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 3ij8_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 0.000 175.990 175.900 0.150 0.000 1.272 2 Y CA 0.000 58.201 58.100 0.168 0.000 1.940 2 Y CB 0.000 38.491 38.460 0.051 0.000 1.050 3 S N 4.069 119.863 115.700 0.156 0.000 2.513 3 S HA 0.230 4.700 4.470 -0.000 0.000 0.276 3 S C -1.950 172.371 174.600 -0.464 0.000 1.254 3 S CA -0.909 57.214 58.200 -0.128 0.000 1.053 3 S CB 1.405 64.570 63.200 -0.057 0.000 0.958 3 S HN -0.024 nan 8.310 nan 0.000 0.491 4 P HA -0.047 nan 4.420 nan 0.000 0.220 4 P C 0.092 177.110 177.300 -0.470 0.000 1.148 4 P CA 0.681 62.834 63.100 -1.578 0.000 0.803 4 P CB -0.052 30.552 31.700 -1.826 0.000 0.782 5 N N -2.753 115.804 118.700 -0.239 0.000 2.829 5 N HA -0.102 4.637 4.740 -0.000 0.000 0.250 5 N C -0.111 175.456 175.510 0.095 0.000 1.090 5 N CA 1.461 54.509 53.050 -0.003 0.000 0.781 5 N CB -2.375 36.118 38.487 0.010 0.000 1.124 5 N HN 0.332 nan 8.380 nan 0.000 0.559 6 T N -2.443 112.122 114.554 0.019 0.000 2.828 6 T HA 0.280 4.630 4.350 -0.000 0.000 0.290 6 T C 0.549 175.278 174.700 0.049 0.000 1.019 6 T CA -0.468 61.678 62.100 0.077 0.000 1.031 6 T CB 1.819 70.748 68.868 0.103 0.000 1.001 6 T HN 0.158 nan 8.240 nan 0.000 0.531 7 Q N 0.642 120.463 119.800 0.036 0.000 2.395 7 Q HA 0.075 4.415 4.340 -0.000 0.000 0.271 7 Q C 0.066 176.073 176.000 0.012 0.000 1.026 7 Q CA -0.345 55.465 55.803 0.012 0.000 0.900 7 Q CB 0.493 29.228 28.738 -0.005 0.000 1.266 7 Q HN 0.636 nan 8.270 nan 0.000 0.430 8 Q N 1.129 120.932 119.800 0.006 0.000 2.269 8 Q HA 0.124 4.464 4.340 -0.000 0.000 0.300 8 Q C 0.584 176.581 176.000 -0.004 0.000 1.070 8 Q CA 1.886 57.690 55.803 0.002 0.000 0.957 8 Q CB 0.059 28.796 28.738 -0.001 0.000 1.131 8 Q HN 0.832 nan 8.270 nan 0.000 0.377 9 G N 3.883 112.679 108.800 -0.007 0.000 2.259 9 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.217 9 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.217 9 G C -0.200 174.684 174.900 -0.027 0.000 1.001 9 G CA -0.063 45.025 45.100 -0.021 0.000 0.627 9 G HN 0.566 nan 8.290 nan 0.000 0.501 10 R N 1.260 121.756 120.500 -0.006 0.000 2.229 10 R HA 0.526 4.866 4.340 -0.000 0.000 0.328 10 R C 0.954 177.268 176.300 0.023 0.000 1.009 10 R CA 0.423 56.519 56.100 -0.006 0.000 0.864 10 R CB 0.911 31.225 30.300 0.024 0.000 1.085 10 R HN 0.331 nan 8.270 nan 0.000 0.453 11 T N -2.469 112.057 114.554 -0.046 0.000 3.132 11 T HA 0.234 4.583 4.350 -0.000 0.000 0.274 11 T C 0.365 174.836 174.700 -0.383 0.000 1.011 11 T CA -0.289 61.769 62.100 -0.070 0.000 0.899 11 T CB 0.433 69.242 68.868 -0.098 0.000 1.089 11 T HN 0.267 nan 8.240 nan 0.000 0.543 12 S N 1.134 116.646 115.700 -0.313 0.000 2.588 12 S HA 0.797 5.266 4.470 -0.000 0.000 0.275 12 S C -0.905 173.612 174.600 -0.139 0.000 1.130 12 S CA -1.073 56.844 58.200 -0.472 0.000 0.855 12 S CB 1.708 64.701 63.200 -0.345 0.000 1.116 12 S HN 0.585 nan 8.310 nan 0.000 0.472 13 I N -0.993 119.503 120.570 -0.122 0.000 2.740 13 I HA 0.920 5.090 4.170 -0.000 0.000 0.303 13 I C -0.941 175.227 176.117 0.084 0.000 1.044 13 I CA -1.086 60.265 61.300 0.084 0.000 1.064 13 I CB 1.794 39.847 38.000 0.089 0.000 1.249 13 I HN 0.412 nan 8.210 nan 0.000 0.433 14 V N 3.556 123.535 119.914 0.110 0.000 2.604 14 V HA 0.413 4.532 4.120 -0.000 0.000 0.305 14 V C -1.033 175.070 176.094 0.015 0.000 1.043 14 V CA -0.357 61.962 62.300 0.032 0.000 0.888 14 V CB 1.581 33.331 31.823 -0.121 0.000 0.995 14 V HN 0.869 nan 8.190 nan 0.000 0.429 15 H N 6.903 125.925 119.070 -0.081 0.000 2.911 15 H HA 0.385 4.941 4.556 -0.001 0.000 0.273 15 H C -0.270 174.981 175.328 -0.129 0.000 1.157 15 H CA -0.497 55.526 56.048 -0.042 0.000 1.402 15 H CB 0.326 30.095 29.762 0.012 0.000 1.463 15 H HN 0.613 nan 8.280 nan 0.000 0.475 16 L N 6.939 128.053 121.223 -0.181 0.000 2.423 16 L HA 0.074 4.414 4.340 -0.000 0.000 0.249 16 L C 0.141 176.882 176.870 -0.214 0.000 1.276 16 L CA -0.574 53.859 54.840 -0.678 0.000 1.199 16 L CB -0.793 40.576 42.059 -1.150 0.000 1.407 16 L HN 0.453 nan 8.230 nan 0.000 0.410 17 F N 4.200 123.911 119.950 -0.399 0.000 2.571 17 F HA -0.044 4.482 4.527 -0.001 0.000 0.390 17 F C 1.370 177.390 175.800 0.367 0.000 1.043 17 F CA 0.242 58.095 58.000 -0.245 0.000 1.164 17 F CB -0.139 38.597 39.000 -0.441 0.000 1.049 17 F HN 0.495 nan 8.300 nan 0.000 0.552 18 E N 2.492 122.718 120.200 0.043 0.000 3.496 18 E HA -0.301 4.049 4.350 -0.000 0.000 0.300 18 E C -0.553 176.162 176.600 0.191 0.000 0.877 18 E CA 0.883 57.279 56.400 -0.006 0.000 1.050 18 E CB -1.659 27.897 29.700 -0.239 0.000 1.532 18 E HN 0.622 nan 8.360 nan 0.000 0.447 19 W N 1.597 122.831 121.300 -0.111 0.000 2.170 19 W HA 0.199 4.859 4.660 -0.001 0.000 0.336 19 W C 1.448 177.797 176.519 -0.283 0.000 1.283 19 W CA -0.012 57.154 57.345 -0.299 0.000 1.224 19 W CB 0.276 29.559 29.460 -0.295 0.000 1.132 19 W HN -0.092 nan 8.180 nan 0.000 0.571 20 R N 1.854 122.271 120.500 -0.137 0.000 2.539 20 R HA 0.095 4.435 4.340 -0.000 0.000 0.275 20 R C 1.006 177.322 176.300 0.027 0.000 1.077 20 R CA -0.326 55.623 56.100 -0.253 0.000 1.097 20 R CB 0.513 30.690 30.300 -0.205 0.000 1.018 20 R HN 0.688 nan 8.270 nan 0.000 0.483 21 W N 0.677 122.020 121.300 0.072 0.000 2.338 21 W HA -0.221 4.439 4.660 -0.000 0.000 0.304 21 W C 1.936 178.464 176.519 0.015 0.000 1.212 21 W CA 0.188 57.563 57.345 0.050 0.000 1.264 21 W CB -0.323 29.182 29.460 0.074 0.000 1.142 21 W HN 0.432 nan 8.180 nan 0.000 0.512 22 V N 1.093 121.140 119.914 0.221 0.000 2.490 22 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 22 V C 1.681 177.824 176.094 0.081 0.000 1.061 22 V CA 2.362 64.733 62.300 0.117 0.000 1.064 22 V CB -0.504 31.357 31.823 0.064 0.000 0.670 22 V HN 0.052 nan 8.190 nan 0.000 0.461 23 D N -0.191 120.247 120.400 0.063 0.000 2.149 23 D HA -0.034 4.606 4.640 -0.000 0.000 0.201 23 D C 2.050 178.478 176.300 0.212 0.000 0.972 23 D CA 1.486 55.509 54.000 0.039 0.000 0.835 23 D CB -0.071 40.624 40.800 -0.175 0.000 0.966 23 D HN 0.495 nan 8.370 nan 0.000 0.476 24 I N 1.137 121.870 120.570 0.270 0.000 2.252 24 I HA -0.213 3.956 4.170 -0.000 0.000 0.245 24 I C 2.479 178.640 176.117 0.073 0.000 1.102 24 I CA 0.742 62.157 61.300 0.192 0.000 1.385 24 I CB -0.192 37.911 38.000 0.172 0.000 1.064 24 I HN -0.093 nan 8.210 nan 0.000 0.414 25 A N 1.223 124.083 122.820 0.066 0.000 1.883 25 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 25 A C 2.291 179.890 177.584 0.025 0.000 1.186 25 A CA 1.582 53.626 52.037 0.012 0.000 0.624 25 A CB -0.899 18.112 19.000 0.018 0.000 0.822 25 A HN 0.377 nan 8.150 nan 0.000 0.444 26 L N -1.176 120.078 121.223 0.051 0.000 2.056 26 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 26 L C 2.637 179.551 176.870 0.073 0.000 1.078 26 L CA 1.667 56.538 54.840 0.052 0.000 0.749 26 L CB -0.439 41.648 42.059 0.046 0.000 0.901 26 L HN 0.450 nan 8.230 nan 0.000 0.433 27 E N -0.323 119.940 120.200 0.104 0.000 2.110 27 E HA -0.211 4.138 4.350 -0.000 0.000 0.193 27 E C 2.251 178.887 176.600 0.060 0.000 0.988 27 E CA 1.431 57.902 56.400 0.117 0.000 0.804 27 E CB -0.260 29.526 29.700 0.143 0.000 0.745 27 E HN 0.424 nan 8.360 nan 0.000 0.458 28 c N 0.480 119.085 118.600 0.008 0.000 2.413 28 c HA -0.115 4.455 4.570 -0.000 0.000 0.276 28 c C 2.364 176.462 174.090 0.014 0.000 1.236 28 c CA 1.289 57.608 56.329 -0.017 0.000 1.735 28 c CB -0.863 41.613 42.510 -0.056 0.000 2.031 28 c HN 0.541 nan 8.230 nan 0.000 0.474 29 E N 0.190 120.404 120.200 0.023 0.000 2.076 29 E HA -0.136 4.213 4.350 -0.000 0.000 0.190 29 E C 2.358 178.989 176.600 0.052 0.000 0.979 29 E CA 0.780 57.196 56.400 0.028 0.000 0.807 29 E CB -0.202 29.511 29.700 0.023 0.000 0.761 29 E HN 0.685 nan 8.360 nan 0.000 0.454 30 R N -0.968 119.582 120.500 0.083 0.000 2.246 30 R HA 0.003 4.342 4.340 -0.000 0.000 0.199 30 R C 1.042 177.454 176.300 0.187 0.000 0.984 30 R CA 0.938 57.106 56.100 0.114 0.000 1.015 30 R CB 0.141 30.512 30.300 0.118 0.000 0.930 30 R HN 0.230 nan 8.270 nan 0.000 0.475 31 Y N -0.120 120.198 120.300 0.030 0.000 3.006 31 Y HA 0.258 4.808 4.550 -0.000 0.000 0.236 31 Y C 1.766 177.692 175.900 0.044 0.000 1.088 31 Y CA -0.237 57.887 58.100 0.041 0.000 1.307 31 Y CB 0.263 38.743 38.460 0.033 0.000 1.445 31 Y HN -0.167 nan 8.280 nan 0.000 0.433 32 L N 0.334 121.643 121.223 0.143 0.000 2.012 32 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 32 L C 2.604 179.564 176.870 0.151 0.000 1.073 32 L CA 1.654 56.536 54.840 0.069 0.000 0.748 32 L CB -0.944 41.080 42.059 -0.058 0.000 0.891 32 L HN 0.364 nan 8.230 nan 0.000 0.431 33 A N 0.493 123.356 122.820 0.070 0.000 1.858 33 A HA -0.103 4.216 4.320 -0.000 0.000 0.216 33 A C 0.082 177.687 177.584 0.035 0.000 1.190 33 A CA 1.617 53.683 52.037 0.048 0.000 0.617 33 A CB -1.885 17.125 19.000 0.016 0.000 0.827 33 A HN 0.303 nan 8.150 nan 0.000 0.443 34 P HA -0.089 nan 4.420 nan 0.000 0.220 34 P C 0.829 178.101 177.300 -0.047 0.000 1.148 34 P CA 1.289 64.371 63.100 -0.030 0.000 0.803 34 P CB 0.006 31.674 31.700 -0.053 0.000 0.782 35 K N -1.576 118.800 120.400 -0.041 0.000 2.444 35 K HA 0.306 4.625 4.320 -0.000 0.000 0.193 35 K C 1.189 177.825 176.600 0.059 0.000 1.024 35 K CA 0.636 56.921 56.287 -0.003 0.000 1.077 35 K CB -0.723 31.788 32.500 0.019 0.000 0.833 35 K HN 0.117 nan 8.250 nan 0.000 0.517 36 G N 0.418 109.263 108.800 0.075 0.000 2.147 36 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 36 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 36 G C -0.218 174.676 174.900 -0.010 0.000 1.005 36 G CA -0.367 44.737 45.100 0.008 0.000 0.713 36 G HN 0.176 nan 8.290 nan 0.000 0.515 37 F N 0.578 120.528 119.950 -0.001 0.000 2.484 37 F HA 0.482 5.009 4.527 -0.001 0.000 0.360 37 F C 1.832 177.642 175.800 0.016 0.000 1.101 37 F CA 1.004 59.011 58.000 0.012 0.000 1.251 37 F CB 1.299 40.316 39.000 0.028 0.000 1.132 37 F HN 0.001 nan 8.300 nan 0.000 0.570 38 G N 1.479 110.381 108.800 0.170 0.000 2.430 38 G HA2 0.394 4.354 3.960 -0.000 0.000 0.216 38 G HA3 0.394 4.354 3.960 -0.000 0.000 0.216 38 G C 0.500 175.532 174.900 0.220 0.000 1.146 38 G CA 0.673 45.873 45.100 0.168 0.000 0.793 38 G HN 1.025 nan 8.290 nan 0.000 0.537 39 G N -2.083 106.877 108.800 0.266 0.000 2.430 39 G HA2 0.455 4.415 3.960 -0.000 0.000 0.300 39 G HA3 0.455 4.415 3.960 -0.000 0.000 0.300 39 G C -2.215 172.826 174.900 0.235 0.000 1.330 39 G CA -0.259 45.017 45.100 0.293 0.000 0.813 39 G HN 0.484 nan 8.290 nan 0.000 0.487 40 V N 0.423 120.464 119.914 0.212 0.000 2.638 40 V HA 0.542 4.662 4.120 -0.000 0.000 0.306 40 V C -0.168 176.067 176.094 0.235 0.000 1.052 40 V CA -0.655 61.713 62.300 0.113 0.000 0.885 40 V CB 1.650 33.441 31.823 -0.054 0.000 0.999 40 V HN 0.858 nan 8.190 nan 0.000 0.424 41 Q N 3.519 123.458 119.800 0.231 0.000 2.296 41 Q HA 0.592 4.932 4.340 -0.000 0.000 0.257 41 Q C -0.596 175.571 176.000 0.278 0.000 0.942 41 Q CA -0.423 55.534 55.803 0.257 0.000 0.939 41 Q CB 1.715 30.540 28.738 0.145 0.000 1.198 41 Q HN 0.809 nan 8.270 nan 0.000 0.429 42 V N 1.271 121.340 119.914 0.257 0.000 2.834 42 V HA 0.568 4.688 4.120 -0.000 0.000 0.313 42 V C 0.141 176.496 176.094 0.435 0.000 1.060 42 V CA -0.833 61.689 62.300 0.371 0.000 0.989 42 V CB 1.664 33.669 31.823 0.304 0.000 1.041 42 V HN 0.764 nan 8.190 nan 0.000 0.459 43 S N 3.133 119.156 115.700 0.538 0.000 2.589 43 S HA 0.314 4.784 4.470 -0.000 0.000 0.265 43 S C -2.357 172.466 174.600 0.372 0.000 1.342 43 S CA -0.294 58.162 58.200 0.426 0.000 1.005 43 S CB 0.128 63.514 63.200 0.310 0.000 0.909 43 S HN 0.858 nan 8.310 nan 0.000 0.555 44 P HA 0.045 nan 4.420 nan 0.000 0.258 44 P C -1.924 175.522 177.300 0.243 0.000 1.172 44 P CA -0.708 62.480 63.100 0.146 0.000 0.762 44 P CB 0.022 31.689 31.700 -0.055 0.000 0.764 45 P HA -0.040 nan 4.420 nan 0.000 0.255 45 P C -0.186 177.193 177.300 0.132 0.000 1.248 45 P CA 0.577 63.831 63.100 0.256 0.000 0.807 45 P CB 0.190 31.735 31.700 -0.258 0.000 1.150 46 N N 0.507 119.269 118.700 0.103 0.000 2.508 46 N HA 0.055 4.795 4.740 -0.000 0.000 0.285 46 N C -0.217 175.265 175.510 -0.047 0.000 1.144 46 N CA -0.486 52.564 53.050 -0.001 0.000 0.978 46 N CB 1.359 39.757 38.487 -0.149 0.000 1.180 46 N HN -0.043 nan 8.380 nan 0.000 0.484 47 E N 0.515 120.668 120.200 -0.078 0.000 2.529 47 E HA -0.098 4.252 4.350 -0.000 0.000 0.259 47 E C -0.381 176.129 176.600 -0.151 0.000 0.966 47 E CA 0.069 56.412 56.400 -0.096 0.000 0.937 47 E CB 0.281 29.927 29.700 -0.091 0.000 0.923 47 E HN 0.739 nan 8.360 nan 0.000 0.468 48 N N 1.922 120.535 118.700 -0.145 0.000 2.577 48 N HA 0.246 4.986 4.740 -0.000 0.000 0.285 48 N C -0.903 174.485 175.510 -0.203 0.000 1.309 48 N CA -0.767 52.181 53.050 -0.171 0.000 0.798 48 N CB 1.016 39.424 38.487 -0.132 0.000 1.463 48 N HN 0.174 nan 8.380 nan 0.000 0.518 49 V N 0.313 120.102 119.914 -0.209 0.000 2.637 49 V HA 0.298 4.418 4.120 -0.000 0.000 0.296 49 V C 0.673 176.688 176.094 -0.132 0.000 1.046 49 V CA -0.504 61.690 62.300 -0.176 0.000 1.066 49 V CB 0.573 32.351 31.823 -0.076 0.000 0.968 49 V HN 0.840 nan 8.190 nan 0.000 0.483 50 A N 7.169 129.934 122.820 -0.092 0.000 2.343 50 A HA 0.614 4.933 4.320 -0.000 0.000 0.305 50 A C -0.262 177.145 177.584 -0.295 0.000 1.308 50 A CA -0.294 51.601 52.037 -0.236 0.000 0.949 50 A CB -0.377 18.543 19.000 -0.132 0.000 1.148 50 A HN 0.763 nan 8.150 nan 0.000 0.545 51 I N 2.481 122.793 120.570 -0.430 0.000 2.315 51 I HA 0.211 4.380 4.170 -0.000 0.000 0.291 51 I C -0.107 175.678 176.117 -0.554 0.000 1.006 51 I CA -0.089 61.007 61.300 -0.339 0.000 1.265 51 I CB 1.128 38.954 38.000 -0.289 0.000 1.387 51 I HN 0.774 nan 8.210 nan 0.000 0.475 52 Y N 3.222 123.445 120.300 -0.128 0.000 2.449 52 Y HA 0.189 4.739 4.550 -0.001 0.000 0.254 52 Y C 0.697 176.576 175.900 -0.035 0.000 1.140 52 Y CA -0.266 57.787 58.100 -0.078 0.000 1.272 52 Y CB 0.312 38.782 38.460 0.018 0.000 1.114 52 Y HN 0.499 nan 8.280 nan 0.000 0.525 53 N N 1.497 120.205 118.700 0.013 0.000 2.609 53 N HA 0.240 4.980 4.740 -0.000 0.000 0.268 53 N C -2.866 172.568 175.510 -0.126 0.000 1.106 53 N CA -1.961 51.058 53.050 -0.051 0.000 0.823 53 N CB 1.108 39.599 38.487 0.007 0.000 1.263 53 N HN -0.144 nan 8.380 nan 0.000 0.533 54 P HA 0.155 nan 4.420 nan 0.000 0.275 54 P C -0.527 176.571 177.300 -0.337 0.000 1.270 54 P CA -0.375 62.358 63.100 -0.613 0.000 0.791 54 P CB 0.579 31.315 31.700 -1.607 0.000 1.089 55 F N 2.045 121.821 119.950 -0.290 0.000 2.462 55 F HA 0.135 4.662 4.527 -0.001 0.000 0.360 55 F C 0.708 176.490 175.800 -0.029 0.000 1.134 55 F CA -0.251 57.721 58.000 -0.046 0.000 1.148 55 F CB -0.170 38.892 39.000 0.105 0.000 1.147 55 F HN 0.196 nan 8.300 nan 0.000 0.550 56 R N 3.695 123.726 120.500 -0.783 0.000 3.022 56 R HA -0.159 4.181 4.340 -0.000 0.000 0.248 56 R C -2.662 173.387 176.300 -0.418 0.000 0.874 56 R CA 0.177 55.844 56.100 -0.720 0.000 0.626 56 R CB -2.373 27.402 30.300 -0.875 0.000 1.255 56 R HN 0.395 nan 8.270 nan 0.000 0.496 57 P HA -0.022 nan 4.420 nan 0.000 0.272 57 P C 1.490 178.441 177.300 -0.582 0.000 1.230 57 P CA -0.483 62.251 63.100 -0.610 0.000 0.788 57 P CB 0.237 30.998 31.700 -1.564 0.000 0.949 58 W N 3.014 124.160 121.300 -0.257 0.000 2.374 58 W HA -0.110 4.549 4.660 -0.001 0.000 0.288 58 W C 1.595 178.195 176.519 0.135 0.000 1.218 58 W CA 0.795 58.125 57.345 -0.026 0.000 1.245 58 W CB -1.765 27.845 29.460 0.249 0.000 1.126 58 W HN 0.455 nan 8.180 nan 0.000 0.545 59 W N 3.375 124.186 121.300 -0.815 0.000 2.825 59 W HA 0.007 4.667 4.660 -0.000 0.000 0.243 59 W C 1.620 178.052 176.519 -0.146 0.000 1.293 59 W CA 0.914 57.888 57.345 -0.619 0.000 1.403 59 W CB -1.419 27.347 29.460 -1.158 0.000 1.134 59 W HN 0.222 nan 8.180 nan 0.000 0.666 60 E N 1.863 121.964 120.200 -0.166 0.000 2.268 60 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 60 E C 1.834 178.421 176.600 -0.022 0.000 0.995 60 E CA 0.853 57.205 56.400 -0.080 0.000 0.836 60 E CB -0.546 28.973 29.700 -0.302 0.000 0.763 60 E HN 0.243 nan 8.360 nan 0.000 0.491 61 R N -0.481 119.992 120.500 -0.046 0.000 2.316 61 R HA -0.025 4.315 4.340 -0.000 0.000 0.202 61 R C 0.402 176.528 176.300 -0.290 0.000 1.029 61 R CA 0.660 56.655 56.100 -0.174 0.000 1.018 61 R CB -0.013 30.154 30.300 -0.222 0.000 0.888 61 R HN 0.317 nan 8.270 nan 0.000 0.471 62 Y N 0.221 120.640 120.300 0.199 0.000 2.571 62 Y HA 0.211 4.761 4.550 -0.000 0.000 0.275 62 Y C 0.160 176.215 175.900 0.259 0.000 1.179 62 Y CA -0.080 58.175 58.100 0.258 0.000 1.242 62 Y CB 0.583 39.245 38.460 0.336 0.000 1.126 62 Y HN -0.113 nan 8.280 nan 0.000 0.524 63 Q N 1.351 121.274 119.800 0.206 0.000 2.798 63 Q HA 0.279 4.619 4.340 -0.000 0.000 0.250 63 Q C -2.720 173.281 176.000 0.003 0.000 1.006 63 Q CA -2.068 53.824 55.803 0.149 0.000 0.759 63 Q CB 1.301 30.117 28.738 0.129 0.000 1.201 63 Q HN 0.068 nan 8.270 nan 0.000 0.486 64 P HA -0.043 nan 4.420 nan 0.000 0.269 64 P C 0.188 177.346 177.300 -0.236 0.000 1.209 64 P CA 0.089 63.087 63.100 -0.169 0.000 0.776 64 P CB 1.206 32.780 31.700 -0.209 0.000 0.876 65 V N 0.548 120.291 119.914 -0.285 0.000 3.359 65 V HA 0.118 4.237 4.120 -0.000 0.000 0.245 65 V C 0.823 176.820 176.094 -0.163 0.000 1.247 65 V CA 1.436 63.588 62.300 -0.247 0.000 1.145 65 V CB 0.490 32.029 31.823 -0.475 0.000 0.906 65 V HN 0.820 nan 8.190 nan 0.000 0.464 66 S N -2.210 113.288 115.700 -0.336 0.000 2.703 66 S HA 0.447 4.917 4.470 -0.000 0.000 0.273 66 S C -0.862 173.357 174.600 -0.635 0.000 1.178 66 S CA -0.373 57.557 58.200 -0.450 0.000 0.838 66 S CB 0.869 63.959 63.200 -0.183 0.000 1.178 66 S HN -0.032 nan 8.310 nan 0.000 0.494 67 Y N 0.868 121.025 120.300 -0.238 0.000 2.607 67 Y HA 0.464 5.014 4.550 -0.000 0.000 0.266 67 Y C 0.626 176.449 175.900 -0.128 0.000 1.178 67 Y CA -0.770 57.100 58.100 -0.383 0.000 1.226 67 Y CB -0.136 38.064 38.460 -0.433 0.000 1.144 67 Y HN 0.401 nan 8.280 nan 0.000 0.528 68 K N 0.870 121.282 120.400 0.019 0.000 2.401 68 K HA 0.114 4.434 4.320 -0.000 0.000 0.278 68 K C -0.433 176.209 176.600 0.070 0.000 1.018 68 K CA -0.367 55.965 56.287 0.075 0.000 0.981 68 K CB 0.635 33.163 32.500 0.045 0.000 0.933 68 K HN -0.052 nan 8.250 nan 0.000 0.477 69 L N 4.005 125.283 121.223 0.093 0.000 2.391 69 L HA 0.057 4.396 4.340 -0.000 0.000 0.249 69 L C -0.474 176.462 176.870 0.110 0.000 1.308 69 L CA 0.301 55.164 54.840 0.039 0.000 1.209 69 L CB -0.482 41.521 42.059 -0.092 0.000 1.401 69 L HN 0.598 nan 8.230 nan 0.000 0.416 70 c N 1.805 120.463 118.600 0.097 0.000 2.660 70 c HA 0.743 5.313 4.570 -0.000 0.000 0.336 70 c C 0.392 174.513 174.090 0.051 0.000 1.058 70 c CA -0.071 56.312 56.329 0.091 0.000 1.368 70 c CB 0.054 42.601 42.510 0.063 0.000 1.884 70 c HN 0.859 nan 8.230 nan 0.000 0.454 71 T N 1.733 116.316 114.554 0.049 0.000 2.696 71 T HA 0.488 4.838 4.350 -0.000 0.000 0.291 71 T C 0.949 175.580 174.700 -0.115 0.000 1.095 71 T CA -0.674 61.405 62.100 -0.035 0.000 1.026 71 T CB 1.065 69.922 68.868 -0.018 0.000 1.390 71 T HN 0.506 nan 8.240 nan 0.000 0.513 72 R N 0.100 120.501 120.500 -0.165 0.000 2.285 72 R HA 0.036 4.376 4.340 -0.000 0.000 0.213 72 R C 1.947 178.069 176.300 -0.296 0.000 1.068 72 R CA 0.889 56.874 56.100 -0.193 0.000 1.004 72 R CB -0.383 29.802 30.300 -0.191 0.000 0.873 72 R HN 0.545 nan 8.270 nan 0.000 0.467 73 S N -0.543 114.864 115.700 -0.489 0.000 2.496 73 S HA 0.149 4.619 4.470 -0.000 0.000 0.224 73 S C 0.708 174.707 174.600 -1.002 0.000 0.996 73 S CA 0.631 58.262 58.200 -0.948 0.000 0.927 73 S CB 0.753 62.834 63.200 -1.866 0.000 0.774 73 S HN 0.645 nan 8.310 nan 0.000 0.524 74 G N 1.454 109.957 108.800 -0.495 0.000 2.369 74 G HA2 0.110 4.070 3.960 -0.000 0.000 0.295 74 G HA3 0.110 4.070 3.960 -0.000 0.000 0.295 74 G C -1.334 173.697 174.900 0.219 0.000 1.298 74 G CA -0.643 44.401 45.100 -0.092 0.000 0.940 74 G HN 0.341 nan 8.290 nan 0.000 0.536 75 N N -0.753 118.113 118.700 0.277 0.000 2.538 75 N HA 0.458 5.198 4.740 -0.000 0.000 0.292 75 N C 1.087 176.790 175.510 0.321 0.000 1.262 75 N CA 0.098 53.300 53.050 0.253 0.000 0.976 75 N CB 0.906 39.491 38.487 0.163 0.000 1.161 75 N HN 0.792 nan 8.380 nan 0.000 0.598 76 E N -0.896 119.437 120.200 0.222 0.000 2.110 76 E HA -0.226 4.123 4.350 -0.000 0.000 0.193 76 E C 0.392 177.127 176.600 0.224 0.000 0.988 76 E CA 1.351 57.875 56.400 0.206 0.000 0.804 76 E CB -0.116 29.688 29.700 0.174 0.000 0.745 76 E HN 0.521 nan 8.360 nan 0.000 0.458 77 D N 0.614 121.128 120.400 0.189 0.000 2.097 77 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 77 D C 1.775 178.176 176.300 0.169 0.000 0.989 77 D CA 1.225 55.319 54.000 0.157 0.000 0.827 77 D CB -0.174 40.702 40.800 0.127 0.000 0.966 77 D HN 0.378 nan 8.370 nan 0.000 0.456 78 E N -0.314 120.024 120.200 0.230 0.000 2.106 78 E HA -0.140 4.209 4.350 -0.000 0.000 0.192 78 E C 1.919 178.670 176.600 0.251 0.000 0.984 78 E CA 0.355 56.916 56.400 0.269 0.000 0.806 78 E CB -0.165 29.750 29.700 0.359 0.000 0.750 78 E HN 0.218 nan 8.360 nan 0.000 0.458 79 F N 1.712 121.700 119.950 0.063 0.000 2.113 79 F HA -0.128 4.398 4.527 -0.000 0.000 0.297 79 F C 2.269 177.927 175.800 -0.237 0.000 1.103 79 F CA 1.429 59.204 58.000 -0.376 0.000 1.248 79 F CB 0.106 38.816 39.000 -0.484 0.000 0.999 79 F HN -0.209 nan 8.300 nan 0.000 0.475 80 R N 0.207 120.723 120.500 0.028 0.000 2.081 80 R HA -0.208 4.132 4.340 -0.000 0.000 0.235 80 R C 2.290 178.547 176.300 -0.073 0.000 1.131 80 R CA 1.405 57.494 56.100 -0.018 0.000 0.960 80 R CB -0.920 29.443 30.300 0.105 0.000 0.856 80 R HN 0.438 nan 8.270 nan 0.000 0.436 81 N N 1.013 119.701 118.700 -0.021 0.000 2.104 81 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 81 N C 1.856 177.318 175.510 -0.080 0.000 1.024 81 N CA 1.377 54.421 53.050 -0.010 0.000 0.853 81 N CB -0.006 38.504 38.487 0.038 0.000 1.008 81 N HN 0.229 nan 8.380 nan 0.000 0.424 82 M N 0.713 120.218 119.600 -0.159 0.000 2.099 82 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 82 M C 1.959 178.050 176.300 -0.349 0.000 1.067 82 M CA 1.328 56.494 55.300 -0.224 0.000 1.124 82 M CB -0.101 32.339 32.600 -0.266 0.000 1.353 82 M HN -0.042 nan 8.290 nan 0.000 0.410 83 V N 0.633 120.229 119.914 -0.529 0.000 2.343 83 V HA -0.261 3.858 4.120 -0.000 0.000 0.247 83 V C 2.326 178.146 176.094 -0.457 0.000 1.051 83 V CA 2.336 64.305 62.300 -0.553 0.000 1.036 83 V CB -1.232 30.225 31.823 -0.610 0.000 0.654 83 V HN 0.594 nan 8.190 nan 0.000 0.451 84 T N -0.431 113.979 114.554 -0.240 0.000 2.737 84 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 84 T C 2.094 176.753 174.700 -0.067 0.000 1.038 84 T CA 1.533 63.612 62.100 -0.035 0.000 1.144 84 T CB -0.223 68.753 68.868 0.181 0.000 0.866 84 T HN 0.403 nan 8.240 nan 0.000 0.434 85 R N 0.025 120.477 120.500 -0.080 0.000 2.092 85 R HA -0.018 4.321 4.340 -0.000 0.000 0.231 85 R C 2.771 179.001 176.300 -0.118 0.000 1.119 85 R CA 1.243 57.308 56.100 -0.059 0.000 0.970 85 R CB -0.661 29.615 30.300 -0.040 0.000 0.864 85 R HN 0.375 nan 8.270 nan 0.000 0.440 86 c N 0.535 119.015 118.600 -0.199 0.000 2.453 86 c HA -0.009 4.561 4.570 -0.000 0.000 0.277 86 c C 2.296 176.207 174.090 -0.297 0.000 1.262 86 c CA 0.422 56.619 56.329 -0.220 0.000 1.718 86 c CB -0.930 41.427 42.510 -0.254 0.000 2.031 86 c HN 0.510 nan 8.230 nan 0.000 0.480 87 N N 1.596 119.992 118.700 -0.507 0.000 2.149 87 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 87 N C 1.302 176.538 175.510 -0.458 0.000 1.019 87 N CA 1.108 53.693 53.050 -0.775 0.000 0.857 87 N CB -0.632 36.762 38.487 -1.821 0.000 0.997 87 N HN 0.496 nan 8.380 nan 0.000 0.426 88 N N 0.199 118.791 118.700 -0.179 0.000 2.453 88 N HA -0.076 4.663 4.740 -0.000 0.000 0.183 88 N C 1.213 176.716 175.510 -0.011 0.000 1.041 88 N CA 0.524 53.606 53.050 0.053 0.000 0.900 88 N CB 0.138 38.693 38.487 0.113 0.000 0.961 88 N HN 0.250 nan 8.380 nan 0.000 0.443 89 V N -4.530 115.343 119.914 -0.068 0.000 3.214 89 V HA 0.547 4.667 4.120 -0.000 0.000 0.330 89 V C 1.087 177.145 176.094 -0.060 0.000 1.403 89 V CA 0.053 62.326 62.300 -0.045 0.000 1.143 89 V CB -0.039 31.765 31.823 -0.031 0.000 1.098 89 V HN 0.140 nan 8.190 nan 0.000 0.463 90 G N 0.337 109.074 108.800 -0.106 0.000 2.147 90 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 90 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 90 G C -0.055 174.793 174.900 -0.086 0.000 1.005 90 G CA 0.179 45.217 45.100 -0.104 0.000 0.713 90 G HN 0.917 nan 8.290 nan 0.000 0.515 91 V N 1.907 121.751 119.914 -0.117 0.000 2.409 91 V HA 0.589 4.709 4.120 -0.000 0.000 0.291 91 V C 0.522 176.522 176.094 -0.155 0.000 1.020 91 V CA -1.314 60.939 62.300 -0.078 0.000 0.848 91 V CB 1.484 33.274 31.823 -0.054 0.000 0.990 91 V HN 0.335 nan 8.190 nan 0.000 0.430 92 R N 4.088 124.524 120.500 -0.106 0.000 2.577 92 R HA 0.561 4.901 4.340 -0.000 0.000 0.269 92 R C -0.651 175.436 176.300 -0.355 0.000 1.084 92 R CA -0.700 55.248 56.100 -0.253 0.000 1.163 92 R CB 1.020 31.173 30.300 -0.245 0.000 1.100 92 R HN 0.419 nan 8.270 nan 0.000 0.547 93 I N 2.471 122.693 120.570 -0.581 0.000 2.436 93 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 93 I C -0.743 174.932 176.117 -0.737 0.000 1.010 93 I CA -0.936 60.058 61.300 -0.509 0.000 1.098 93 I CB 1.179 38.896 38.000 -0.472 0.000 1.266 93 I HN 0.427 nan 8.210 nan 0.000 0.434 94 Y N 4.743 124.990 120.300 -0.088 0.000 2.341 94 Y HA 0.490 5.040 4.550 -0.000 0.000 0.338 94 Y C 0.226 176.068 175.900 -0.097 0.000 0.965 94 Y CA -0.947 57.096 58.100 -0.094 0.000 1.108 94 Y CB 1.941 40.488 38.460 0.145 0.000 1.180 94 Y HN 0.181 nan 8.280 nan 0.000 0.458 95 V N 3.104 122.949 119.914 -0.115 0.000 2.439 95 V HA 0.100 4.219 4.120 -0.000 0.000 0.282 95 V C -0.172 176.001 176.094 0.131 0.000 1.039 95 V CA -0.729 61.586 62.300 0.025 0.000 0.913 95 V CB 1.437 33.258 31.823 -0.002 0.000 0.983 95 V HN 0.675 nan 8.190 nan 0.000 0.460 96 D N 4.419 124.915 120.400 0.160 0.000 2.359 96 D HA 0.290 4.929 4.640 -0.000 0.000 0.250 96 D C 0.146 176.573 176.300 0.211 0.000 1.264 96 D CA -0.021 54.077 54.000 0.164 0.000 0.911 96 D CB 1.041 41.970 40.800 0.215 0.000 1.056 96 D HN 0.670 nan 8.370 nan 0.000 0.499 97 A N 4.066 127.000 122.820 0.190 0.000 2.279 97 A HA 0.374 4.694 4.320 -0.000 0.000 0.306 97 A C -0.043 177.628 177.584 0.146 0.000 1.300 97 A CA -0.640 51.511 52.037 0.191 0.000 0.925 97 A CB 0.602 19.633 19.000 0.052 0.000 1.152 97 A HN 0.369 nan 8.150 nan 0.000 0.544 98 V N 5.488 125.498 119.914 0.160 0.000 2.284 98 V HA 0.170 4.289 4.120 -0.000 0.000 0.260 98 V C 0.795 176.872 176.094 -0.028 0.000 1.084 98 V CA 0.296 62.627 62.300 0.052 0.000 0.894 98 V CB -0.450 31.411 31.823 0.064 0.000 1.119 98 V HN 0.873 nan 8.190 nan 0.000 0.484 99 I N 0.507 121.046 120.570 -0.051 0.000 4.240 99 I HA 0.353 4.523 4.170 -0.000 0.000 0.331 99 I C 1.491 177.572 176.117 -0.059 0.000 1.381 99 I CA 0.227 61.511 61.300 -0.026 0.000 1.136 99 I CB 0.160 38.145 38.000 -0.025 0.000 1.137 99 I HN 0.458 nan 8.210 nan 0.000 0.411 100 N N 1.530 120.164 118.700 -0.110 0.000 2.416 100 N HA -0.050 4.690 4.740 -0.000 0.000 0.177 100 N C 0.506 176.051 175.510 0.059 0.000 1.036 100 N CA 0.799 53.860 53.050 0.019 0.000 0.901 100 N CB 0.193 38.782 38.487 0.170 0.000 0.976 100 N HN 0.677 nan 8.380 nan 0.000 0.444 101 H N -3.395 115.705 119.070 0.050 0.000 2.960 101 H HA 0.305 4.861 4.556 -0.000 0.000 0.323 101 H C -0.589 174.746 175.328 0.011 0.000 1.326 101 H CA -0.940 55.132 56.048 0.039 0.000 1.124 101 H CB 0.562 30.346 29.762 0.036 0.000 1.853 101 H HN -0.181 nan 8.280 nan 0.000 0.536 102 M N 0.830 120.526 119.600 0.161 0.000 2.391 102 M HA 0.302 4.782 4.480 -0.000 0.000 0.228 102 M C 1.040 177.409 176.300 0.115 0.000 0.847 102 M CA -0.463 54.812 55.300 -0.042 0.000 1.605 102 M CB 0.308 32.634 32.600 -0.456 0.000 1.220 102 M HN 0.880 nan 8.290 nan 0.000 0.822 103 C N -0.109 119.240 119.300 0.081 0.000 2.480 103 C HA 0.753 5.213 4.460 -0.000 0.000 0.344 103 C C 1.023 176.087 174.990 0.124 0.000 1.380 103 C CA -0.978 58.124 59.018 0.140 0.000 2.386 103 C CB -0.706 27.124 27.740 0.150 0.000 2.210 103 C HN 0.850 nan 8.230 nan 0.000 0.640 104 G N 1.570 110.425 108.800 0.091 0.000 2.414 104 G HA2 0.141 4.101 3.960 -0.000 0.000 0.236 104 G HA3 0.141 4.101 3.960 -0.000 0.000 0.236 104 G C 0.946 175.875 174.900 0.050 0.000 1.293 104 G CA 0.267 45.389 45.100 0.036 0.000 0.869 104 G HN 1.051 nan 8.290 nan 0.000 0.556 105 N N 1.525 120.223 118.700 -0.003 0.000 2.453 105 N HA -0.103 4.636 4.740 -0.000 0.000 0.183 105 N C 1.637 177.134 175.510 -0.021 0.000 1.041 105 N CA 1.060 54.096 53.050 -0.024 0.000 0.900 105 N CB 0.078 38.529 38.487 -0.060 0.000 0.961 105 N HN 0.427 nan 8.380 nan 0.000 0.443 106 A N 0.756 123.569 122.820 -0.012 0.000 2.308 106 A HA 0.293 4.612 4.320 -0.000 0.000 0.217 106 A C 0.771 178.355 177.584 0.000 0.000 1.216 106 A CA -0.365 51.662 52.037 -0.017 0.000 0.864 106 A CB 0.127 19.114 19.000 -0.021 0.000 0.902 106 A HN 0.098 nan 8.150 nan 0.000 0.499 107 V N 1.619 121.556 119.914 0.038 0.000 2.673 107 V HA 0.044 4.163 4.120 -0.000 0.000 0.303 107 V C 0.857 176.948 176.094 -0.005 0.000 1.046 107 V CA 0.040 62.383 62.300 0.072 0.000 1.126 107 V CB 0.973 32.913 31.823 0.195 0.000 0.934 107 V HN 0.420 nan 8.190 nan 0.000 0.487 108 S N 3.418 119.098 115.700 -0.035 0.000 2.549 108 S HA 0.404 4.874 4.470 -0.000 0.000 0.286 108 S C 0.486 174.892 174.600 -0.325 0.000 1.314 108 S CA -0.150 57.974 58.200 -0.127 0.000 1.062 108 S CB 0.814 63.964 63.200 -0.083 0.000 0.865 108 S HN 1.066 nan 8.310 nan 0.000 0.498 109 A N 2.487 125.077 122.820 -0.384 0.000 2.386 109 A HA 0.739 5.059 4.320 -0.000 0.000 0.248 109 A C 0.960 178.187 177.584 -0.594 0.000 1.082 109 A CA 0.387 52.032 52.037 -0.655 0.000 0.789 109 A CB -0.151 18.588 19.000 -0.434 0.000 1.025 109 A HN 1.281 nan 8.150 nan 0.000 0.490 110 G N -0.577 107.698 108.800 -0.875 0.000 2.347 110 G HA2 0.372 4.331 3.960 -0.000 0.000 0.224 110 G HA3 0.372 4.331 3.960 -0.000 0.000 0.224 110 G C 0.048 174.748 174.900 -0.333 0.000 1.318 110 G CA 0.529 45.395 45.100 -0.390 0.000 1.016 110 G HN 1.629 nan 8.290 nan 0.000 0.469 111 T N -2.157 112.386 114.554 -0.018 0.000 3.296 111 T HA 0.507 4.857 4.350 -0.000 0.000 0.285 111 T C 0.791 175.616 174.700 0.208 0.000 1.014 111 T CA 0.935 63.124 62.100 0.149 0.000 0.920 111 T CB 0.748 69.709 68.868 0.154 0.000 1.143 111 T HN 0.968 nan 8.240 nan 0.000 0.522 112 S N 3.053 118.896 115.700 0.239 0.000 4.175 112 S HA 0.419 4.889 4.470 -0.000 0.000 0.193 112 S C 0.292 175.077 174.600 0.308 0.000 1.373 112 S CA -0.551 57.814 58.200 0.274 0.000 0.908 112 S CB -0.979 62.375 63.200 0.256 0.000 1.547 112 S HN 0.753 nan 8.310 nan 0.000 0.440 113 S N 0.810 116.636 115.700 0.210 0.000 2.632 113 S HA 0.407 4.877 4.470 -0.000 0.000 0.289 113 S C 1.128 175.742 174.600 0.023 0.000 1.115 113 S CA -0.407 57.828 58.200 0.058 0.000 0.889 113 S CB 1.131 64.347 63.200 0.027 0.000 1.116 113 S HN 0.445 nan 8.310 nan 0.000 0.486 114 T N -3.212 111.319 114.554 -0.038 0.000 3.051 114 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 114 T C 1.089 175.789 174.700 0.001 0.000 1.127 114 T CA 0.900 62.979 62.100 -0.034 0.000 1.107 114 T CB -0.594 68.233 68.868 -0.068 0.000 0.898 114 T HN 0.625 nan 8.240 nan 0.000 0.517 115 c N 0.729 119.338 118.600 0.015 0.000 3.385 115 c HA 0.674 5.244 4.570 -0.000 0.000 0.288 115 c C 2.030 176.155 174.090 0.060 0.000 1.429 115 c CA -0.139 56.212 56.329 0.036 0.000 1.778 115 c CB -1.002 41.529 42.510 0.034 0.000 2.503 115 c HN 0.882 nan 8.230 nan 0.000 0.646 116 G N 1.603 110.449 108.800 0.077 0.000 2.162 116 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.260 116 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.260 116 G C 0.213 175.195 174.900 0.137 0.000 0.976 116 G CA 0.621 45.785 45.100 0.106 0.000 0.655 116 G HN 0.580 nan 8.290 nan 0.000 0.533 117 S N -0.347 115.433 115.700 0.134 0.000 2.562 117 S HA 0.418 4.887 4.470 -0.000 0.000 0.281 117 S C 0.059 174.828 174.600 0.282 0.000 1.333 117 S CA -0.333 57.970 58.200 0.171 0.000 1.052 117 S CB 0.820 64.090 63.200 0.117 0.000 0.884 117 S HN 0.551 nan 8.310 nan 0.000 0.506 118 Y N 3.977 124.372 120.300 0.157 0.000 2.304 118 Y HA 0.520 5.070 4.550 -0.000 0.000 0.327 118 Y C -0.457 175.576 175.900 0.222 0.000 1.209 118 Y CA -0.688 57.495 58.100 0.139 0.000 1.299 118 Y CB 0.349 38.828 38.460 0.031 0.000 1.249 118 Y HN 0.575 nan 8.280 nan 0.000 0.519 119 F N 3.411 122.752 119.950 -1.015 0.000 2.665 119 F HA 0.423 4.950 4.527 -0.001 0.000 0.308 119 F C -2.018 173.130 175.800 -1.088 0.000 1.112 119 F CA -1.443 56.013 58.000 -0.907 0.000 0.972 119 F CB 1.194 39.861 39.000 -0.554 0.000 1.295 119 F HN 0.413 nan 8.300 nan 0.000 0.440 120 N N 3.501 121.667 118.700 -0.890 0.000 2.648 120 N HA 0.424 5.164 4.740 -0.000 0.000 0.261 120 N C -2.511 172.713 175.510 -0.477 0.000 1.138 120 N CA -2.324 50.342 53.050 -0.639 0.000 0.804 120 N CB 1.907 40.196 38.487 -0.329 0.000 1.237 120 N HN 0.286 nan 8.380 nan 0.000 0.532 121 P HA -0.058 nan 4.420 nan 0.000 0.216 121 P C 1.325 178.540 177.300 -0.142 0.000 1.153 121 P CA 1.298 64.316 63.100 -0.137 0.000 0.858 121 P CB 0.180 31.893 31.700 0.021 0.000 0.789 122 G N -0.171 108.544 108.800 -0.142 0.000 2.469 122 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.219 122 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.219 122 G C 1.478 176.315 174.900 -0.104 0.000 1.150 122 G CA 1.410 46.444 45.100 -0.111 0.000 0.763 122 G HN 0.453 nan 8.290 nan 0.000 0.561 123 S N -1.179 114.456 115.700 -0.109 0.000 2.577 123 S HA 0.306 4.776 4.470 -0.000 0.000 0.219 123 S C 1.109 175.681 174.600 -0.048 0.000 0.962 123 S CA 0.149 58.308 58.200 -0.069 0.000 0.921 123 S CB 0.328 63.505 63.200 -0.038 0.000 0.789 123 S HN 0.194 nan 8.310 nan 0.000 0.497 124 R N 0.589 121.034 120.500 -0.092 0.000 3.525 124 R HA -0.142 4.198 4.340 -0.000 0.000 0.276 124 R C -1.384 175.047 176.300 0.217 0.000 1.116 124 R CA 0.807 56.893 56.100 -0.023 0.000 0.745 124 R CB -2.745 27.537 30.300 -0.030 0.000 1.185 124 R HN 0.629 nan 8.270 nan 0.000 0.454 125 D N -0.592 119.792 120.400 -0.027 0.000 2.349 125 D HA 0.396 5.035 4.640 -0.000 0.000 0.232 125 D C -0.704 175.483 176.300 -0.187 0.000 1.071 125 D CA -0.212 53.828 54.000 0.067 0.000 0.832 125 D CB 0.413 41.257 40.800 0.073 0.000 1.086 125 D HN 0.051 nan 8.370 nan 0.000 0.504 126 F N 4.727 124.856 119.950 0.298 0.000 2.531 126 F HA 0.280 4.807 4.527 -0.001 0.000 0.333 126 F C -1.472 174.445 175.800 0.195 0.000 1.292 126 F CA -1.659 56.494 58.000 0.255 0.000 1.184 126 F CB 1.572 40.753 39.000 0.301 0.000 1.426 126 F HN 0.294 nan 8.300 nan 0.000 0.559 127 P HA -0.221 nan 4.420 nan 0.000 0.220 127 P C 1.351 178.746 177.300 0.158 0.000 1.144 127 P CA 1.299 64.529 63.100 0.217 0.000 0.800 127 P CB 0.293 32.120 31.700 0.211 0.000 0.772 128 A N -0.738 122.173 122.820 0.151 0.000 2.167 128 A HA 0.041 4.361 4.320 -0.000 0.000 0.214 128 A C 2.220 179.810 177.584 0.010 0.000 1.151 128 A CA 0.805 52.891 52.037 0.081 0.000 0.735 128 A CB -1.023 18.019 19.000 0.071 0.000 0.802 128 A HN 0.087 nan 8.150 nan 0.000 0.467 129 V N 0.434 120.330 119.914 -0.030 0.000 2.326 129 V HA 0.047 4.167 4.120 -0.000 0.000 0.238 129 V C -1.643 174.400 176.094 -0.086 0.000 1.038 129 V CA 1.146 63.335 62.300 -0.185 0.000 1.032 129 V CB -0.779 30.683 31.823 -0.602 0.000 0.675 129 V HN 0.448 nan 8.190 nan 0.000 0.467 130 P HA 0.420 nan 4.420 nan 0.000 0.292 130 P C -1.884 175.519 177.300 0.171 0.000 1.300 130 P CA -0.311 62.844 63.100 0.093 0.000 0.900 130 P CB 1.460 33.259 31.700 0.165 0.000 1.139 131 Y N -0.287 120.224 120.300 0.352 0.000 2.499 131 Y HA 0.558 5.108 4.550 -0.000 0.000 0.347 131 Y C 0.939 177.108 175.900 0.448 0.000 0.987 131 Y CA -0.545 57.780 58.100 0.375 0.000 1.044 131 Y CB 2.295 40.935 38.460 0.301 0.000 1.245 131 Y HN 0.506 nan 8.280 nan 0.000 0.461 132 S N -0.773 115.286 115.700 0.598 0.000 2.811 132 S HA 0.591 5.061 4.470 -0.000 0.000 0.311 132 S C 1.028 175.936 174.600 0.513 0.000 1.152 132 S CA -0.254 58.244 58.200 0.497 0.000 0.864 132 S CB 1.214 64.655 63.200 0.401 0.000 1.226 132 S HN 0.828 nan 8.310 nan 0.000 0.541 133 G N -0.306 108.671 108.800 0.295 0.000 2.462 133 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.220 133 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.220 133 G C 0.700 175.676 174.900 0.126 0.000 1.121 133 G CA 0.444 45.645 45.100 0.168 0.000 0.758 133 G HN 0.766 nan 8.290 nan 0.000 0.559 134 W N 0.718 122.126 121.300 0.180 0.000 2.699 134 W HA 0.165 4.825 4.660 0.000 0.000 0.249 134 W C 1.095 177.653 176.519 0.065 0.000 1.280 134 W CA 0.222 57.628 57.345 0.102 0.000 1.345 134 W CB 0.437 29.928 29.460 0.052 0.000 1.128 134 W HN 0.106 nan 8.180 nan 0.000 0.642 135 D N -1.209 119.320 120.400 0.215 0.000 2.368 135 D HA 0.111 4.750 4.640 -0.000 0.000 0.218 135 D C -0.335 175.641 176.300 -0.540 0.000 1.112 135 D CA 0.351 54.272 54.000 -0.131 0.000 0.834 135 D CB -0.098 40.575 40.800 -0.212 0.000 0.953 135 D HN 0.019 nan 8.370 nan 0.000 0.505 136 F N 0.223 120.190 119.950 0.028 0.000 2.575 136 F HA 0.320 4.847 4.527 -0.000 0.000 0.330 136 F C 1.333 177.146 175.800 0.021 0.000 1.056 136 F CA -1.069 56.927 58.000 -0.007 0.000 0.964 136 F CB 0.881 39.879 39.000 -0.004 0.000 1.258 136 F HN -0.375 nan 8.300 nan 0.000 0.484 137 N N 0.914 119.744 118.700 0.217 0.000 2.362 137 N HA -0.029 4.710 4.740 -0.000 0.000 0.211 137 N C 0.821 176.398 175.510 0.112 0.000 1.170 137 N CA 0.333 53.468 53.050 0.140 0.000 0.828 137 N CB -0.320 38.244 38.487 0.128 0.000 1.034 137 N HN 0.579 nan 8.380 nan 0.000 0.475 138 D N 0.302 120.769 120.400 0.113 0.000 2.133 138 D HA -0.149 4.490 4.640 -0.000 0.000 0.192 138 D C 1.647 177.968 176.300 0.035 0.000 1.001 138 D CA 1.275 55.306 54.000 0.052 0.000 0.844 138 D CB 0.078 40.891 40.800 0.023 0.000 0.944 138 D HN 0.372 nan 8.370 nan 0.000 0.447 139 G N 0.204 109.028 108.800 0.040 0.000 2.712 139 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.212 139 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.212 139 G C 1.546 176.475 174.900 0.047 0.000 1.142 139 G CA 0.068 45.188 45.100 0.033 0.000 0.789 139 G HN 0.186 nan 8.290 nan 0.000 0.535 140 K N -0.396 120.043 120.400 0.064 0.000 2.166 140 K HA 0.044 4.364 4.320 -0.000 0.000 0.201 140 K C 0.965 177.607 176.600 0.071 0.000 1.052 140 K CA -0.052 56.279 56.287 0.073 0.000 0.969 140 K CB -0.151 32.407 32.500 0.096 0.000 0.761 140 K HN 0.220 nan 8.250 nan 0.000 0.459 141 c N 2.660 121.298 118.600 0.064 0.000 2.634 141 c HA 0.111 4.681 4.570 -0.000 0.000 0.418 141 c C 0.661 174.771 174.090 0.033 0.000 1.373 141 c CA -0.090 56.269 56.329 0.049 0.000 1.756 141 c CB -0.247 42.284 42.510 0.035 0.000 2.589 141 c HN 0.405 nan 8.230 nan 0.000 0.602 142 K N 2.906 123.324 120.400 0.029 0.000 2.373 142 K HA 0.140 4.460 4.320 -0.000 0.000 0.202 142 K C 0.863 177.468 176.600 0.008 0.000 1.025 142 K CA 0.106 56.405 56.287 0.020 0.000 1.115 142 K CB 0.212 32.728 32.500 0.026 0.000 0.858 142 K HN 0.869 nan 8.250 nan 0.000 0.525 143 T N -2.706 111.848 114.554 0.000 0.000 2.868 143 T HA 0.245 4.594 4.350 -0.000 0.000 0.292 143 T C 1.494 176.188 174.700 -0.009 0.000 1.028 143 T CA -0.385 61.709 62.100 -0.009 0.000 1.059 143 T CB 1.679 70.534 68.868 -0.021 0.000 0.991 143 T HN 0.152 nan 8.240 nan 0.000 0.531 144 G N 0.462 109.256 108.800 -0.010 0.000 2.443 144 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.219 144 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.219 144 G C 1.653 176.544 174.900 -0.015 0.000 1.131 144 G CA 0.735 45.829 45.100 -0.011 0.000 0.775 144 G HN 0.941 nan 8.290 nan 0.000 0.547 145 S N -1.197 114.491 115.700 -0.019 0.000 2.486 145 S HA 0.368 4.838 4.470 -0.000 0.000 0.220 145 S C 1.967 176.551 174.600 -0.026 0.000 1.011 145 S CA 1.040 59.226 58.200 -0.023 0.000 0.921 145 S CB 0.127 63.312 63.200 -0.026 0.000 0.785 145 S HN 1.467 nan 8.310 nan 0.000 0.517 146 G N 0.802 109.588 108.800 -0.024 0.000 2.195 146 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.246 146 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.246 146 G C -0.373 174.509 174.900 -0.031 0.000 0.984 146 G CA 0.284 45.371 45.100 -0.022 0.000 0.633 146 G HN 0.570 nan 8.290 nan 0.000 0.525 147 D N -0.205 120.170 120.400 -0.041 0.000 2.384 147 D HA 0.599 5.239 4.640 -0.000 0.000 0.250 147 D C 0.931 177.190 176.300 -0.069 0.000 1.029 147 D CA -0.663 53.302 54.000 -0.058 0.000 0.990 147 D CB 0.909 41.673 40.800 -0.060 0.000 1.175 147 D HN 0.226 nan 8.370 nan 0.000 0.532 148 I N 1.116 121.627 120.570 -0.098 0.000 2.533 148 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 148 I C 1.214 177.268 176.117 -0.104 0.000 1.109 148 I CA 0.590 61.803 61.300 -0.146 0.000 1.412 148 I CB 0.466 38.325 38.000 -0.236 0.000 1.396 148 I HN 0.326 nan 8.210 nan 0.000 0.543 149 E N 3.809 123.950 120.200 -0.098 0.000 2.441 149 E HA 0.138 4.488 4.350 -0.000 0.000 0.212 149 E C 0.049 176.644 176.600 -0.010 0.000 0.840 149 E CA -0.032 56.347 56.400 -0.035 0.000 1.143 149 E CB 0.648 30.332 29.700 -0.026 0.000 1.153 149 E HN 0.619 nan 8.360 nan 0.000 0.539 150 N N -0.359 118.303 118.700 -0.064 0.000 2.480 150 N HA 0.156 4.896 4.740 -0.000 0.000 0.289 150 N C -0.813 174.654 175.510 -0.072 0.000 1.073 150 N CA -0.226 52.820 53.050 -0.006 0.000 0.885 150 N CB 0.770 39.256 38.487 -0.003 0.000 1.421 150 N HN -0.094 nan 8.380 nan 0.000 0.503 151 Y N 1.726 122.020 120.300 -0.010 0.000 2.578 151 Y HA 0.086 4.635 4.550 -0.001 0.000 0.297 151 Y C 1.174 177.061 175.900 -0.022 0.000 1.176 151 Y CA 0.606 58.694 58.100 -0.019 0.000 1.315 151 Y CB 0.000 38.447 38.460 -0.023 0.000 1.031 151 Y HN 0.646 nan 8.280 nan 0.000 0.524 152 N N -0.579 118.172 118.700 0.084 0.000 2.463 152 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 152 N C -0.155 175.365 175.510 0.017 0.000 1.078 152 N CA 0.400 53.479 53.050 0.048 0.000 0.902 152 N CB 0.217 38.728 38.487 0.040 0.000 0.970 152 N HN 0.079 nan 8.380 nan 0.000 0.451 153 D N 0.157 120.550 120.400 -0.012 0.000 2.473 153 D HA 0.299 4.939 4.640 -0.000 0.000 0.226 153 D C 0.634 176.900 176.300 -0.057 0.000 1.089 153 D CA -0.535 53.452 54.000 -0.022 0.000 0.883 153 D CB 0.758 41.543 40.800 -0.025 0.000 1.029 153 D HN 0.101 nan 8.370 nan 0.000 0.517 154 A N 2.895 125.692 122.820 -0.040 0.000 2.024 154 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 154 A C 1.982 179.464 177.584 -0.171 0.000 1.164 154 A CA 1.672 53.646 52.037 -0.104 0.000 0.643 154 A CB -0.365 18.604 19.000 -0.053 0.000 0.806 154 A HN 0.570 nan 8.150 nan 0.000 0.451 155 T N 0.282 114.833 114.554 -0.006 0.000 2.732 155 T HA -0.154 4.196 4.350 -0.000 0.000 0.261 155 T C 2.135 176.842 174.700 0.011 0.000 1.040 155 T CA 1.575 63.745 62.100 0.117 0.000 1.145 155 T CB -0.306 68.701 68.868 0.231 0.000 0.866 155 T HN 0.878 nan 8.240 nan 0.000 0.427 156 Q N 1.055 120.839 119.800 -0.027 0.000 2.224 156 Q HA -0.037 4.303 4.340 -0.000 0.000 0.203 156 Q C 2.073 177.997 176.000 -0.126 0.000 0.970 156 Q CA 1.126 56.896 55.803 -0.055 0.000 0.865 156 Q CB -0.681 28.018 28.738 -0.066 0.000 0.922 156 Q HN 0.309 nan 8.270 nan 0.000 0.445 157 V N 0.803 120.593 119.914 -0.207 0.000 2.594 157 V HA -0.201 3.919 4.120 -0.000 0.000 0.253 157 V C 1.982 178.003 176.094 -0.122 0.000 1.069 157 V CA 2.010 64.168 62.300 -0.237 0.000 1.082 157 V CB -0.422 31.208 31.823 -0.322 0.000 0.680 157 V HN 0.290 nan 8.190 nan 0.000 0.469 158 R N -0.474 119.870 120.500 -0.260 0.000 2.175 158 R HA 0.090 4.429 4.340 -0.000 0.000 0.202 158 R C 1.517 177.784 176.300 -0.056 0.000 1.018 158 R CA 0.654 56.563 56.100 -0.317 0.000 1.029 158 R CB -0.117 29.538 30.300 -1.075 0.000 0.959 158 R HN 0.412 nan 8.270 nan 0.000 0.480 159 D N -1.227 119.194 120.400 0.035 0.000 2.379 159 D HA 0.120 4.760 4.640 -0.000 0.000 0.208 159 D C -0.065 176.277 176.300 0.069 0.000 1.065 159 D CA 0.262 54.338 54.000 0.127 0.000 0.848 159 D CB 0.345 41.261 40.800 0.193 0.000 0.949 159 D HN 0.076 nan 8.370 nan 0.000 0.509 160 c N 0.595 119.206 118.600 0.018 0.000 2.407 160 c HA 0.492 5.062 4.570 -0.000 0.000 0.366 160 c C 0.623 174.696 174.090 -0.029 0.000 1.213 160 c CA -1.022 55.303 56.329 -0.006 0.000 2.011 160 c CB 1.466 43.955 42.510 -0.035 0.000 2.306 160 c HN 0.053 nan 8.230 nan 0.000 0.527 161 R N 1.203 121.677 120.500 -0.043 0.000 2.316 161 R HA 0.286 4.626 4.340 -0.000 0.000 0.314 161 R C -0.561 175.655 176.300 -0.140 0.000 1.069 161 R CA -0.436 55.619 56.100 -0.074 0.000 0.959 161 R CB 0.201 30.464 30.300 -0.062 0.000 0.987 161 R HN 0.492 nan 8.270 nan 0.000 0.446 162 L N 4.998 126.085 121.223 -0.227 0.000 2.565 162 L HA -0.029 4.311 4.340 -0.000 0.000 0.275 162 L C 0.399 177.124 176.870 -0.242 0.000 1.137 162 L CA 0.855 55.504 54.840 -0.319 0.000 0.915 162 L CB -0.011 41.706 42.059 -0.570 0.000 1.232 162 L HN 0.939 nan 8.230 nan 0.000 0.473 163 T N 1.565 116.020 114.554 -0.164 0.000 3.852 163 T HA -0.188 4.162 4.350 -0.000 0.000 0.361 163 T C 1.131 175.745 174.700 -0.143 0.000 0.759 163 T CA 1.132 63.147 62.100 -0.142 0.000 1.899 163 T CB -2.473 66.299 68.868 -0.160 0.000 1.822 163 T HN 2.348 nan 8.240 nan 0.000 0.778 164 G N -1.129 107.598 108.800 -0.122 0.000 2.205 164 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.261 164 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.261 164 G C 0.006 174.847 174.900 -0.098 0.000 0.980 164 G CA -0.055 44.986 45.100 -0.098 0.000 0.632 164 G HN 1.050 nan 8.290 nan 0.000 0.533 165 L N 1.476 122.610 121.223 -0.148 0.000 2.477 165 L HA 0.384 4.723 4.340 -0.000 0.000 0.272 165 L C 1.361 178.204 176.870 -0.045 0.000 1.157 165 L CA -0.021 54.734 54.840 -0.142 0.000 0.889 165 L CB 0.461 42.277 42.059 -0.404 0.000 1.158 165 L HN 0.206 nan 8.230 nan 0.000 0.473 166 L N 3.392 124.619 121.223 0.007 0.000 2.628 166 L HA -0.080 4.260 4.340 -0.000 0.000 0.274 166 L C 0.361 177.366 176.870 0.225 0.000 1.209 166 L CA 0.282 55.135 54.840 0.022 0.000 0.930 166 L CB -0.142 41.800 42.059 -0.196 0.000 1.183 166 L HN 0.585 nan 8.230 nan 0.000 0.492 167 D N 3.938 124.481 120.400 0.238 0.000 2.313 167 D HA 0.334 4.973 4.640 -0.000 0.000 0.239 167 D C -0.238 176.207 176.300 0.242 0.000 1.142 167 D CA -0.306 53.827 54.000 0.220 0.000 0.847 167 D CB 0.786 41.663 40.800 0.129 0.000 1.082 167 D HN 0.247 nan 8.370 nan 0.000 0.480 168 L N 2.429 123.689 121.223 0.062 0.000 2.426 168 L HA 0.281 4.620 4.340 -0.000 0.000 0.271 168 L C 0.723 177.523 176.870 -0.117 0.000 1.169 168 L CA -0.640 54.053 54.840 -0.245 0.000 0.836 168 L CB 0.841 42.694 42.059 -0.342 0.000 1.112 168 L HN 0.487 nan 8.230 nan 0.000 0.465 169 A N 5.042 127.756 122.820 -0.176 0.000 2.990 169 A HA 0.272 4.592 4.320 -0.000 0.000 0.282 169 A C 1.088 178.663 177.584 -0.015 0.000 1.688 169 A CA -0.324 51.693 52.037 -0.033 0.000 1.391 169 A CB -0.570 18.427 19.000 -0.006 0.000 1.112 169 A HN 0.824 nan 8.150 nan 0.000 0.588 170 L N 0.871 122.108 121.223 0.025 0.000 2.549 170 L HA -0.116 4.224 4.340 -0.000 0.000 0.229 170 L C 2.512 179.412 176.870 0.050 0.000 1.158 170 L CA 1.080 55.943 54.840 0.038 0.000 0.842 170 L CB -0.260 41.845 42.059 0.077 0.000 0.952 170 L HN 0.860 nan 8.230 nan 0.000 0.452 171 E N 1.158 121.389 120.200 0.052 0.000 2.371 171 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 171 E C 0.321 176.936 176.600 0.024 0.000 1.012 171 E CA 0.172 56.587 56.400 0.025 0.000 0.860 171 E CB 0.115 29.816 29.700 0.002 0.000 0.811 171 E HN 0.384 nan 8.360 nan 0.000 0.502 172 K N 1.562 121.987 120.400 0.041 0.000 2.322 172 K HA 0.034 4.354 4.320 -0.000 0.000 0.283 172 K C 0.175 176.814 176.600 0.066 0.000 1.042 172 K CA 0.161 56.486 56.287 0.064 0.000 0.958 172 K CB 1.133 33.693 32.500 0.101 0.000 0.984 172 K HN -0.078 nan 8.250 nan 0.000 0.473 173 D N 1.834 122.274 120.400 0.067 0.000 2.144 173 D HA -0.231 4.409 4.640 -0.000 0.000 0.199 173 D C 1.484 177.830 176.300 0.077 0.000 0.984 173 D CA 1.332 55.365 54.000 0.055 0.000 0.834 173 D CB 0.055 40.884 40.800 0.049 0.000 0.955 173 D HN 0.624 nan 8.370 nan 0.000 0.465 174 Y N 0.369 120.684 120.300 0.026 0.000 2.128 174 Y HA -0.207 4.342 4.550 -0.001 0.000 0.284 174 Y C 2.068 178.020 175.900 0.087 0.000 1.154 174 Y CA 1.507 59.637 58.100 0.050 0.000 1.149 174 Y CB -0.519 37.977 38.460 0.061 0.000 0.976 174 Y HN -0.076 nan 8.280 nan 0.000 0.505 175 V N 0.806 120.757 119.914 0.062 0.000 2.307 175 V HA -0.300 3.820 4.120 -0.000 0.000 0.245 175 V C 2.379 178.446 176.094 -0.046 0.000 1.045 175 V CA 2.289 64.604 62.300 0.024 0.000 1.024 175 V CB -0.647 31.179 31.823 0.006 0.000 0.651 175 V HN 0.334 nan 8.190 nan 0.000 0.449 176 R N 0.066 120.542 120.500 -0.040 0.000 2.105 176 R HA -0.138 4.201 4.340 -0.000 0.000 0.239 176 R C 2.542 178.780 176.300 -0.103 0.000 1.135 176 R CA 1.735 57.800 56.100 -0.058 0.000 0.967 176 R CB -0.478 29.803 30.300 -0.033 0.000 0.861 176 R HN 0.446 nan 8.270 nan 0.000 0.442 177 S N 0.423 116.048 115.700 -0.124 0.000 2.387 177 S HA -0.037 4.433 4.470 -0.000 0.000 0.226 177 S C 1.640 176.115 174.600 -0.209 0.000 1.026 177 S CA 0.879 58.990 58.200 -0.148 0.000 0.972 177 S CB 0.067 63.192 63.200 -0.124 0.000 0.814 177 S HN 0.163 nan 8.310 nan 0.000 0.477 178 K N 1.452 121.677 120.400 -0.293 0.000 2.097 178 K HA 0.131 4.450 4.320 -0.000 0.000 0.205 178 K C 1.859 178.295 176.600 -0.273 0.000 1.050 178 K CA 0.855 56.972 56.287 -0.283 0.000 0.938 178 K CB -0.607 31.695 32.500 -0.329 0.000 0.718 178 K HN 0.400 nan 8.250 nan 0.000 0.442 179 I N 0.829 121.260 120.570 -0.231 0.000 2.252 179 I HA -0.222 3.947 4.170 -0.000 0.000 0.245 179 I C 2.325 178.280 176.117 -0.270 0.000 1.102 179 I CA 1.037 62.155 61.300 -0.304 0.000 1.385 179 I CB -0.314 37.582 38.000 -0.172 0.000 1.064 179 I HN 0.014 nan 8.210 nan 0.000 0.414 180 A N 0.238 122.926 122.820 -0.221 0.000 1.933 180 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 180 A C 2.305 179.755 177.584 -0.222 0.000 1.175 180 A CA 1.813 53.714 52.037 -0.226 0.000 0.628 180 A CB -0.608 18.290 19.000 -0.170 0.000 0.814 180 A HN 0.508 nan 8.150 nan 0.000 0.444 181 E N -1.378 118.715 120.200 -0.178 0.000 2.077 181 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 181 E C 1.849 178.406 176.600 -0.072 0.000 0.989 181 E CA 1.633 57.959 56.400 -0.124 0.000 0.800 181 E CB -0.363 29.276 29.700 -0.103 0.000 0.746 181 E HN 0.711 nan 8.360 nan 0.000 0.452 182 Y N 0.916 121.049 120.300 -0.278 0.000 2.114 182 Y HA -0.164 4.386 4.550 -0.000 0.000 0.284 182 Y C 2.072 177.876 175.900 -0.160 0.000 1.143 182 Y CA 1.973 59.926 58.100 -0.245 0.000 1.135 182 Y CB -0.391 37.684 38.460 -0.641 0.000 0.980 182 Y HN 0.024 nan 8.280 nan 0.000 0.499 183 M N 0.115 119.413 119.600 -0.503 0.000 2.175 183 M HA -0.204 4.276 4.480 -0.000 0.000 0.264 183 M C 1.695 177.846 176.300 -0.248 0.000 1.063 183 M CA 1.539 56.501 55.300 -0.562 0.000 1.119 183 M CB -0.383 31.767 32.600 -0.749 0.000 1.377 183 M HN 0.233 nan 8.290 nan 0.000 0.415 184 N N -0.423 118.113 118.700 -0.273 0.000 2.244 184 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 184 N C 1.596 177.056 175.510 -0.083 0.000 1.016 184 N CA 1.091 53.938 53.050 -0.337 0.000 0.866 184 N CB -0.541 37.543 38.487 -0.671 0.000 0.980 184 N HN 0.381 nan 8.380 nan 0.000 0.430 185 H N 1.246 120.233 119.070 -0.139 0.000 2.319 185 H HA 0.032 4.588 4.556 -0.000 0.000 0.299 185 H C 2.005 177.321 175.328 -0.019 0.000 1.092 185 H CA 1.390 57.412 56.048 -0.044 0.000 1.302 185 H CB -0.459 29.291 29.762 -0.021 0.000 1.373 185 H HN 0.119 nan 8.280 nan 0.000 0.497 186 L N -0.531 120.623 121.223 -0.115 0.000 2.056 186 L HA -0.121 4.218 4.340 -0.000 0.000 0.207 186 L C 2.774 179.634 176.870 -0.016 0.000 1.078 186 L CA 1.195 55.957 54.840 -0.130 0.000 0.749 186 L CB -0.374 41.582 42.059 -0.172 0.000 0.901 186 L HN 0.233 nan 8.230 nan 0.000 0.433 187 I N -0.006 120.582 120.570 0.031 0.000 2.226 187 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 187 I C 2.014 178.193 176.117 0.102 0.000 1.100 187 I CA 1.278 62.598 61.300 0.033 0.000 1.374 187 I CB -0.373 37.666 38.000 0.064 0.000 1.057 187 I HN 0.270 nan 8.210 nan 0.000 0.413 188 D N 0.727 121.219 120.400 0.153 0.000 2.219 188 D HA -0.110 4.529 4.640 -0.000 0.000 0.205 188 D C 2.184 178.608 176.300 0.207 0.000 0.970 188 D CA 1.174 55.297 54.000 0.205 0.000 0.851 188 D CB -0.151 40.788 40.800 0.232 0.000 0.943 188 D HN 0.361 nan 8.370 nan 0.000 0.488 189 I N -0.406 120.268 120.570 0.174 0.000 2.394 189 I HA -0.087 4.082 4.170 -0.000 0.000 0.251 189 I C 1.722 177.967 176.117 0.214 0.000 1.136 189 I CA 1.289 62.695 61.300 0.177 0.000 1.425 189 I CB 0.150 38.227 38.000 0.127 0.000 1.079 189 I HN 0.180 nan 8.210 nan 0.000 0.425 190 G N -0.349 108.546 108.800 0.159 0.000 2.559 190 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.202 190 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.202 190 G C 0.188 175.032 174.900 -0.093 0.000 0.992 190 G CA -0.377 44.801 45.100 0.131 0.000 0.764 190 G HN 0.022 nan 8.290 nan 0.000 0.525 191 V N 1.343 121.150 119.914 -0.178 0.000 2.763 191 V HA 0.395 4.515 4.120 -0.000 0.000 0.306 191 V C 1.681 177.508 176.094 -0.445 0.000 1.059 191 V CA 1.277 63.358 62.300 -0.366 0.000 1.138 191 V CB 1.485 33.051 31.823 -0.429 0.000 0.940 191 V HN 0.836 nan 8.190 nan 0.000 0.489 192 A N 3.052 125.522 122.820 -0.583 0.000 2.267 192 A HA 0.663 4.983 4.320 -0.000 0.000 0.213 192 A C 0.903 178.280 177.584 -0.345 0.000 1.192 192 A CA 0.781 52.475 52.037 -0.573 0.000 0.851 192 A CB 0.021 18.707 19.000 -0.525 0.000 0.881 192 A HN 1.328 nan 8.150 nan 0.000 0.494 193 G N -1.917 106.626 108.800 -0.429 0.000 2.321 193 G HA2 0.482 4.442 3.960 -0.000 0.000 0.296 193 G HA3 0.482 4.442 3.960 -0.000 0.000 0.296 193 G C -1.640 172.961 174.900 -0.499 0.000 1.287 193 G CA -0.680 44.358 45.100 -0.103 0.000 0.846 193 G HN 0.219 nan 8.290 nan 0.000 0.508 194 F N -0.489 119.469 119.950 0.014 0.000 2.619 194 F HA 0.662 5.189 4.527 -0.000 0.000 0.308 194 F C 0.149 175.580 175.800 -0.615 0.000 1.097 194 F CA -0.865 57.021 58.000 -0.191 0.000 0.953 194 F CB 2.470 41.352 39.000 -0.197 0.000 1.287 194 F HN 0.491 nan 8.300 nan 0.000 0.446 195 R N 3.298 123.485 120.500 -0.523 0.000 2.207 195 R HA 0.533 4.873 4.340 -0.000 0.000 0.334 195 R C -1.527 174.600 176.300 -0.289 0.000 1.013 195 R CA -0.376 55.191 56.100 -0.888 0.000 0.858 195 R CB 0.478 30.381 30.300 -0.662 0.000 1.094 195 R HN 0.800 nan 8.270 nan 0.000 0.457 196 L N 5.315 126.395 121.223 -0.237 0.000 2.282 196 L HA 0.157 4.497 4.340 -0.000 0.000 0.287 196 L C 0.601 177.459 176.870 -0.020 0.000 1.075 196 L CA -0.350 54.435 54.840 -0.092 0.000 0.839 196 L CB 0.732 42.737 42.059 -0.090 0.000 1.219 196 L HN 0.633 nan 8.230 nan 0.000 0.434 197 D N 4.349 124.782 120.400 0.055 0.000 2.443 197 D HA 0.059 4.699 4.640 -0.000 0.000 0.239 197 D C 0.746 177.124 176.300 0.131 0.000 1.136 197 D CA 0.638 54.717 54.000 0.133 0.000 0.879 197 D CB 1.158 42.103 40.800 0.243 0.000 1.195 197 D HN 0.746 nan 8.370 nan 0.000 0.443 198 A N 3.162 126.079 122.820 0.163 0.000 2.745 198 A HA -0.211 4.108 4.320 -0.000 0.000 0.296 198 A C 1.639 179.298 177.584 0.126 0.000 1.500 198 A CA 1.070 53.251 52.037 0.240 0.000 0.766 198 A CB -1.993 17.224 19.000 0.361 0.000 1.030 198 A HN 0.505 nan 8.150 nan 0.000 0.489 199 S N -0.623 115.060 115.700 -0.028 0.000 2.419 199 S HA -0.132 4.337 4.470 -0.000 0.000 0.233 199 S C 1.820 176.242 174.600 -0.297 0.000 1.016 199 S CA 1.413 59.517 58.200 -0.160 0.000 0.974 199 S CB -0.124 62.897 63.200 -0.297 0.000 0.786 199 S HN 0.840 nan 8.310 nan 0.000 0.492 200 K N 0.685 120.869 120.400 -0.360 0.000 2.280 200 K HA -0.123 4.197 4.320 -0.000 0.000 0.202 200 K C 0.923 177.291 176.600 -0.387 0.000 1.047 200 K CA 1.070 57.126 56.287 -0.385 0.000 0.942 200 K CB -0.103 32.139 32.500 -0.429 0.000 0.739 200 K HN 0.454 nan 8.250 nan 0.000 0.457 201 H N -0.394 118.652 119.070 -0.041 0.000 2.526 201 H HA 0.182 4.738 4.556 -0.001 0.000 0.274 201 H C 0.014 175.295 175.328 -0.078 0.000 0.999 201 H CA 0.331 56.340 56.048 -0.065 0.000 1.157 201 H CB 0.059 29.819 29.762 -0.003 0.000 1.407 201 H HN 0.169 nan 8.280 nan 0.000 0.568 202 M N -0.264 119.346 119.600 0.016 0.000 2.464 202 M HA 0.187 4.667 4.480 -0.000 0.000 0.308 202 M C -0.988 175.354 176.300 0.070 0.000 1.127 202 M CA -0.819 54.517 55.300 0.061 0.000 0.913 202 M CB 2.374 35.055 32.600 0.136 0.000 1.689 202 M HN 0.000 nan 8.290 nan 0.000 0.445 203 W N 2.705 124.067 121.300 0.104 0.000 2.216 203 W HA 0.211 4.871 4.660 -0.000 0.000 0.326 203 W C -1.726 174.795 176.519 0.004 0.000 1.319 203 W CA -0.912 56.454 57.345 0.035 0.000 1.213 203 W CB -0.133 29.329 29.460 0.004 0.000 1.171 203 W HN 0.495 nan 8.180 nan 0.000 0.557 204 P HA -0.227 nan 4.420 nan 0.000 0.216 204 P C 1.715 179.048 177.300 0.056 0.000 1.154 204 P CA 2.560 65.609 63.100 -0.085 0.000 0.865 204 P CB 0.059 31.560 31.700 -0.332 0.000 0.789 205 G N -0.696 108.156 108.800 0.087 0.000 2.422 205 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 205 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 205 G C 1.252 176.190 174.900 0.064 0.000 1.140 205 G CA 0.745 45.876 45.100 0.051 0.000 0.775 205 G HN 0.183 nan 8.290 nan 0.000 0.545 206 D N 0.575 121.050 120.400 0.124 0.000 2.123 206 D HA -0.025 4.614 4.640 -0.000 0.000 0.200 206 D C 2.579 178.925 176.300 0.077 0.000 0.976 206 D CA 0.307 54.370 54.000 0.105 0.000 0.831 206 D CB -0.120 40.785 40.800 0.175 0.000 0.974 206 D HN 0.340 nan 8.370 nan 0.000 0.469 207 I N 0.628 121.260 120.570 0.104 0.000 2.163 207 I HA -0.286 3.883 4.170 -0.000 0.000 0.243 207 I C 2.322 178.457 176.117 0.031 0.000 1.085 207 I CA 1.029 62.371 61.300 0.070 0.000 1.347 207 I CB -0.112 37.966 38.000 0.129 0.000 1.044 207 I HN -0.076 nan 8.210 nan 0.000 0.408 208 K N 1.461 121.886 120.400 0.042 0.000 2.063 208 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 208 K C 2.074 178.675 176.600 0.001 0.000 1.048 208 K CA 1.660 57.959 56.287 0.020 0.000 0.928 208 K CB -0.334 32.183 32.500 0.028 0.000 0.713 208 K HN 0.292 nan 8.250 nan 0.000 0.442 209 A N 0.432 123.254 122.820 0.004 0.000 1.933 209 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 209 A C 2.186 179.756 177.584 -0.024 0.000 1.175 209 A CA 1.680 53.713 52.037 -0.007 0.000 0.628 209 A CB -0.605 18.394 19.000 -0.002 0.000 0.814 209 A HN 0.359 nan 8.150 nan 0.000 0.444 210 I N -0.505 120.044 120.570 -0.034 0.000 2.233 210 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 210 I C 2.230 178.291 176.117 -0.093 0.000 1.093 210 I CA 0.896 62.153 61.300 -0.072 0.000 1.380 210 I CB -0.267 37.681 38.000 -0.087 0.000 1.067 210 I HN 0.264 nan 8.210 nan 0.000 0.413 211 L N 0.243 121.418 121.223 -0.081 0.000 2.191 211 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 211 L C 1.835 178.670 176.870 -0.058 0.000 1.103 211 L CA 1.009 55.797 54.840 -0.087 0.000 0.769 211 L CB -0.694 41.324 42.059 -0.069 0.000 0.908 211 L HN 0.259 nan 8.230 nan 0.000 0.438 212 D N 0.412 120.789 120.400 -0.037 0.000 2.264 212 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 212 D C 1.811 178.101 176.300 -0.015 0.000 0.966 212 D CA 1.067 55.055 54.000 -0.019 0.000 0.864 212 D CB 0.079 40.873 40.800 -0.011 0.000 0.933 212 D HN 0.324 nan 8.370 nan 0.000 0.499 213 K N -0.294 120.086 120.400 -0.034 0.000 2.404 213 K HA 0.173 4.493 4.320 -0.000 0.000 0.194 213 K C 0.546 177.126 176.600 -0.033 0.000 1.023 213 K CA -0.071 56.200 56.287 -0.027 0.000 1.094 213 K CB 0.782 33.251 32.500 -0.053 0.000 0.841 213 K HN 0.081 nan 8.250 nan 0.000 0.523 214 L N 1.193 122.386 121.223 -0.050 0.000 2.418 214 L HA 0.203 4.542 4.340 -0.000 0.000 0.265 214 L C 0.590 177.504 176.870 0.073 0.000 1.143 214 L CA -0.507 54.291 54.840 -0.069 0.000 0.809 214 L CB 0.540 42.544 42.059 -0.092 0.000 1.124 214 L HN 0.197 nan 8.230 nan 0.000 0.456 215 H N 0.554 119.616 119.070 -0.014 0.000 2.544 215 H HA 0.158 4.714 4.556 -0.000 0.000 0.365 215 H C -0.301 175.023 175.328 -0.006 0.000 1.268 215 H CA -0.756 55.290 56.048 -0.003 0.000 1.400 215 H CB 0.750 30.518 29.762 0.009 0.000 1.538 215 H HN 0.576 nan 8.280 nan 0.000 0.597 216 N N 0.187 118.966 118.700 0.132 0.000 2.424 216 N HA 0.102 4.841 4.740 -0.000 0.000 0.257 216 N C -0.355 175.182 175.510 0.044 0.000 1.250 216 N CA -0.599 52.483 53.050 0.053 0.000 0.946 216 N CB 0.782 39.289 38.487 0.033 0.000 1.175 216 N HN 0.187 nan 8.380 nan 0.000 0.477 217 L N 1.046 122.240 121.223 -0.049 0.000 2.483 217 L HA 0.018 4.358 4.340 -0.000 0.000 0.275 217 L C 0.795 177.738 176.870 0.121 0.000 1.220 217 L CA -0.106 54.657 54.840 -0.128 0.000 0.833 217 L CB -0.013 41.645 42.059 -0.668 0.000 1.102 217 L HN 0.604 nan 8.230 nan 0.000 0.490 218 N N 0.164 119.021 118.700 0.262 0.000 2.374 218 N HA -0.102 4.638 4.740 -0.000 0.000 0.269 218 N C 1.062 176.790 175.510 0.363 0.000 1.310 218 N CA 0.193 53.444 53.050 0.336 0.000 0.877 218 N CB 0.602 39.365 38.487 0.460 0.000 1.096 218 N HN 0.625 nan 8.380 nan 0.000 0.484 219 S N 2.420 118.225 115.700 0.174 0.000 2.595 219 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 219 S C 1.107 175.724 174.600 0.027 0.000 0.974 219 S CA 0.266 58.535 58.200 0.116 0.000 0.942 219 S CB -0.041 63.190 63.200 0.051 0.000 0.766 219 S HN 0.626 nan 8.310 nan 0.000 0.536 220 N N 0.032 118.694 118.700 -0.063 0.000 2.457 220 N HA 0.045 4.785 4.740 -0.000 0.000 0.180 220 N C 0.585 175.888 175.510 -0.345 0.000 1.050 220 N CA 0.812 53.686 53.050 -0.293 0.000 0.906 220 N CB -0.027 38.120 38.487 -0.567 0.000 0.968 220 N HN 0.610 nan 8.380 nan 0.000 0.445 221 W N -0.474 120.763 121.300 -0.105 0.000 3.097 221 W HA 0.290 4.949 4.660 -0.000 0.000 0.245 221 W C -0.142 176.069 176.519 -0.513 0.000 1.120 221 W CA -0.170 56.951 57.345 -0.374 0.000 1.468 221 W CB 0.083 29.162 29.460 -0.636 0.000 0.851 221 W HN -0.188 nan 8.180 nan 0.000 0.692 222 F N 1.923 121.993 119.950 0.199 0.000 2.492 222 F HA 0.462 4.989 4.527 -0.000 0.000 0.327 222 F C -1.677 174.160 175.800 0.062 0.000 1.079 222 F CA -2.688 55.377 58.000 0.107 0.000 0.967 222 F CB 0.130 39.182 39.000 0.087 0.000 1.169 222 F HN -0.433 nan 8.300 nan 0.000 0.472 223 P HA 0.128 nan 4.420 nan 0.000 0.269 223 P C -0.742 176.629 177.300 0.118 0.000 1.215 223 P CA -0.346 62.829 63.100 0.125 0.000 0.780 223 P CB 0.504 32.261 31.700 0.095 0.000 0.898 224 A N 1.456 124.320 122.820 0.074 0.000 2.531 224 A HA 0.390 4.710 4.320 -0.000 0.000 0.236 224 A C 1.499 179.114 177.584 0.051 0.000 1.062 224 A CA 0.785 52.856 52.037 0.056 0.000 0.760 224 A CB -1.434 17.587 19.000 0.034 0.000 0.995 224 A HN 0.939 nan 8.150 nan 0.000 0.501 225 G N 1.474 110.299 108.800 0.042 0.000 2.176 225 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.253 225 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.253 225 G C 0.444 175.361 174.900 0.030 0.000 0.979 225 G CA 0.357 45.477 45.100 0.032 0.000 0.641 225 G HN 1.245 nan 8.290 nan 0.000 0.530 226 S N 1.681 117.403 115.700 0.037 0.000 2.531 226 S HA 0.469 4.939 4.470 -0.000 0.000 0.279 226 S C 0.452 175.030 174.600 -0.037 0.000 1.305 226 S CA -0.038 58.166 58.200 0.008 0.000 1.058 226 S CB 1.129 64.341 63.200 0.019 0.000 0.899 226 S HN 0.362 nan 8.310 nan 0.000 0.493 227 K N 3.684 124.063 120.400 -0.034 0.000 2.123 227 K HA 0.433 4.753 4.320 -0.000 0.000 0.259 227 K C -2.684 173.891 176.600 -0.041 0.000 0.960 227 K CA -2.693 53.575 56.287 -0.032 0.000 0.872 227 K CB 0.645 33.133 32.500 -0.020 0.000 1.079 227 K HN 0.303 nan 8.250 nan 0.000 0.440 228 P HA -0.013 nan 4.420 nan 0.000 0.268 228 P C -0.293 177.086 177.300 0.132 0.000 1.204 228 P CA -0.262 62.855 63.100 0.028 0.000 0.768 228 P CB 0.245 32.028 31.700 0.138 0.000 0.842 229 F N 4.843 124.799 119.950 0.011 0.000 2.543 229 F HA 0.200 4.727 4.527 -0.000 0.000 0.375 229 F C -0.178 175.697 175.800 0.125 0.000 1.075 229 F CA -0.512 57.517 58.000 0.049 0.000 1.225 229 F CB -0.065 38.996 39.000 0.102 0.000 1.099 229 F HN 0.116 nan 8.300 nan 0.000 0.561 230 I N 8.796 129.200 120.570 -0.277 0.000 2.418 230 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 230 I C -1.156 174.712 176.117 -0.415 0.000 1.008 230 I CA -0.789 60.337 61.300 -0.289 0.000 1.104 230 I CB 0.986 38.900 38.000 -0.143 0.000 1.264 230 I HN 0.545 nan 8.210 nan 0.000 0.438 231 Y N 3.463 123.445 120.300 -0.529 0.000 2.326 231 Y HA 0.697 5.247 4.550 -0.001 0.000 0.329 231 Y C -0.498 175.312 175.900 -0.151 0.000 0.973 231 Y CA -1.231 56.645 58.100 -0.373 0.000 1.162 231 Y CB 0.804 38.989 38.460 -0.459 0.000 1.147 231 Y HN 0.488 nan 8.280 nan 0.000 0.456 232 Q N 2.758 122.569 119.800 0.020 0.000 2.274 232 Q HA 0.175 4.515 4.340 -0.000 0.000 0.256 232 Q C -0.482 175.534 176.000 0.026 0.000 0.927 232 Q CA -0.634 55.153 55.803 -0.027 0.000 0.939 232 Q CB 1.742 30.452 28.738 -0.047 0.000 1.201 232 Q HN 0.712 nan 8.270 nan 0.000 0.426 233 E N 3.220 123.435 120.200 0.025 0.000 1.944 233 E HA 0.145 4.494 4.350 -0.000 0.000 0.272 233 E C -1.333 175.295 176.600 0.046 0.000 1.195 233 E CA -0.163 56.321 56.400 0.140 0.000 0.926 233 E CB 0.370 30.165 29.700 0.158 0.000 1.051 233 E HN 0.310 nan 8.360 nan 0.000 0.404 234 V N 7.073 127.042 119.914 0.092 0.000 2.443 234 V HA 0.302 4.421 4.120 -0.000 0.000 0.293 234 V C 0.101 176.239 176.094 0.073 0.000 1.021 234 V CA -0.672 61.595 62.300 -0.055 0.000 0.848 234 V CB 1.545 33.248 31.823 -0.199 0.000 0.998 234 V HN 0.580 nan 8.190 nan 0.000 0.424 235 I N 4.297 124.788 120.570 -0.130 0.000 2.281 235 I HA 0.309 4.479 4.170 -0.000 0.000 0.293 235 I C -0.373 175.682 176.117 -0.104 0.000 1.085 235 I CA 0.239 61.384 61.300 -0.259 0.000 1.257 235 I CB 0.589 38.255 38.000 -0.557 0.000 1.430 235 I HN 0.554 nan 8.210 nan 0.000 0.489 236 D N 7.421 127.833 120.400 0.020 0.000 2.446 236 D HA 0.299 4.939 4.640 -0.000 0.000 0.251 236 D C 0.153 176.483 176.300 0.049 0.000 1.137 236 D CA -0.340 53.675 54.000 0.025 0.000 0.890 236 D CB 1.074 41.906 40.800 0.053 0.000 1.071 236 D HN 0.389 nan 8.370 nan 0.000 0.528 237 L N 2.601 123.836 121.223 0.020 0.000 2.700 237 L HA 0.494 4.834 4.340 -0.000 0.000 0.234 237 L C 1.159 178.054 176.870 0.041 0.000 1.156 237 L CA -0.030 54.836 54.840 0.042 0.000 0.946 237 L CB -0.272 41.803 42.059 0.026 0.000 1.216 237 L HN 0.603 nan 8.230 nan 0.000 0.493 238 G N -0.675 108.144 108.800 0.031 0.000 2.663 238 G HA2 0.148 4.108 3.960 -0.000 0.000 0.686 238 G HA3 0.148 4.108 3.960 -0.000 0.000 0.686 238 G C 0.436 175.343 174.900 0.012 0.000 1.288 238 G CA -0.425 44.691 45.100 0.027 0.000 0.836 238 G HN 0.495 nan 8.290 nan 0.000 0.584 239 G N -0.799 108.008 108.800 0.012 0.000 2.198 239 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.260 239 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.260 239 G C 0.122 175.030 174.900 0.012 0.000 1.025 239 G CA 1.686 46.791 45.100 0.009 0.000 0.769 239 G HN 1.197 nan 8.290 nan 0.000 0.507 240 E N -0.892 119.318 120.200 0.016 0.000 2.340 240 E HA 0.397 4.747 4.350 -0.000 0.000 0.273 240 E C -1.451 175.163 176.600 0.024 0.000 0.891 240 E CA -1.742 54.674 56.400 0.027 0.000 0.757 240 E CB 2.222 31.940 29.700 0.029 0.000 1.231 240 E HN 0.037 nan 8.360 nan 0.000 0.439 241 P HA -0.055 nan 4.420 nan 0.000 0.217 241 P C 0.365 177.672 177.300 0.011 0.000 1.150 241 P CA 1.000 64.110 63.100 0.017 0.000 0.832 241 P CB 0.400 32.110 31.700 0.017 0.000 0.787 242 I N 0.459 121.037 120.570 0.014 0.000 2.416 242 I HA 0.082 4.252 4.170 -0.000 0.000 0.288 242 I C 0.571 176.710 176.117 0.037 0.000 1.051 242 I CA -0.160 61.152 61.300 0.021 0.000 1.375 242 I CB 0.482 38.494 38.000 0.019 0.000 1.407 242 I HN -0.174 nan 8.210 nan 0.000 0.516 243 K N 3.480 123.902 120.400 0.037 0.000 2.259 243 K HA 0.308 4.628 4.320 -0.000 0.000 0.249 243 K C 0.878 177.516 176.600 0.065 0.000 0.942 243 K CA -0.599 55.702 56.287 0.023 0.000 0.816 243 K CB 1.777 34.259 32.500 -0.030 0.000 1.155 243 K HN 0.602 nan 8.250 nan 0.000 0.428 244 S N -0.159 115.571 115.700 0.050 0.000 2.419 244 S HA -0.214 4.255 4.470 -0.000 0.000 0.233 244 S C 1.788 176.301 174.600 -0.145 0.000 1.016 244 S CA 1.562 59.816 58.200 0.089 0.000 0.974 244 S CB -0.548 62.734 63.200 0.136 0.000 0.786 244 S HN 0.659 nan 8.310 nan 0.000 0.492 245 S N 2.065 117.458 115.700 -0.513 0.000 2.442 245 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 245 S C 1.145 175.276 174.600 -0.782 0.000 1.007 245 S CA 1.009 58.362 58.200 -1.411 0.000 0.965 245 S CB -0.614 62.089 63.200 -0.829 0.000 0.773 245 S HN 0.453 nan 8.310 nan 0.000 0.504 246 D N 0.552 120.753 120.400 -0.332 0.000 2.350 246 D HA -0.028 4.612 4.640 -0.000 0.000 0.216 246 D C 0.452 176.512 176.300 -0.400 0.000 0.968 246 D CA 0.894 54.704 54.000 -0.317 0.000 0.894 246 D CB -0.251 40.344 40.800 -0.342 0.000 0.909 246 D HN 0.633 nan 8.370 nan 0.000 0.520 247 Y N -1.145 119.092 120.300 -0.103 0.000 2.507 247 Y HA 0.132 4.681 4.550 -0.001 0.000 0.254 247 Y C 1.394 177.447 175.900 0.255 0.000 1.171 247 Y CA -0.477 57.663 58.100 0.068 0.000 1.238 247 Y CB 0.048 38.556 38.460 0.080 0.000 1.148 247 Y HN -0.177 nan 8.280 nan 0.000 0.525 248 F N -0.108 119.962 119.950 0.201 0.000 2.269 248 F HA -0.067 4.460 4.527 -0.000 0.000 0.301 248 F C 2.273 178.227 175.800 0.257 0.000 1.082 248 F CA 1.009 59.131 58.000 0.204 0.000 1.360 248 F CB -1.196 37.871 39.000 0.112 0.000 1.041 248 F HN 0.116 nan 8.300 nan 0.000 0.512 249 G N -0.745 108.271 108.800 0.360 0.000 2.679 249 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.212 249 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.212 249 G C 1.462 176.504 174.900 0.235 0.000 1.137 249 G CA 0.409 45.678 45.100 0.282 0.000 0.787 249 G HN 0.260 nan 8.290 nan 0.000 0.534 250 N N -0.011 118.829 118.700 0.232 0.000 2.407 250 N HA 0.257 4.997 4.740 -0.000 0.000 0.182 250 N C 1.087 176.589 175.510 -0.013 0.000 1.079 250 N CA 0.980 54.092 53.050 0.103 0.000 0.882 250 N CB 1.277 39.849 38.487 0.140 0.000 1.106 250 N HN 0.414 nan 8.380 nan 0.000 0.461 251 G N -0.212 108.670 108.800 0.136 0.000 2.368 251 G HA2 0.146 4.106 3.960 -0.000 0.000 0.269 251 G HA3 0.146 4.106 3.960 -0.000 0.000 0.269 251 G C -1.314 173.790 174.900 0.339 0.000 1.291 251 G CA -0.887 44.217 45.100 0.006 0.000 0.903 251 G HN -0.052 nan 8.290 nan 0.000 0.483 252 R N -1.035 119.594 120.500 0.215 0.000 2.652 252 R HA 0.616 4.955 4.340 -0.000 0.000 0.271 252 R C 0.010 176.426 176.300 0.194 0.000 1.129 252 R CA 0.026 56.245 56.100 0.198 0.000 1.200 252 R CB 1.212 31.589 30.300 0.128 0.000 1.146 252 R HN 1.042 nan 8.270 nan 0.000 0.581 253 V N -2.682 117.359 119.914 0.211 0.000 2.876 253 V HA 0.402 4.522 4.120 -0.000 0.000 0.312 253 V C -0.014 176.194 176.094 0.189 0.000 1.085 253 V CA -1.117 61.314 62.300 0.219 0.000 0.945 253 V CB 1.803 33.807 31.823 0.302 0.000 1.017 253 V HN 0.914 nan 8.190 nan 0.000 0.428 254 T N -0.069 114.612 114.554 0.212 0.000 2.853 254 T HA 0.362 4.712 4.350 -0.000 0.000 0.298 254 T C -0.063 174.725 174.700 0.146 0.000 0.978 254 T CA 0.083 62.311 62.100 0.213 0.000 1.152 254 T CB 0.756 69.772 68.868 0.248 0.000 0.914 254 T HN 1.020 nan 8.240 nan 0.000 0.539 255 E N 2.596 122.774 120.200 -0.037 0.000 1.986 255 E HA 0.299 4.649 4.350 -0.000 0.000 0.264 255 E C -0.334 176.045 176.600 -0.369 0.000 1.023 255 E CA -1.068 55.250 56.400 -0.137 0.000 0.834 255 E CB -0.586 29.012 29.700 -0.170 0.000 1.111 255 E HN 0.675 nan 8.360 nan 0.000 0.417 256 F N 2.441 122.308 119.950 -0.139 0.000 2.502 256 F HA 0.008 4.535 4.527 0.000 0.000 0.298 256 F C 1.698 177.372 175.800 -0.210 0.000 1.111 256 F CA 0.741 58.651 58.000 -0.152 0.000 1.445 256 F CB 0.180 39.191 39.000 0.019 0.000 1.081 256 F HN 0.378 nan 8.300 nan 0.000 0.558 257 K N -1.013 119.309 120.400 -0.129 0.000 2.211 257 K HA -0.205 4.115 4.320 -0.000 0.000 0.203 257 K C 1.730 178.076 176.600 -0.423 0.000 1.050 257 K CA 1.044 57.218 56.287 -0.190 0.000 0.945 257 K CB -0.363 32.042 32.500 -0.158 0.000 0.732 257 K HN 0.256 nan 8.250 nan 0.000 0.451 258 Y N 1.316 121.085 120.300 -0.885 0.000 2.049 258 Y HA -0.232 4.318 4.550 -0.001 0.000 0.277 258 Y C 2.435 178.193 175.900 -0.237 0.000 1.143 258 Y CA 2.082 59.719 58.100 -0.771 0.000 1.115 258 Y CB -0.740 37.281 38.460 -0.733 0.000 0.975 258 Y HN 0.044 nan 8.280 nan 0.000 0.487 259 G N -0.767 107.981 108.800 -0.087 0.000 2.422 259 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 259 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 259 G C 1.748 176.633 174.900 -0.025 0.000 1.140 259 G CA 0.838 45.916 45.100 -0.037 0.000 0.775 259 G HN 0.625 nan 8.290 nan 0.000 0.545 260 A N 0.747 123.565 122.820 -0.003 0.000 1.873 260 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 260 A C 2.386 179.996 177.584 0.043 0.000 1.186 260 A CA 1.823 53.885 52.037 0.041 0.000 0.616 260 A CB -0.235 18.817 19.000 0.085 0.000 0.823 260 A HN 0.184 nan 8.150 nan 0.000 0.442 261 K N -0.697 119.764 120.400 0.101 0.000 2.103 261 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 261 K C 1.848 178.443 176.600 -0.008 0.000 1.052 261 K CA 0.847 57.250 56.287 0.193 0.000 0.945 261 K CB -0.861 31.921 32.500 0.470 0.000 0.722 261 K HN 0.407 nan 8.250 nan 0.000 0.443 262 L N 0.891 122.041 121.223 -0.122 0.000 2.083 262 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 262 L C 2.023 178.672 176.870 -0.369 0.000 1.083 262 L CA 2.057 56.619 54.840 -0.462 0.000 0.752 262 L CB -1.075 40.688 42.059 -0.493 0.000 0.899 262 L HN 0.233 nan 8.230 nan 0.000 0.433 263 G N -1.773 106.882 108.800 -0.242 0.000 2.418 263 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 263 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 263 G C 1.527 176.182 174.900 -0.408 0.000 1.158 263 G CA 1.332 46.260 45.100 -0.288 0.000 0.771 263 G HN 0.513 nan 8.290 nan 0.000 0.545 264 T N -0.900 113.482 114.554 -0.287 0.000 2.821 264 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 264 T C 2.281 176.870 174.700 -0.184 0.000 1.046 264 T CA 1.402 63.362 62.100 -0.233 0.000 1.139 264 T CB -0.367 68.537 68.868 0.061 0.000 0.871 264 T HN 0.016 nan 8.240 nan 0.000 0.454 265 V N 1.235 121.029 119.914 -0.200 0.000 2.270 265 V HA -0.041 4.079 4.120 -0.000 0.000 0.245 265 V C 2.629 178.532 176.094 -0.319 0.000 1.043 265 V CA 1.328 63.489 62.300 -0.232 0.000 1.014 265 V CB -0.622 30.977 31.823 -0.374 0.000 0.645 265 V HN 0.365 nan 8.190 nan 0.000 0.447 266 I N -0.115 120.217 120.570 -0.396 0.000 2.394 266 I HA -0.132 4.037 4.170 -0.000 0.000 0.251 266 I C 2.394 178.337 176.117 -0.291 0.000 1.136 266 I CA 1.403 62.483 61.300 -0.367 0.000 1.425 266 I CB -0.662 37.114 38.000 -0.372 0.000 1.079 266 I HN 0.182 nan 8.210 nan 0.000 0.425 267 R N 0.574 120.857 120.500 -0.361 0.000 2.299 267 R HA 0.056 4.396 4.340 -0.000 0.000 0.197 267 R C 0.333 176.556 176.300 -0.129 0.000 0.971 267 R CA 0.056 55.935 56.100 -0.368 0.000 1.030 267 R CB -0.058 29.672 30.300 -0.951 0.000 0.932 267 R HN 0.200 nan 8.270 nan 0.000 0.477 268 K N -0.523 119.812 120.400 -0.108 0.000 3.117 268 K HA -0.162 4.158 4.320 -0.000 0.000 0.269 268 K C -0.995 175.733 176.600 0.214 0.000 1.098 268 K CA 0.356 56.651 56.287 0.013 0.000 0.785 268 K CB -1.020 31.474 32.500 -0.009 0.000 1.242 268 K HN 0.137 nan 8.250 nan 0.000 0.491 269 W N 1.209 122.492 121.300 -0.028 0.000 2.202 269 W HA 0.146 4.806 4.660 0.000 0.000 0.332 269 W C 1.104 177.629 176.519 0.010 0.000 1.263 269 W CA -0.136 57.205 57.345 -0.008 0.000 1.223 269 W CB -0.313 29.145 29.460 -0.002 0.000 1.128 269 W HN 0.302 nan 8.180 nan 0.000 0.573 270 N N 0.277 119.088 118.700 0.186 0.000 2.693 270 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 270 N C 0.851 176.431 175.510 0.116 0.000 1.119 270 N CA 0.700 53.817 53.050 0.112 0.000 0.717 270 N CB -1.298 37.263 38.487 0.123 0.000 1.071 270 N HN 0.947 nan 8.380 nan 0.000 0.555 271 G N -1.334 107.533 108.800 0.111 0.000 2.162 271 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.260 271 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.260 271 G C -0.059 174.897 174.900 0.094 0.000 0.976 271 G CA 0.430 45.587 45.100 0.094 0.000 0.655 271 G HN 0.513 nan 8.290 nan 0.000 0.533 272 E N 0.478 120.745 120.200 0.113 0.000 2.415 272 E HA 0.375 4.724 4.350 -0.000 0.000 0.262 272 E C 0.460 176.943 176.600 -0.196 0.000 1.038 272 E CA 0.567 57.016 56.400 0.082 0.000 0.921 272 E CB 0.599 30.384 29.700 0.142 0.000 0.950 272 E HN 0.521 nan 8.360 nan 0.000 0.438 273 K N 1.737 121.798 120.400 -0.564 0.000 2.469 273 K HA 0.310 4.630 4.320 -0.000 0.000 0.254 273 K C 0.991 177.307 176.600 -0.474 0.000 0.939 273 K CA -0.617 55.306 56.287 -0.607 0.000 0.812 273 K CB 1.649 33.655 32.500 -0.824 0.000 1.301 273 K HN 0.285 nan 8.250 nan 0.000 0.433 274 M N 0.838 120.227 119.600 -0.352 0.000 2.279 274 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 274 M C 1.745 178.000 176.300 -0.076 0.000 1.062 274 M CA 1.705 56.816 55.300 -0.317 0.000 1.099 274 M CB -0.243 32.139 32.600 -0.364 0.000 1.394 274 M HN 0.756 nan 8.290 nan 0.000 0.426 275 S N -0.419 115.253 115.700 -0.046 0.000 2.469 275 S HA -0.147 4.323 4.470 -0.000 0.000 0.238 275 S C 1.426 176.258 174.600 0.387 0.000 0.998 275 S CA 0.770 59.112 58.200 0.238 0.000 0.957 275 S CB -0.665 62.611 63.200 0.127 0.000 0.764 275 S HN 0.442 nan 8.310 nan 0.000 0.514 276 Y N 1.533 121.918 120.300 0.143 0.000 2.561 276 Y HA 0.337 4.886 4.550 -0.001 0.000 0.291 276 Y C 1.717 177.775 175.900 0.263 0.000 1.141 276 Y CA -0.830 57.374 58.100 0.173 0.000 1.303 276 Y CB -0.801 37.785 38.460 0.211 0.000 1.015 276 Y HN 0.304 nan 8.280 nan 0.000 0.547 277 L N -0.146 121.203 121.223 0.210 0.000 2.610 277 L HA -0.079 4.261 4.340 -0.000 0.000 0.232 277 L C 2.300 179.038 176.870 -0.221 0.000 1.149 277 L CA 0.492 55.283 54.840 -0.081 0.000 0.872 277 L CB -0.313 41.463 42.059 -0.472 0.000 0.992 277 L HN 0.087 nan 8.230 nan 0.000 0.447 278 K N 1.773 121.862 120.400 -0.518 0.000 2.074 278 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 278 K C 1.295 177.598 176.600 -0.495 0.000 1.048 278 K CA 1.875 57.452 56.287 -1.183 0.000 0.926 278 K CB 0.055 31.950 32.500 -1.008 0.000 0.713 278 K HN 0.423 nan 8.250 nan 0.000 0.444 279 N N -0.228 118.377 118.700 -0.158 0.000 2.320 279 N HA -0.085 4.655 4.740 -0.000 0.000 0.237 279 N C -0.531 174.997 175.510 0.030 0.000 1.129 279 N CA -0.451 52.558 53.050 -0.068 0.000 0.854 279 N CB -0.572 37.891 38.487 -0.039 0.000 1.083 279 N HN 0.267 nan 8.380 nan 0.000 0.504 280 W N 1.452 122.528 121.300 -0.373 0.000 2.314 280 W HA 0.277 4.936 4.660 -0.001 0.000 0.339 280 W C 0.515 176.639 176.519 -0.658 0.000 1.293 280 W CA 1.986 58.863 57.345 -0.779 0.000 1.288 280 W CB 0.349 29.274 29.460 -0.891 0.000 1.186 280 W HN 0.445 nan 8.180 nan 0.000 0.566 281 G N 3.926 111.922 108.800 -1.340 0.000 2.301 281 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.194 281 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.194 281 G C 0.265 174.645 174.900 -0.867 0.000 1.266 281 G CA 0.035 44.423 45.100 -1.185 0.000 1.210 281 G HN 0.444 nan 8.290 nan 0.000 0.524 282 E N 0.635 120.640 120.200 -0.325 0.000 2.209 282 E HA 0.031 4.381 4.350 -0.000 0.000 0.196 282 E C 2.486 178.961 176.600 -0.208 0.000 0.993 282 E CA 1.788 58.103 56.400 -0.143 0.000 0.819 282 E CB -0.521 29.185 29.700 0.011 0.000 0.745 282 E HN 0.815 nan 8.360 nan 0.000 0.477 283 G N -0.570 108.104 108.800 -0.210 0.000 2.498 283 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 283 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 283 G C 0.460 175.215 174.900 -0.242 0.000 1.119 283 G CA 0.305 45.306 45.100 -0.165 0.000 0.766 283 G HN 0.263 nan 8.290 nan 0.000 0.552 284 W N -0.181 120.683 121.300 -0.728 0.000 3.330 284 W HA 0.448 5.108 4.660 -0.001 0.000 0.348 284 W C 1.593 177.731 176.519 -0.636 0.000 1.205 284 W CA -0.267 56.586 57.345 -0.820 0.000 1.841 284 W CB 0.142 28.753 29.460 -1.415 0.000 1.084 284 W HN 0.282 nan 8.180 nan 0.000 0.665 285 G N -0.594 108.056 108.800 -0.249 0.000 2.141 285 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.242 285 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.242 285 G C 0.047 175.059 174.900 0.188 0.000 0.982 285 G CA -0.536 44.548 45.100 -0.026 0.000 0.662 285 G HN -0.014 nan 8.290 nan 0.000 0.527 286 F N 0.496 120.399 119.950 -0.078 0.000 2.403 286 F HA 0.592 5.119 4.527 -0.001 0.000 0.320 286 F C 1.489 177.347 175.800 0.098 0.000 1.176 286 F CA -1.332 56.636 58.000 -0.053 0.000 1.206 286 F CB 0.293 39.108 39.000 -0.309 0.000 1.235 286 F HN 0.332 nan 8.300 nan 0.000 0.565 287 V N -0.372 119.786 119.914 0.407 0.000 3.237 287 V HA 0.281 4.401 4.120 -0.000 0.000 0.305 287 V C -2.469 173.806 176.094 0.301 0.000 1.096 287 V CA -1.837 60.694 62.300 0.384 0.000 1.130 287 V CB -0.415 31.668 31.823 0.434 0.000 1.048 287 V HN 0.512 nan 8.190 nan 0.000 0.484 288 P HA 0.060 nan 4.420 nan 0.000 0.265 288 P C 0.972 178.220 177.300 -0.086 0.000 1.187 288 P CA 0.615 63.721 63.100 0.010 0.000 0.766 288 P CB 0.656 32.266 31.700 -0.149 0.000 0.820 289 S N 2.309 117.936 115.700 -0.123 0.000 2.387 289 S HA -0.197 4.273 4.470 -0.000 0.000 0.230 289 S C 1.287 175.679 174.600 -0.346 0.000 1.035 289 S CA 1.926 59.839 58.200 -0.479 0.000 1.014 289 S CB -0.886 62.119 63.200 -0.325 0.000 0.836 289 S HN 0.631 nan 8.310 nan 0.000 0.466 290 D N -0.354 119.904 120.400 -0.236 0.000 2.363 290 D HA -0.020 4.620 4.640 -0.000 0.000 0.226 290 D C 1.245 177.416 176.300 -0.216 0.000 1.020 290 D CA 0.269 54.148 54.000 -0.202 0.000 0.892 290 D CB -0.231 40.453 40.800 -0.194 0.000 0.900 290 D HN 0.277 nan 8.370 nan 0.000 0.531 291 R N -0.140 120.198 120.500 -0.269 0.000 2.535 291 R HA 0.445 4.784 4.340 -0.000 0.000 0.323 291 R C -0.134 176.114 176.300 -0.087 0.000 0.979 291 R CA -0.233 55.719 56.100 -0.246 0.000 1.120 291 R CB 0.905 30.782 30.300 -0.705 0.000 1.306 291 R HN 0.167 nan 8.270 nan 0.000 0.540 292 A N 1.502 124.248 122.820 -0.124 0.000 2.317 292 A HA 0.535 4.855 4.320 -0.000 0.000 0.327 292 A C -0.647 176.905 177.584 -0.054 0.000 1.178 292 A CA -0.493 51.490 52.037 -0.091 0.000 0.817 292 A CB 1.047 19.906 19.000 -0.234 0.000 1.189 292 A HN 0.123 nan 8.150 nan 0.000 0.489 293 L N 5.232 126.454 121.223 -0.001 0.000 2.295 293 L HA 0.595 4.935 4.340 -0.000 0.000 0.281 293 L C -0.352 176.511 176.870 -0.012 0.000 1.018 293 L CA -0.304 54.544 54.840 0.013 0.000 0.841 293 L CB 0.731 42.772 42.059 -0.029 0.000 1.218 293 L HN 0.671 nan 8.230 nan 0.000 0.424 294 V N 3.239 123.059 119.914 -0.157 0.000 2.975 294 V HA 0.838 4.957 4.120 -0.000 0.000 0.318 294 V C -0.676 175.311 176.094 -0.177 0.000 1.077 294 V CA -0.589 61.433 62.300 -0.463 0.000 1.000 294 V CB 1.857 33.062 31.823 -1.031 0.000 1.066 294 V HN 0.705 nan 8.190 nan 0.000 0.452 295 F N -0.881 118.835 119.950 -0.390 0.000 2.769 295 F HA 0.711 5.238 4.527 -0.001 0.000 0.313 295 F C -0.045 175.746 175.800 -0.014 0.000 1.146 295 F CA -0.878 57.012 58.000 -0.183 0.000 0.934 295 F CB 0.602 39.505 39.000 -0.162 0.000 1.283 295 F HN 0.250 nan 8.300 nan 0.000 0.443 296 V N 0.142 120.163 119.914 0.179 0.000 2.346 296 V HA 0.026 4.146 4.120 -0.000 0.000 0.244 296 V C 0.220 176.469 176.094 0.258 0.000 1.037 296 V CA 2.074 64.471 62.300 0.161 0.000 1.029 296 V CB -0.524 31.342 31.823 0.073 0.000 0.663 296 V HN 0.923 nan 8.190 nan 0.000 0.454 297 D N -0.545 120.095 120.400 0.400 0.000 2.570 297 D HA 0.303 4.942 4.640 -0.000 0.000 0.244 297 D C -0.972 175.529 176.300 0.335 0.000 1.178 297 D CA -0.643 53.586 54.000 0.382 0.000 0.881 297 D CB 1.809 42.790 40.800 0.301 0.000 1.453 297 D HN 0.277 nan 8.370 nan 0.000 0.447 298 N N -1.630 117.175 118.700 0.174 0.000 2.701 298 N HA 0.098 4.837 4.740 -0.000 0.000 0.290 298 N C 1.149 176.559 175.510 -0.168 0.000 1.338 298 N CA -0.497 52.515 53.050 -0.063 0.000 0.799 298 N CB 0.408 38.704 38.487 -0.320 0.000 1.491 298 N HN 0.609 nan 8.380 nan 0.000 0.540 299 H N -1.217 117.666 119.070 -0.311 0.000 2.456 299 H HA -0.023 4.533 4.556 -0.000 0.000 0.296 299 H C -0.173 174.760 175.328 -0.658 0.000 1.079 299 H CA 1.237 56.818 56.048 -0.778 0.000 1.322 299 H CB 0.028 29.010 29.762 -1.299 0.000 1.388 299 H HN 0.495 nan 8.280 nan 0.000 0.538 300 D N 1.472 121.313 120.400 -0.931 0.000 2.146 300 D HA -0.122 4.518 4.640 -0.000 0.000 0.209 300 D C 1.934 178.162 176.300 -0.119 0.000 0.973 300 D CA 1.365 55.067 54.000 -0.495 0.000 0.860 300 D CB -0.188 40.406 40.800 -0.343 0.000 1.015 300 D HN 0.563 nan 8.370 nan 0.000 0.465 301 N N 1.138 119.831 118.700 -0.012 0.000 2.515 301 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 301 N C 1.472 177.055 175.510 0.122 0.000 1.109 301 N CA 0.616 53.733 53.050 0.112 0.000 0.903 301 N CB -0.711 37.899 38.487 0.205 0.000 0.969 301 N HN 0.359 nan 8.380 nan 0.000 0.450 302 Q N 0.592 120.433 119.800 0.067 0.000 2.436 302 Q HA -0.042 4.298 4.340 -0.000 0.000 0.209 302 Q C 0.599 176.756 176.000 0.261 0.000 0.965 302 Q CA 0.615 56.505 55.803 0.145 0.000 0.910 302 Q CB -0.115 28.692 28.738 0.116 0.000 0.980 302 Q HN 0.566 nan 8.270 nan 0.000 0.491 303 R N -0.650 119.951 120.500 0.168 0.000 2.700 303 R HA 0.415 4.755 4.340 -0.000 0.000 0.399 303 R C 0.451 176.936 176.300 0.307 0.000 1.115 303 R CA -0.032 56.223 56.100 0.259 0.000 1.058 303 R CB 0.243 30.500 30.300 -0.071 0.000 1.389 303 R HN 0.172 nan 8.270 nan 0.000 0.582 304 G N 1.282 110.240 108.800 0.263 0.000 2.283 304 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.280 304 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.280 304 G C 0.246 175.260 174.900 0.190 0.000 1.029 304 G CA 0.584 45.821 45.100 0.228 0.000 0.840 304 G HN 0.659 nan 8.290 nan 0.000 0.505 305 H N -0.648 118.492 119.070 0.116 0.000 2.755 305 H HA 0.374 4.930 4.556 -0.000 0.000 0.273 305 H C 1.388 176.746 175.328 0.050 0.000 1.055 305 H CA 0.958 57.083 56.048 0.129 0.000 1.191 305 H CB 0.969 30.889 29.762 0.265 0.000 1.536 305 H HN 0.582 nan 8.280 nan 0.000 0.529 306 G N -0.407 108.451 108.800 0.098 0.000 3.086 306 G HA2 0.527 4.487 3.960 -0.000 0.000 0.282 306 G HA3 0.527 4.487 3.960 -0.000 0.000 0.282 306 G C -0.520 174.374 174.900 -0.010 0.000 1.343 306 G CA -0.033 45.072 45.100 0.008 0.000 0.895 306 G HN 0.241 nan 8.290 nan 0.000 0.557 307 A N -1.875 120.894 122.820 -0.085 0.000 2.261 307 A HA 0.558 4.877 4.320 -0.000 0.000 0.275 307 A C 1.912 179.558 177.584 0.103 0.000 1.246 307 A CA 1.441 53.452 52.037 -0.044 0.000 0.810 307 A CB -0.844 18.058 19.000 -0.163 0.000 1.168 307 A HN 2.669 nan 8.150 nan 0.000 0.506 308 G N -2.162 106.706 108.800 0.114 0.000 2.507 308 G HA2 0.095 4.054 3.960 -0.000 0.000 0.240 308 G HA3 0.095 4.054 3.960 -0.000 0.000 0.240 308 G C 1.857 176.827 174.900 0.116 0.000 1.119 308 G CA 1.218 46.395 45.100 0.129 0.000 0.664 308 G HN 2.961 nan 8.290 nan 0.000 0.516 309 G N -0.236 108.629 108.800 0.110 0.000 2.539 309 G HA2 0.176 4.136 3.960 -0.000 0.000 0.256 309 G HA3 0.176 4.136 3.960 -0.000 0.000 0.256 309 G C 1.295 176.286 174.900 0.153 0.000 1.233 309 G CA 2.265 47.438 45.100 0.121 0.000 0.936 309 G HN 2.023 nan 8.290 nan 0.000 0.571 310 A N -0.272 122.670 122.820 0.205 0.000 2.168 310 A HA 0.360 4.680 4.320 -0.000 0.000 0.215 310 A C 2.587 180.306 177.584 0.226 0.000 1.152 310 A CA 2.575 54.764 52.037 0.254 0.000 0.716 310 A CB -0.622 18.564 19.000 0.310 0.000 0.794 310 A HN 2.180 nan 8.150 nan 0.000 0.465 311 S N -0.339 115.432 115.700 0.117 0.000 2.489 311 S HA 0.090 4.560 4.470 -0.000 0.000 0.228 311 S C 0.743 175.209 174.600 -0.222 0.000 0.995 311 S CA -0.154 57.847 58.200 -0.332 0.000 0.934 311 S CB -0.427 62.657 63.200 -0.194 0.000 0.771 311 S HN 0.256 nan 8.310 nan 0.000 0.522 312 I N 2.917 123.470 120.570 -0.029 0.000 2.683 312 I HA 0.133 4.303 4.170 -0.000 0.000 0.286 312 I C 0.344 176.480 176.117 0.031 0.000 1.175 312 I CA -0.184 61.135 61.300 0.031 0.000 1.429 312 I CB -0.328 37.741 38.000 0.115 0.000 1.371 312 I HN 0.330 nan 8.210 nan 0.000 0.569 313 L N 6.779 128.043 121.223 0.069 0.000 2.334 313 L HA 0.450 4.790 4.340 -0.000 0.000 0.277 313 L C 0.648 177.656 176.870 0.229 0.000 1.075 313 L CA -0.225 54.699 54.840 0.141 0.000 0.804 313 L CB 1.578 43.741 42.059 0.173 0.000 1.174 313 L HN 0.785 nan 8.230 nan 0.000 0.438 314 T N -1.784 112.773 114.554 0.004 0.000 2.804 314 T HA 0.331 4.681 4.350 -0.000 0.000 0.290 314 T C 0.781 174.985 174.700 -0.826 0.000 1.099 314 T CA -0.622 61.208 62.100 -0.451 0.000 1.011 314 T CB 0.756 69.488 68.868 -0.227 0.000 1.291 314 T HN 0.425 nan 8.240 nan 0.000 0.523 315 F N -1.128 118.278 119.950 -0.907 0.000 2.307 315 F HA 0.155 4.682 4.527 -0.000 0.000 0.301 315 F C 1.685 177.395 175.800 -0.149 0.000 1.076 315 F CA 0.107 57.795 58.000 -0.519 0.000 1.383 315 F CB -0.978 37.745 39.000 -0.462 0.000 1.055 315 F HN 0.551 nan 8.300 nan 0.000 0.526 316 W N 1.637 122.506 121.300 -0.719 0.000 2.392 316 W HA -0.103 4.557 4.660 0.000 0.000 0.279 316 W C 0.754 177.203 176.519 -0.117 0.000 1.225 316 W CA 0.871 57.970 57.345 -0.410 0.000 1.233 316 W CB -0.180 28.970 29.460 -0.517 0.000 1.122 316 W HN 0.005 nan 8.180 nan 0.000 0.561 317 D N 0.003 120.476 120.400 0.122 0.000 3.163 317 D HA 0.249 4.889 4.640 -0.000 0.000 0.284 317 D C 1.478 177.913 176.300 0.227 0.000 1.368 317 D CA 0.297 54.386 54.000 0.148 0.000 0.895 317 D CB 0.083 40.950 40.800 0.112 0.000 1.061 317 D HN 0.025 nan 8.370 nan 0.000 0.496 318 A N 1.426 124.406 122.820 0.266 0.000 1.906 318 A HA -0.349 3.970 4.320 -0.000 0.000 0.222 318 A C 2.206 179.993 177.584 0.339 0.000 1.282 318 A CA 1.907 54.171 52.037 0.377 0.000 0.675 318 A CB -0.477 18.632 19.000 0.182 0.000 0.838 318 A HN 0.326 nan 8.150 nan 0.000 0.469 319 R N -0.663 119.959 120.500 0.203 0.000 2.082 319 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 319 R C 2.192 178.599 176.300 0.178 0.000 1.136 319 R CA 1.938 58.142 56.100 0.173 0.000 0.935 319 R CB -0.438 29.928 30.300 0.110 0.000 0.842 319 R HN 0.571 nan 8.270 nan 0.000 0.430 320 L N -0.719 120.586 121.223 0.138 0.000 2.093 320 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 320 L C 2.325 179.257 176.870 0.104 0.000 1.085 320 L CA 1.036 55.917 54.840 0.068 0.000 0.755 320 L CB -0.581 41.488 42.059 0.017 0.000 0.904 320 L HN 0.307 nan 8.230 nan 0.000 0.435 321 Y N 1.353 121.701 120.300 0.080 0.000 2.128 321 Y HA -0.284 4.266 4.550 -0.000 0.000 0.284 321 Y C 2.580 178.561 175.900 0.135 0.000 1.154 321 Y CA 1.631 59.796 58.100 0.108 0.000 1.149 321 Y CB -0.133 38.443 38.460 0.194 0.000 0.976 321 Y HN -0.012 nan 8.280 nan 0.000 0.505 322 K N -0.554 120.010 120.400 0.273 0.000 2.103 322 K HA -0.245 4.075 4.320 -0.000 0.000 0.207 322 K C 2.234 178.834 176.600 0.000 0.000 1.048 322 K CA 1.878 58.310 56.287 0.243 0.000 0.930 322 K CB -0.280 32.502 32.500 0.469 0.000 0.716 322 K HN 0.396 nan 8.250 nan 0.000 0.444 323 M N 0.364 119.887 119.600 -0.128 0.000 2.132 323 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 323 M C 2.076 178.150 176.300 -0.376 0.000 1.065 323 M CA 1.648 56.652 55.300 -0.494 0.000 1.122 323 M CB -0.040 32.395 32.600 -0.275 0.000 1.365 323 M HN 0.169 nan 8.290 nan 0.000 0.411 324 A N -0.736 121.914 122.820 -0.283 0.000 1.877 324 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 324 A C 2.059 179.532 177.584 -0.185 0.000 1.186 324 A CA 1.901 53.773 52.037 -0.275 0.000 0.620 324 A CB -1.176 17.683 19.000 -0.235 0.000 0.822 324 A HN 0.385 nan 8.150 nan 0.000 0.443 325 V N -0.047 119.712 119.914 -0.258 0.000 2.407 325 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 325 V C 2.778 178.837 176.094 -0.059 0.000 1.055 325 V CA 1.872 64.058 62.300 -0.191 0.000 1.049 325 V CB -1.381 30.252 31.823 -0.317 0.000 0.662 325 V HN 0.622 nan 8.190 nan 0.000 0.455 326 G N -0.921 107.837 108.800 -0.069 0.000 2.418 326 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 326 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 326 G C 1.569 176.520 174.900 0.085 0.000 1.158 326 G CA 0.944 46.046 45.100 0.002 0.000 0.771 326 G HN 0.484 nan 8.290 nan 0.000 0.545 327 F N 0.931 120.848 119.950 -0.055 0.000 2.102 327 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 327 F C 2.642 178.494 175.800 0.087 0.000 1.105 327 F CA 2.073 60.045 58.000 -0.045 0.000 1.239 327 F CB -0.089 38.565 39.000 -0.576 0.000 0.991 327 F HN 0.160 nan 8.300 nan 0.000 0.474 328 M N -0.031 119.691 119.600 0.203 0.000 2.080 328 M HA -0.225 4.254 4.480 -0.000 0.000 0.260 328 M C 1.966 178.353 176.300 0.144 0.000 1.068 328 M CA 1.955 57.424 55.300 0.281 0.000 1.109 328 M CB -0.463 32.304 32.600 0.279 0.000 1.342 328 M HN 0.295 nan 8.290 nan 0.000 0.405 329 L N 0.029 121.287 121.223 0.057 0.000 2.275 329 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 329 L C 2.584 179.497 176.870 0.072 0.000 1.119 329 L CA 0.832 55.688 54.840 0.025 0.000 0.790 329 L CB -0.714 41.339 42.059 -0.011 0.000 0.919 329 L HN 0.436 nan 8.230 nan 0.000 0.443 330 A N -2.147 120.692 122.820 0.031 0.000 2.030 330 A HA -0.067 4.252 4.320 -0.000 0.000 0.215 330 A C 1.165 178.979 177.584 0.384 0.000 1.164 330 A CA 0.193 52.293 52.037 0.106 0.000 0.697 330 A CB -0.329 18.532 19.000 -0.232 0.000 0.827 330 A HN 0.286 nan 8.150 nan 0.000 0.457 331 H N 0.932 120.091 119.070 0.149 0.000 2.610 331 H HA 0.176 4.732 4.556 -0.000 0.000 0.336 331 H C -1.710 173.701 175.328 0.139 0.000 1.087 331 H CA -1.376 54.714 56.048 0.069 0.000 1.405 331 H CB 1.515 31.165 29.762 -0.186 0.000 1.460 331 H HN 0.103 nan 8.280 nan 0.000 0.538 332 P HA -0.145 nan 4.420 nan 0.000 0.226 332 P C 0.247 177.642 177.300 0.159 0.000 1.153 332 P CA 0.580 63.707 63.100 0.045 0.000 0.777 332 P CB -0.201 31.482 31.700 -0.029 0.000 0.794 333 Y N 2.284 122.762 120.300 0.298 0.000 2.544 333 Y HA 0.326 4.875 4.550 -0.000 0.000 0.330 333 Y C 1.251 177.202 175.900 0.084 0.000 1.136 333 Y CA 1.266 59.484 58.100 0.195 0.000 1.417 333 Y CB -0.295 38.289 38.460 0.207 0.000 1.229 333 Y HN 0.309 nan 8.280 nan 0.000 0.532 334 G N 4.639 113.037 108.800 -0.670 0.000 2.877 334 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.279 334 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.279 334 G C -1.284 173.516 174.900 -0.167 0.000 1.431 334 G CA -0.242 44.549 45.100 -0.515 0.000 0.883 334 G HN 0.929 nan 8.290 nan 0.000 0.547 335 F N 2.005 121.808 119.950 -0.246 0.000 2.404 335 F HA 0.623 5.150 4.527 -0.001 0.000 0.354 335 F C 1.221 176.909 175.800 -0.186 0.000 1.122 335 F CA 0.070 57.958 58.000 -0.187 0.000 1.080 335 F CB 1.334 40.234 39.000 -0.166 0.000 1.131 335 F HN 0.805 nan 8.300 nan 0.000 0.471 336 T N 4.252 118.349 114.554 -0.762 0.000 2.845 336 T HA 0.413 4.763 4.350 -0.000 0.000 0.288 336 T C -0.339 174.068 174.700 -0.489 0.000 0.980 336 T CA -0.890 60.910 62.100 -0.501 0.000 1.071 336 T CB 1.363 70.013 68.868 -0.364 0.000 0.941 336 T HN 0.780 nan 8.240 nan 0.000 0.487 337 R N 2.356 122.726 120.500 -0.217 0.000 2.439 337 R HA 0.581 4.920 4.340 -0.000 0.000 0.310 337 R C -1.501 174.790 176.300 -0.014 0.000 0.955 337 R CA -0.695 55.335 56.100 -0.118 0.000 0.853 337 R CB 1.409 31.644 30.300 -0.108 0.000 1.171 337 R HN 0.600 nan 8.270 nan 0.000 0.449 338 V N 5.541 125.466 119.914 0.019 0.000 2.481 338 V HA 0.306 4.425 4.120 -0.000 0.000 0.286 338 V C 0.272 176.430 176.094 0.106 0.000 1.042 338 V CA -0.674 61.674 62.300 0.079 0.000 0.928 338 V CB 1.484 33.387 31.823 0.132 0.000 0.986 338 V HN 0.795 nan 8.190 nan 0.000 0.462 339 M N 4.168 123.852 119.600 0.140 0.000 2.249 339 M HA 0.460 4.940 4.480 -0.000 0.000 0.351 339 M C -0.121 176.225 176.300 0.077 0.000 1.180 339 M CA 0.706 56.086 55.300 0.132 0.000 1.127 339 M CB 1.421 34.130 32.600 0.181 0.000 1.546 339 M HN 0.610 nan 8.290 nan 0.000 0.461 340 S N 2.819 118.531 115.700 0.020 0.000 2.756 340 S HA 0.788 5.257 4.470 -0.000 0.000 0.303 340 S C -1.181 173.493 174.600 0.124 0.000 1.135 340 S CA -0.621 57.603 58.200 0.038 0.000 1.066 340 S CB 0.526 63.687 63.200 -0.065 0.000 1.008 340 S HN 0.852 nan 8.310 nan 0.000 0.482 341 S N 3.032 118.788 115.700 0.093 0.000 2.806 341 S HA 0.796 5.266 4.470 -0.000 0.000 0.315 341 S C -1.281 173.436 174.600 0.195 0.000 1.127 341 S CA -0.810 57.476 58.200 0.143 0.000 0.918 341 S CB 0.646 63.849 63.200 0.005 0.000 1.240 341 S HN 0.770 nan 8.310 nan 0.000 0.552 342 Y N -0.851 119.553 120.300 0.172 0.000 2.524 342 Y HA 0.767 5.317 4.550 -0.001 0.000 0.344 342 Y C -0.265 175.660 175.900 0.041 0.000 1.012 342 Y CA -1.358 56.724 58.100 -0.030 0.000 1.068 342 Y CB 0.812 39.105 38.460 -0.278 0.000 1.249 342 Y HN 0.519 nan 8.280 nan 0.000 0.468 343 R N 1.796 122.379 120.500 0.139 0.000 2.490 343 R HA 0.439 4.779 4.340 -0.000 0.000 0.278 343 R C -1.579 175.039 176.300 0.531 0.000 1.069 343 R CA -0.348 55.872 56.100 0.200 0.000 1.080 343 R CB 0.750 31.044 30.300 -0.011 0.000 1.030 343 R HN 0.961 nan 8.270 nan 0.000 0.491 344 W N 3.385 124.921 121.300 0.394 0.000 3.083 344 W HA 0.470 5.130 4.660 -0.001 0.000 0.333 344 W C -2.552 174.116 176.519 0.248 0.000 1.217 344 W CA -2.311 55.199 57.345 0.274 0.000 1.170 344 W CB 0.488 30.101 29.460 0.254 0.000 1.437 344 W HN 0.374 nan 8.180 nan 0.000 0.557 345 P HA 0.057 nan 4.420 nan 0.000 0.241 345 P C -0.085 177.146 177.300 -0.116 0.000 1.760 345 P CA 0.084 63.191 63.100 0.011 0.000 1.081 345 P CB 0.088 31.816 31.700 0.048 0.000 1.975 346 R N 2.329 122.534 120.500 -0.491 0.000 2.480 346 R HA 0.027 4.367 4.340 -0.000 0.000 0.303 346 R C 0.452 176.495 176.300 -0.428 0.000 0.985 346 R CA 0.627 56.350 56.100 -0.627 0.000 1.051 346 R CB 0.252 29.808 30.300 -1.240 0.000 0.935 346 R HN 0.473 nan 8.270 nan 0.000 0.410 347 Q N 4.504 124.108 119.800 -0.327 0.000 2.397 347 Q HA 0.195 4.535 4.340 -0.000 0.000 0.260 347 Q C -1.383 174.509 176.000 -0.180 0.000 1.002 347 Q CA -0.555 55.140 55.803 -0.180 0.000 0.716 347 Q CB 0.847 29.560 28.738 -0.040 0.000 1.258 347 Q HN 0.356 nan 8.270 nan 0.000 0.477 348 F N 2.029 121.963 119.950 -0.027 0.000 2.427 348 F HA 0.265 4.792 4.527 -0.001 0.000 0.352 348 F C 0.545 176.354 175.800 0.015 0.000 1.100 348 F CA 0.194 58.192 58.000 -0.004 0.000 1.191 348 F CB 1.026 40.003 39.000 -0.039 0.000 1.128 348 F HN 0.287 nan 8.300 nan 0.000 0.533 349 Q N 3.040 122.992 119.800 0.253 0.000 2.294 349 Q HA 0.256 4.596 4.340 -0.000 0.000 0.264 349 Q C -0.574 175.511 176.000 0.141 0.000 0.992 349 Q CA -0.708 55.188 55.803 0.156 0.000 0.747 349 Q CB 1.402 30.212 28.738 0.120 0.000 1.262 349 Q HN 0.637 nan 8.270 nan 0.000 0.452 350 N N 1.379 120.139 118.700 0.099 0.000 2.776 350 N HA -0.205 4.534 4.740 -0.000 0.000 0.249 350 N C 0.478 176.029 175.510 0.069 0.000 1.111 350 N CA 1.513 54.602 53.050 0.066 0.000 0.711 350 N CB -1.164 37.359 38.487 0.060 0.000 1.065 350 N HN 1.109 nan 8.380 nan 0.000 0.556 351 G N -0.602 108.245 108.800 0.079 0.000 2.157 351 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.248 351 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.248 351 G C -0.186 174.841 174.900 0.211 0.000 0.979 351 G CA 0.578 45.697 45.100 0.031 0.000 0.650 351 G HN 0.999 nan 8.290 nan 0.000 0.529 352 N N -0.446 118.471 118.700 0.362 0.000 2.249 352 N HA 0.479 5.218 4.740 -0.000 0.000 0.296 352 N C -1.141 174.574 175.510 0.341 0.000 1.051 352 N CA -0.622 52.659 53.050 0.385 0.000 0.815 352 N CB 1.956 40.568 38.487 0.208 0.000 1.487 352 N HN -0.037 nan 8.380 nan 0.000 0.475 353 D N 2.847 123.328 120.400 0.136 0.000 2.374 353 D HA 0.014 4.654 4.640 -0.000 0.000 0.240 353 D C 1.386 177.732 176.300 0.077 0.000 1.229 353 D CA -0.609 53.266 54.000 -0.208 0.000 0.895 353 D CB 1.034 41.611 40.800 -0.372 0.000 1.046 353 D HN 0.461 nan 8.370 nan 0.000 0.498 354 V N 1.822 121.797 119.914 0.101 0.000 3.078 354 V HA -0.012 4.108 4.120 -0.000 0.000 0.265 354 V C 0.808 177.094 176.094 0.319 0.000 1.122 354 V CA 0.895 63.330 62.300 0.225 0.000 1.141 354 V CB -0.491 31.451 31.823 0.198 0.000 0.735 354 V HN 0.365 nan 8.190 nan 0.000 0.498 355 N N 1.519 120.314 118.700 0.157 0.000 2.275 355 N HA 0.083 4.823 4.740 -0.000 0.000 0.236 355 N C 0.804 176.233 175.510 -0.136 0.000 1.154 355 N CA 0.722 53.729 53.050 -0.072 0.000 0.866 355 N CB 0.294 38.778 38.487 -0.004 0.000 1.093 355 N HN 0.800 nan 8.380 nan 0.000 0.515 356 D N -0.505 119.976 120.400 0.134 0.000 2.378 356 D HA -0.131 4.508 4.640 -0.000 0.000 0.227 356 D C 1.554 178.033 176.300 0.298 0.000 1.012 356 D CA 0.186 54.280 54.000 0.158 0.000 0.905 356 D CB -0.455 40.582 40.800 0.395 0.000 0.895 356 D HN 0.489 nan 8.370 nan 0.000 0.532 357 W N 0.571 122.089 121.300 0.363 0.000 2.812 357 W HA 0.283 4.942 4.660 -0.001 0.000 0.263 357 W C -0.225 176.397 176.519 0.172 0.000 1.284 357 W CA -0.597 56.961 57.345 0.354 0.000 1.430 357 W CB -0.675 29.006 29.460 0.368 0.000 1.088 357 W HN -0.304 nan 8.180 nan 0.000 0.623 358 V N 3.482 122.989 119.914 -0.677 0.000 2.625 358 V HA 0.085 4.205 4.120 -0.000 0.000 0.305 358 V C 1.453 177.564 176.094 0.029 0.000 1.055 358 V CA 1.100 63.032 62.300 -0.613 0.000 1.209 358 V CB -0.429 31.063 31.823 -0.552 0.000 0.877 358 V HN 0.187 nan 8.190 nan 0.000 0.489 359 G N 6.695 115.503 108.800 0.013 0.000 2.535 359 G HA2 0.472 4.432 3.960 -0.000 0.000 0.282 359 G HA3 0.472 4.432 3.960 -0.000 0.000 0.282 359 G C -2.364 172.249 174.900 -0.478 0.000 1.350 359 G CA -1.025 44.053 45.100 -0.037 0.000 1.039 359 G HN 0.641 nan 8.290 nan 0.000 0.509 360 P HA 0.172 nan 4.420 nan 0.000 0.271 360 P C -2.631 174.124 177.300 -0.908 0.000 1.233 360 P CA -0.988 61.225 63.100 -1.477 0.000 0.789 360 P CB -0.218 30.993 31.700 -0.814 0.000 0.951 361 P HA 0.038 nan 4.420 nan 0.000 0.262 361 P C -0.329 176.743 177.300 -0.380 0.000 1.182 361 P CA 0.752 63.470 63.100 -0.637 0.000 0.761 361 P CB -0.203 30.972 31.700 -0.875 0.000 0.795 362 N N 0.658 119.234 118.700 -0.206 0.000 2.823 362 N HA 0.362 5.102 4.740 -0.000 0.000 0.251 362 N C -1.640 173.852 175.510 -0.030 0.000 1.392 362 N CA -1.047 51.947 53.050 -0.094 0.000 0.864 362 N CB 1.110 39.569 38.487 -0.048 0.000 1.481 362 N HN 0.072 nan 8.380 nan 0.000 0.508 363 N N 0.333 119.034 118.700 0.001 0.000 2.569 363 N HA 0.405 5.145 4.740 -0.000 0.000 0.254 363 N C -0.998 174.547 175.510 0.058 0.000 1.004 363 N CA -0.765 52.293 53.050 0.014 0.000 0.904 363 N CB 0.772 39.259 38.487 -0.001 0.000 1.165 363 N HN 0.634 nan 8.380 nan 0.000 0.513 364 N N 1.954 120.699 118.700 0.076 0.000 2.725 364 N HA -0.248 4.492 4.740 -0.000 0.000 0.249 364 N C 0.708 176.414 175.510 0.326 0.000 1.103 364 N CA 0.890 54.022 53.050 0.137 0.000 0.707 364 N CB -0.578 37.958 38.487 0.080 0.000 1.043 364 N HN 0.995 nan 8.380 nan 0.000 0.553 365 G N -1.849 107.179 108.800 0.379 0.000 2.234 365 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.235 365 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.235 365 G C 0.030 174.946 174.900 0.025 0.000 0.997 365 G CA 0.163 45.385 45.100 0.204 0.000 0.623 365 G HN 0.338 nan 8.290 nan 0.000 0.514 366 V N 3.161 123.098 119.914 0.038 0.000 2.408 366 V HA 0.402 4.521 4.120 -0.000 0.000 0.267 366 V C 1.289 177.363 176.094 -0.035 0.000 1.047 366 V CA -0.553 61.740 62.300 -0.011 0.000 0.937 366 V CB 1.107 32.932 31.823 0.003 0.000 0.999 366 V HN 0.351 nan 8.190 nan 0.000 0.472 367 I N 5.388 125.919 120.570 -0.065 0.000 2.752 367 I HA 0.003 4.173 4.170 -0.000 0.000 0.289 367 I C 0.945 177.060 176.117 -0.005 0.000 1.197 367 I CA 0.325 61.592 61.300 -0.056 0.000 1.432 367 I CB 0.132 38.098 38.000 -0.057 0.000 1.359 367 I HN 0.577 nan 8.210 nan 0.000 0.571 368 K N 6.618 127.032 120.400 0.024 0.000 2.326 368 K HA 0.121 4.441 4.320 -0.000 0.000 0.275 368 K C 0.078 176.774 176.600 0.160 0.000 1.018 368 K CA -0.429 55.897 56.287 0.066 0.000 0.962 368 K CB 0.540 33.050 32.500 0.017 0.000 0.953 368 K HN 0.547 nan 8.250 nan 0.000 0.475 369 E N 0.633 120.857 120.200 0.039 0.000 2.408 369 E HA 0.094 4.443 4.350 -0.000 0.000 0.259 369 E C -0.610 175.920 176.600 -0.115 0.000 1.110 369 E CA -0.736 55.616 56.400 -0.080 0.000 0.929 369 E CB 0.463 30.113 29.700 -0.082 0.000 0.971 369 E HN 0.063 nan 8.360 nan 0.000 0.438 370 V N 2.572 122.200 119.914 -0.477 0.000 2.372 370 V HA 0.120 4.240 4.120 -0.000 0.000 0.261 370 V C 0.287 176.213 176.094 -0.280 0.000 1.055 370 V CA -0.379 61.524 62.300 -0.662 0.000 0.930 370 V CB 0.169 31.162 31.823 -1.382 0.000 1.031 370 V HN 0.807 nan 8.190 nan 0.000 0.479 371 T N 4.093 118.587 114.554 -0.100 0.000 2.882 371 T HA 0.653 5.003 4.350 -0.000 0.000 0.287 371 T C -0.413 174.264 174.700 -0.039 0.000 0.992 371 T CA -0.721 61.349 62.100 -0.050 0.000 1.076 371 T CB 1.409 70.274 68.868 -0.006 0.000 0.961 371 T HN 0.219 nan 8.240 nan 0.000 0.490 372 I N 3.217 123.770 120.570 -0.028 0.000 2.354 372 I HA 0.355 4.524 4.170 -0.000 0.000 0.292 372 I C 0.248 176.366 176.117 0.002 0.000 0.989 372 I CA -1.031 60.260 61.300 -0.015 0.000 1.188 372 I CB 1.047 39.042 38.000 -0.008 0.000 1.342 372 I HN 0.681 nan 8.210 nan 0.000 0.457 373 N N 8.363 127.067 118.700 0.008 0.000 2.445 373 N HA 0.290 5.030 4.740 -0.000 0.000 0.264 373 N C -1.488 174.033 175.510 0.019 0.000 1.227 373 N CA -1.410 51.648 53.050 0.013 0.000 0.963 373 N CB 0.587 39.083 38.487 0.014 0.000 1.188 373 N HN 0.339 nan 8.380 nan 0.000 0.491 374 P HA -0.130 nan 4.420 nan 0.000 0.219 374 P C 0.197 177.515 177.300 0.029 0.000 1.146 374 P CA 1.311 64.425 63.100 0.023 0.000 0.808 374 P CB 0.156 31.867 31.700 0.018 0.000 0.779 375 D N -1.149 119.267 120.400 0.026 0.000 2.325 375 D HA -0.032 4.607 4.640 -0.000 0.000 0.234 375 D C 0.748 177.076 176.300 0.046 0.000 1.122 375 D CA 0.972 54.991 54.000 0.031 0.000 0.850 375 D CB -1.045 39.766 40.800 0.018 0.000 0.921 375 D HN 0.271 nan 8.370 nan 0.000 0.513 376 T N -3.546 111.036 114.554 0.047 0.000 6.412 376 T HA -0.265 4.085 4.350 -0.000 0.000 0.279 376 T C 0.547 175.249 174.700 0.003 0.000 2.177 376 T CA 1.542 63.672 62.100 0.050 0.000 3.599 376 T CB -2.943 65.997 68.868 0.121 0.000 1.259 376 T HN 0.516 nan 8.240 nan 0.000 1.146 377 T N -0.937 113.627 114.554 0.018 0.000 2.770 377 T HA 0.647 4.996 4.350 -0.000 0.000 0.281 377 T C 0.870 175.579 174.700 0.014 0.000 0.981 377 T CA -0.263 61.853 62.100 0.026 0.000 0.955 377 T CB 1.226 70.117 68.868 0.038 0.000 1.060 377 T HN 0.610 nan 8.240 nan 0.000 0.531 378 c N 0.238 118.864 118.600 0.044 0.000 2.454 378 c HA 0.901 5.471 4.570 -0.000 0.000 0.336 378 c C 1.246 175.381 174.090 0.074 0.000 1.189 378 c CA -0.339 56.021 56.329 0.052 0.000 1.877 378 c CB 0.917 43.483 42.510 0.093 0.000 2.348 378 c HN 1.196 nan 8.230 nan 0.000 0.508 379 G N 0.310 109.157 108.800 0.078 0.000 3.075 379 G HA2 0.487 4.446 3.960 -0.000 0.000 0.253 379 G HA3 0.487 4.446 3.960 -0.000 0.000 0.253 379 G C -0.110 174.855 174.900 0.109 0.000 1.353 379 G CA -0.201 44.938 45.100 0.066 0.000 1.051 379 G HN 0.722 nan 8.290 nan 0.000 0.553 380 N N 0.130 118.849 118.700 0.031 0.000 2.741 380 N HA -0.147 4.592 4.740 -0.000 0.000 0.250 380 N C 0.059 175.420 175.510 -0.248 0.000 1.115 380 N CA 1.306 54.331 53.050 -0.042 0.000 0.724 380 N CB -0.582 37.948 38.487 0.071 0.000 1.090 380 N HN 0.671 nan 8.380 nan 0.000 0.558 381 D N -3.918 116.383 120.400 -0.165 0.000 3.077 381 D HA -0.227 4.413 4.640 -0.000 0.000 0.212 381 D C -0.515 175.630 176.300 -0.258 0.000 1.125 381 D CA 1.031 54.903 54.000 -0.212 0.000 0.970 381 D CB -1.437 39.211 40.800 -0.252 0.000 1.110 381 D HN 0.530 nan 8.370 nan 0.000 0.419 382 W N 0.436 121.702 121.300 -0.057 0.000 2.322 382 W HA 0.367 5.027 4.660 -0.000 0.000 0.307 382 W C 1.719 178.212 176.519 -0.045 0.000 1.220 382 W CA -0.941 56.382 57.345 -0.037 0.000 1.210 382 W CB 0.783 30.167 29.460 -0.127 0.000 1.223 382 W HN -0.276 nan 8.180 nan 0.000 0.511 383 V N 2.380 122.351 119.914 0.094 0.000 2.379 383 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 383 V C 1.269 177.400 176.094 0.062 0.000 1.044 383 V CA 0.620 62.870 62.300 -0.083 0.000 1.036 383 V CB -0.878 30.580 31.823 -0.608 0.000 0.664 383 V HN 0.873 nan 8.190 nan 0.000 0.453 384 c N 1.128 119.800 118.600 0.120 0.000 4.056 384 c HA -0.161 4.409 4.570 -0.000 0.000 0.302 384 c C 1.680 175.599 174.090 -0.285 0.000 1.356 384 c CA 0.518 56.875 56.329 0.046 0.000 2.074 384 c CB -2.537 39.976 42.510 0.004 0.000 1.328 384 c HN 0.682 nan 8.230 nan 0.000 0.684 385 E N 0.402 120.317 120.200 -0.474 0.000 2.160 385 E HA -0.195 4.154 4.350 -0.000 0.000 0.195 385 E C 1.950 178.270 176.600 -0.468 0.000 0.991 385 E CA 1.694 57.435 56.400 -1.098 0.000 0.810 385 E CB -0.156 29.093 29.700 -0.751 0.000 0.742 385 E HN 0.975 nan 8.360 nan 0.000 0.466 386 H N -0.223 118.738 119.070 -0.181 0.000 2.545 386 H HA 0.085 4.641 4.556 -0.000 0.000 0.282 386 H C 1.355 176.785 175.328 0.169 0.000 1.020 386 H CA 0.897 56.980 56.048 0.059 0.000 1.243 386 H CB -0.002 29.732 29.762 -0.048 0.000 1.377 386 H HN 0.083 nan 8.280 nan 0.000 0.581 387 R N -0.590 119.656 120.500 -0.423 0.000 2.312 387 R HA 0.050 4.390 4.340 -0.000 0.000 0.205 387 R C -0.200 176.240 176.300 0.233 0.000 0.904 387 R CA -0.429 55.534 56.100 -0.228 0.000 1.052 387 R CB 0.249 30.218 30.300 -0.552 0.000 1.014 387 R HN 0.109 nan 8.270 nan 0.000 0.503 388 W N 1.946 123.270 121.300 0.040 0.000 2.264 388 W HA 0.087 4.747 4.660 -0.001 0.000 0.331 388 W C 1.573 178.171 176.519 0.131 0.000 1.364 388 W CA -0.851 56.547 57.345 0.089 0.000 1.253 388 W CB -0.010 29.523 29.460 0.122 0.000 1.215 388 W HN 0.086 nan 8.180 nan 0.000 0.561 389 R N 1.777 122.457 120.500 0.300 0.000 2.113 389 R HA -0.298 4.042 4.340 -0.000 0.000 0.244 389 R C 1.653 178.077 176.300 0.207 0.000 1.142 389 R CA 2.401 58.629 56.100 0.214 0.000 0.953 389 R CB 0.036 30.408 30.300 0.120 0.000 0.860 389 R HN 0.493 nan 8.270 nan 0.000 0.438 390 Q N -0.096 119.835 119.800 0.219 0.000 2.226 390 Q HA -0.057 4.283 4.340 -0.000 0.000 0.204 390 Q C 1.914 178.072 176.000 0.263 0.000 0.975 390 Q CA 1.489 57.411 55.803 0.197 0.000 0.866 390 Q CB 0.046 28.920 28.738 0.227 0.000 0.915 390 Q HN 0.476 nan 8.270 nan 0.000 0.440 391 I N -0.511 120.250 120.570 0.319 0.000 2.556 391 I HA -0.094 4.076 4.170 -0.000 0.000 0.251 391 I C 2.447 178.698 176.117 0.224 0.000 1.105 391 I CA 0.312 61.764 61.300 0.254 0.000 1.436 391 I CB -0.204 37.941 38.000 0.242 0.000 1.139 391 I HN 0.134 nan 8.210 nan 0.000 0.438 392 R N 1.628 122.308 120.500 0.299 0.000 2.091 392 R HA -0.195 4.144 4.340 -0.000 0.000 0.238 392 R C 1.699 178.094 176.300 0.159 0.000 1.136 392 R CA 1.868 58.156 56.100 0.313 0.000 0.959 392 R CB -0.411 30.156 30.300 0.445 0.000 0.856 392 R HN 0.316 nan 8.270 nan 0.000 0.437 393 N N 0.056 118.858 118.700 0.169 0.000 2.309 393 N HA -0.089 4.651 4.740 -0.000 0.000 0.182 393 N C 1.526 177.131 175.510 0.157 0.000 1.018 393 N CA 0.976 54.118 53.050 0.153 0.000 0.876 393 N CB -0.077 38.500 38.487 0.150 0.000 0.972 393 N HN 0.219 nan 8.380 nan 0.000 0.434 394 M N -0.267 119.406 119.600 0.123 0.000 2.388 394 M HA 0.072 4.552 4.480 -0.000 0.000 0.265 394 M C 1.825 178.156 176.300 0.051 0.000 1.088 394 M CA 0.364 55.720 55.300 0.093 0.000 1.134 394 M CB -0.560 32.073 32.600 0.055 0.000 1.384 394 M HN -0.121 nan 8.290 nan 0.000 0.447 395 V N 0.494 120.383 119.914 -0.041 0.000 2.407 395 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 395 V C 2.293 178.274 176.094 -0.187 0.000 1.055 395 V CA 1.480 63.654 62.300 -0.209 0.000 1.049 395 V CB -0.450 31.052 31.823 -0.535 0.000 0.662 395 V HN 0.346 nan 8.190 nan 0.000 0.455 396 I N -1.159 119.341 120.570 -0.117 0.000 2.353 396 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 396 I C 2.256 178.278 176.117 -0.159 0.000 1.119 396 I CA 1.388 62.615 61.300 -0.121 0.000 1.417 396 I CB -0.361 37.609 38.000 -0.051 0.000 1.078 396 I HN 0.323 nan 8.210 nan 0.000 0.421 397 F N 1.978 121.783 119.950 -0.242 0.000 2.095 397 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 397 F C 2.702 178.377 175.800 -0.207 0.000 1.104 397 F CA 1.806 59.629 58.000 -0.296 0.000 1.232 397 F CB -0.352 38.616 39.000 -0.054 0.000 0.987 397 F HN -0.149 nan 8.300 nan 0.000 0.475 398 R N 0.225 120.850 120.500 0.208 0.000 2.105 398 R HA -0.192 4.147 4.340 -0.000 0.000 0.239 398 R C 2.025 178.291 176.300 -0.058 0.000 1.135 398 R CA 1.786 57.948 56.100 0.103 0.000 0.967 398 R CB -0.362 29.956 30.300 0.029 0.000 0.861 398 R HN 0.297 nan 8.270 nan 0.000 0.442 399 N N -0.055 118.576 118.700 -0.116 0.000 2.084 399 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 399 N C 1.744 177.161 175.510 -0.154 0.000 1.030 399 N CA 1.355 54.329 53.050 -0.126 0.000 0.849 399 N CB -0.394 38.013 38.487 -0.133 0.000 1.012 399 N HN 0.031 nan 8.380 nan 0.000 0.423 400 V N 0.974 120.736 119.914 -0.253 0.000 2.407 400 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 400 V C 2.027 177.975 176.094 -0.244 0.000 1.055 400 V CA 1.528 63.658 62.300 -0.283 0.000 1.049 400 V CB -0.492 31.029 31.823 -0.504 0.000 0.662 400 V HN 0.324 nan 8.190 nan 0.000 0.455 401 V N -2.238 117.504 119.914 -0.288 0.000 3.596 401 V HA 0.261 4.381 4.120 -0.000 0.000 0.289 401 V C 0.603 176.650 176.094 -0.078 0.000 1.336 401 V CA -0.283 61.897 62.300 -0.200 0.000 1.137 401 V CB -0.371 31.282 31.823 -0.283 0.000 0.966 401 V HN 0.439 nan 8.190 nan 0.000 0.428 402 D N 1.745 122.104 120.400 -0.069 0.000 2.586 402 D HA 0.343 4.983 4.640 -0.000 0.000 0.234 402 D C 1.508 177.800 176.300 -0.013 0.000 1.132 402 D CA 2.174 56.156 54.000 -0.029 0.000 0.860 402 D CB 0.382 41.161 40.800 -0.033 0.000 1.159 402 D HN 0.647 nan 8.370 nan 0.000 0.490 403 G N 3.217 112.020 108.800 0.005 0.000 2.268 403 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.240 403 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.240 403 G C 0.244 175.158 174.900 0.023 0.000 1.010 403 G CA 0.090 45.197 45.100 0.011 0.000 0.618 403 G HN 0.593 nan 8.290 nan 0.000 0.516 404 Q N 1.802 121.618 119.800 0.026 0.000 2.352 404 Q HA 0.374 4.714 4.340 -0.000 0.000 0.260 404 Q C -2.064 173.982 176.000 0.078 0.000 0.976 404 Q CA -1.106 54.724 55.803 0.045 0.000 0.881 404 Q CB 1.199 29.958 28.738 0.035 0.000 1.235 404 Q HN 0.427 nan 8.270 nan 0.000 0.419 405 P HA 0.095 nan 4.420 nan 0.000 0.277 405 P C -0.656 176.752 177.300 0.180 0.000 1.240 405 P CA -0.445 62.728 63.100 0.121 0.000 0.798 405 P CB 0.426 32.187 31.700 0.102 0.000 0.979 406 F N 2.155 122.117 119.950 0.020 0.000 2.502 406 F HA 0.364 4.891 4.527 -0.000 0.000 0.371 406 F C 0.422 176.286 175.800 0.107 0.000 1.083 406 F CA 1.144 59.154 58.000 0.018 0.000 1.174 406 F CB 0.205 39.106 39.000 -0.166 0.000 1.096 406 F HN 0.316 nan 8.300 nan 0.000 0.545 407 T N 4.178 118.610 114.554 -0.204 0.000 2.731 407 T HA 0.246 4.596 4.350 -0.000 0.000 0.300 407 T C -0.584 174.110 174.700 -0.010 0.000 1.283 407 T CA -0.708 61.345 62.100 -0.077 0.000 1.005 407 T CB 0.931 69.836 68.868 0.062 0.000 1.420 407 T HN 0.581 nan 8.240 nan 0.000 0.503 408 N N 1.059 119.826 118.700 0.111 0.000 2.727 408 N HA -0.134 4.606 4.740 -0.000 0.000 0.249 408 N C -0.559 175.114 175.510 0.273 0.000 1.048 408 N CA 0.721 53.898 53.050 0.211 0.000 0.714 408 N CB -0.798 37.846 38.487 0.262 0.000 0.959 408 N HN 0.591 nan 8.380 nan 0.000 0.544 409 W N 1.045 122.366 121.300 0.036 0.000 2.190 409 W HA 0.314 4.973 4.660 -0.001 0.000 0.330 409 W C -0.419 176.236 176.519 0.226 0.000 1.299 409 W CA -0.076 57.321 57.345 0.087 0.000 1.215 409 W CB 0.303 29.789 29.460 0.044 0.000 1.147 409 W HN 0.220 nan 8.180 nan 0.000 0.563 410 Y N 5.158 125.028 120.300 -0.717 0.000 2.504 410 Y HA 0.402 4.951 4.550 -0.000 0.000 0.344 410 Y C -1.610 173.852 175.900 -0.730 0.000 1.023 410 Y CA -0.879 56.950 58.100 -0.451 0.000 1.020 410 Y CB 1.445 39.819 38.460 -0.143 0.000 1.282 410 Y HN 0.523 nan 8.280 nan 0.000 0.454 411 D N 1.950 121.481 120.400 -1.448 0.000 2.655 411 D HA 0.193 4.832 4.640 -0.000 0.000 0.229 411 D C -1.167 174.614 176.300 -0.865 0.000 1.229 411 D CA -0.797 52.624 54.000 -0.966 0.000 0.807 411 D CB 0.986 41.692 40.800 -0.157 0.000 1.514 411 D HN 0.463 nan 8.370 nan 0.000 0.444 412 N N 1.077 119.558 118.700 -0.365 0.000 2.276 412 N HA 0.195 4.935 4.740 -0.000 0.000 0.212 412 N C 1.357 176.905 175.510 0.063 0.000 1.127 412 N CA 0.251 53.291 53.050 -0.018 0.000 0.834 412 N CB 0.300 38.939 38.487 0.254 0.000 1.014 412 N HN 1.047 nan 8.380 nan 0.000 0.491 413 G N -1.387 107.428 108.800 0.025 0.000 2.184 413 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.264 413 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.264 413 G C 0.381 175.324 174.900 0.072 0.000 0.975 413 G CA 0.736 45.886 45.100 0.083 0.000 0.642 413 G HN 0.640 nan 8.290 nan 0.000 0.536 414 S N -0.894 114.833 115.700 0.046 0.000 3.906 414 S HA 0.442 4.912 4.470 -0.000 0.000 0.188 414 S C 0.907 175.434 174.600 -0.121 0.000 1.054 414 S CA 0.701 58.903 58.200 0.004 0.000 1.503 414 S CB 0.181 63.473 63.200 0.153 0.000 1.144 414 S HN 0.298 nan 8.310 nan 0.000 0.833 415 N N 0.567 119.164 118.700 -0.171 0.000 2.291 415 N HA 0.347 5.087 4.740 -0.000 0.000 0.244 415 N C -1.269 174.095 175.510 -0.243 0.000 1.216 415 N CA -0.056 52.849 53.050 -0.241 0.000 0.879 415 N CB 1.120 39.435 38.487 -0.286 0.000 1.167 415 N HN 0.270 nan 8.380 nan 0.000 0.515 416 Q N 1.531 121.220 119.800 -0.185 0.000 2.394 416 Q HA 0.465 4.805 4.340 -0.000 0.000 0.259 416 Q C -0.842 175.031 176.000 -0.212 0.000 1.021 416 Q CA -0.696 54.983 55.803 -0.206 0.000 0.805 416 Q CB 2.046 30.753 28.738 -0.052 0.000 1.226 416 Q HN 0.122 nan 8.270 nan 0.000 0.476 417 V N -1.123 118.629 119.914 -0.270 0.000 3.141 417 V HA 1.062 5.181 4.120 -0.000 0.000 0.312 417 V C -1.257 174.642 176.094 -0.324 0.000 1.157 417 V CA -0.850 61.217 62.300 -0.389 0.000 1.041 417 V CB 2.003 33.527 31.823 -0.498 0.000 1.071 417 V HN 0.721 nan 8.190 nan 0.000 0.441 418 A N 1.604 124.137 122.820 -0.479 0.000 2.608 418 A HA 1.008 5.327 4.320 -0.000 0.000 0.292 418 A C -1.234 176.103 177.584 -0.412 0.000 1.066 418 A CA -0.139 51.599 52.037 -0.498 0.000 0.676 418 A CB 1.653 20.331 19.000 -0.537 0.000 1.277 418 A HN 2.457 nan 8.150 nan 0.000 0.413 419 F N -1.163 118.382 119.950 -0.675 0.000 2.741 419 F HA 0.842 5.369 4.527 -0.000 0.000 0.311 419 F C -0.074 175.451 175.800 -0.460 0.000 1.149 419 F CA -0.303 57.450 58.000 -0.413 0.000 0.930 419 F CB 0.757 39.643 39.000 -0.190 0.000 1.312 419 F HN 1.164 nan 8.300 nan 0.000 0.450 420 G N 0.486 109.390 108.800 0.172 0.000 2.685 420 G HA2 0.680 4.639 3.960 -0.000 0.000 0.298 420 G HA3 0.680 4.639 3.960 -0.000 0.000 0.298 420 G C -1.563 173.520 174.900 0.305 0.000 1.277 420 G CA -1.320 43.954 45.100 0.290 0.000 0.986 420 G HN 0.598 nan 8.290 nan 0.000 0.487 421 R N 0.460 121.111 120.500 0.251 0.000 2.363 421 R HA 0.475 4.814 4.340 -0.000 0.000 0.297 421 R C 0.884 177.250 176.300 0.110 0.000 1.208 421 R CA 0.066 56.284 56.100 0.197 0.000 1.121 421 R CB 0.336 30.747 30.300 0.186 0.000 1.124 421 R HN 1.269 nan 8.270 nan 0.000 0.561 422 G N 3.557 112.421 108.800 0.107 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 0.288 175.226 174.900 0.064 0.000 1.233 422 G CA 0.696 45.839 45.100 0.073 0.000 0.993 422 G HN 0.649 nan 8.290 nan 0.000 0.553 423 N N 0.545 119.269 118.700 0.041 0.000 2.338 423 N HA 0.231 4.971 4.740 -0.000 0.000 0.251 423 N C 1.292 176.819 175.510 0.028 0.000 1.199 423 N CA 0.032 53.102 53.050 0.033 0.000 0.879 423 N CB 0.537 39.043 38.487 0.031 0.000 1.159 423 N HN 0.562 nan 8.380 nan 0.000 0.514 424 R N -0.625 119.881 120.500 0.009 0.000 2.344 424 R HA 0.362 4.702 4.340 -0.000 0.000 0.209 424 R C 0.354 176.611 176.300 -0.072 0.000 0.886 424 R CA 0.450 56.538 56.100 -0.021 0.000 1.040 424 R CB 1.184 31.445 30.300 -0.065 0.000 1.114 424 R HN 0.279 nan 8.270 nan 0.000 0.547 425 G N 0.469 109.233 108.800 -0.060 0.000 2.673 425 G HA2 0.523 4.483 3.960 -0.000 0.000 0.292 425 G HA3 0.523 4.483 3.960 -0.000 0.000 0.292 425 G C -2.059 172.974 174.900 0.222 0.000 1.450 425 G CA -0.399 44.658 45.100 -0.072 0.000 0.837 425 G HN -0.009 nan 8.290 nan 0.000 0.505 426 F N 0.517 120.536 119.950 0.116 0.000 2.608 426 F HA 0.799 5.326 4.527 -0.000 0.000 0.309 426 F C -1.105 174.636 175.800 -0.099 0.000 1.103 426 F CA -1.019 56.969 58.000 -0.019 0.000 0.954 426 F CB 2.089 41.036 39.000 -0.088 0.000 1.267 426 F HN 0.510 nan 8.300 nan 0.000 0.444 427 I N 5.384 125.366 120.570 -0.980 0.000 2.686 427 I HA 0.738 4.907 4.170 -0.000 0.000 0.295 427 I C -1.799 173.614 176.117 -1.172 0.000 1.114 427 I CA -0.754 59.979 61.300 -0.945 0.000 1.038 427 I CB 1.985 39.406 38.000 -0.965 0.000 1.238 427 I HN 0.364 nan 8.210 nan 0.000 0.420 428 V N 6.875 126.204 119.914 -0.975 0.000 2.638 428 V HA 0.532 4.651 4.120 -0.000 0.000 0.306 428 V C -1.051 174.598 176.094 -0.743 0.000 1.052 428 V CA -0.518 61.282 62.300 -0.832 0.000 0.885 428 V CB 1.745 33.059 31.823 -0.847 0.000 0.999 428 V HN 0.466 nan 8.190 nan 0.000 0.424 429 F N 2.488 122.190 119.950 -0.413 0.000 2.532 429 F HA 0.588 5.115 4.527 -0.000 0.000 0.321 429 F C 0.164 175.733 175.800 -0.385 0.000 1.089 429 F CA -0.659 57.168 58.000 -0.288 0.000 0.926 429 F CB 1.998 40.840 39.000 -0.263 0.000 1.168 429 F HN 0.473 nan 8.300 nan 0.000 0.459 430 N N 1.881 120.528 118.700 -0.088 0.000 2.623 430 N HA 0.184 4.924 4.740 -0.000 0.000 0.256 430 N C -0.882 174.546 175.510 -0.137 0.000 1.045 430 N CA -0.244 52.702 53.050 -0.174 0.000 0.863 430 N CB 0.426 38.841 38.487 -0.120 0.000 1.182 430 N HN 0.540 nan 8.380 nan 0.000 0.523 431 N N 1.876 120.456 118.700 -0.201 0.000 2.275 431 N HA 0.170 4.910 4.740 -0.000 0.000 0.236 431 N C -1.042 174.295 175.510 -0.290 0.000 1.154 431 N CA -0.168 52.758 53.050 -0.206 0.000 0.866 431 N CB 0.294 38.650 38.487 -0.218 0.000 1.093 431 N HN 0.495 nan 8.380 nan 0.000 0.515 432 D N -0.657 119.479 120.400 -0.439 0.000 2.387 432 D HA 0.155 4.795 4.640 -0.000 0.000 0.255 432 D C -0.017 175.953 176.300 -0.549 0.000 1.081 432 D CA -0.229 53.327 54.000 -0.740 0.000 0.994 432 D CB 1.009 40.871 40.800 -1.564 0.000 1.127 432 D HN 0.056 nan 8.370 nan 0.000 0.513 433 D N 0.479 120.624 120.400 -0.425 0.000 2.323 433 D HA 0.101 4.741 4.640 -0.000 0.000 0.239 433 D C -0.069 176.364 176.300 0.222 0.000 1.129 433 D CA 0.083 54.083 54.000 -0.001 0.000 0.865 433 D CB -0.035 40.864 40.800 0.164 0.000 0.913 433 D HN 0.318 nan 8.370 nan 0.000 0.517 434 W N -1.100 120.238 121.300 0.063 0.000 3.029 434 W HA 0.569 5.229 4.660 -0.001 0.000 0.339 434 W C -0.272 176.307 176.519 0.101 0.000 1.198 434 W CA -1.055 56.333 57.345 0.072 0.000 1.148 434 W CB 0.122 29.623 29.460 0.068 0.000 1.451 434 W HN -0.441 nan 8.180 nan 0.000 0.564 435 S N 1.217 117.117 115.700 0.334 0.000 2.584 435 S HA 0.370 4.840 4.470 -0.000 0.000 0.270 435 S C -1.184 173.612 174.600 0.327 0.000 1.346 435 S CA -0.253 58.094 58.200 0.244 0.000 1.018 435 S CB 0.326 63.641 63.200 0.191 0.000 0.899 435 S HN 0.401 nan 8.310 nan 0.000 0.542 436 F N 1.635 121.647 119.950 0.103 0.000 2.493 436 F HA 0.570 5.096 4.527 -0.000 0.000 0.329 436 F C -0.149 175.695 175.800 0.073 0.000 1.126 436 F CA -0.316 57.742 58.000 0.097 0.000 0.937 436 F CB 1.455 40.477 39.000 0.036 0.000 1.146 436 F HN 0.421 nan 8.300 nan 0.000 0.442 437 S N 7.546 122.861 115.700 -0.642 0.000 2.673 437 S HA 0.745 5.214 4.470 -0.000 0.000 0.256 437 S C -2.005 172.184 174.600 -0.685 0.000 1.141 437 S CA -0.421 57.477 58.200 -0.503 0.000 1.109 437 S CB 0.503 63.664 63.200 -0.064 0.000 1.101 437 S HN 0.807 nan 8.310 nan 0.000 0.471 438 L N 3.304 123.938 121.223 -0.982 0.000 2.710 438 L HA 0.628 4.968 4.340 -0.000 0.000 0.260 438 L C -0.770 175.818 176.870 -0.469 0.000 0.993 438 L CA -0.049 54.425 54.840 -0.611 0.000 0.877 438 L CB 2.215 43.891 42.059 -0.639 0.000 1.461 438 L HN 0.505 nan 8.230 nan 0.000 0.413 439 T N 3.849 118.338 114.554 -0.108 0.000 2.744 439 T HA 0.699 5.049 4.350 -0.000 0.000 0.291 439 T C -0.492 174.216 174.700 0.013 0.000 0.957 439 T CA -0.102 62.022 62.100 0.040 0.000 1.002 439 T CB 0.167 69.118 68.868 0.138 0.000 0.919 439 T HN 0.371 nan 8.240 nan 0.000 0.468 440 L N 2.477 123.758 121.223 0.095 0.000 2.323 440 L HA 0.577 4.916 4.340 -0.000 0.000 0.265 440 L C -0.019 176.830 176.870 -0.034 0.000 1.012 440 L CA -1.394 53.465 54.840 0.033 0.000 0.820 440 L CB 1.732 43.838 42.059 0.078 0.000 1.334 440 L HN 0.369 nan 8.230 nan 0.000 0.427 441 Q N 0.580 120.341 119.800 -0.065 0.000 2.296 441 Q HA 0.136 4.476 4.340 -0.000 0.000 0.263 441 Q C 0.603 176.360 176.000 -0.405 0.000 1.026 441 Q CA 0.252 55.974 55.803 -0.136 0.000 0.912 441 Q CB 1.229 29.950 28.738 -0.028 0.000 1.198 441 Q HN 0.716 nan 8.270 nan 0.000 0.407 442 T N 0.351 114.547 114.554 -0.596 0.000 3.037 442 T HA 0.240 4.589 4.350 -0.000 0.000 0.252 442 T C 1.308 175.757 174.700 -0.418 0.000 1.073 442 T CA 0.432 61.870 62.100 -1.104 0.000 1.091 442 T CB -0.117 68.201 68.868 -0.916 0.000 0.935 442 T HN 1.023 nan 8.240 nan 0.000 0.488 443 G N 1.402 110.077 108.800 -0.209 0.000 2.168 443 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.263 443 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.263 443 G C -0.062 174.803 174.900 -0.057 0.000 0.977 443 G CA 0.509 45.566 45.100 -0.073 0.000 0.659 443 G HN 0.656 nan 8.290 nan 0.000 0.533 444 L N 1.326 122.481 121.223 -0.113 0.000 2.360 444 L HA 0.524 4.864 4.340 -0.000 0.000 0.271 444 L C -1.446 175.431 176.870 0.011 0.000 1.057 444 L CA -2.432 52.367 54.840 -0.068 0.000 0.803 444 L CB 1.154 43.071 42.059 -0.236 0.000 1.207 444 L HN -0.087 nan 8.230 nan 0.000 0.445 445 P HA 0.090 nan 4.420 nan 0.000 0.272 445 P C -0.666 176.735 177.300 0.168 0.000 1.223 445 P CA -0.402 62.763 63.100 0.109 0.000 0.784 445 P CB 0.671 32.434 31.700 0.104 0.000 0.923 446 A N 1.644 124.526 122.820 0.103 0.000 2.507 446 A HA 0.495 4.815 4.320 -0.000 0.000 0.235 446 A C 0.869 178.525 177.584 0.120 0.000 1.070 446 A CA 1.130 53.232 52.037 0.108 0.000 0.768 446 A CB -1.018 18.015 19.000 0.055 0.000 1.011 446 A HN 0.918 nan 8.150 nan 0.000 0.502 447 G N -0.525 108.356 108.800 0.134 0.000 2.369 447 G HA2 0.428 4.388 3.960 -0.000 0.000 0.293 447 G HA3 0.428 4.388 3.960 -0.000 0.000 0.293 447 G C -0.728 174.195 174.900 0.039 0.000 1.301 447 G CA -0.200 44.911 45.100 0.018 0.000 0.913 447 G HN 1.054 nan 8.290 nan 0.000 0.540 448 T N 1.098 115.572 114.554 -0.133 0.000 2.758 448 T HA 0.632 4.982 4.350 -0.000 0.000 0.285 448 T C -1.167 173.350 174.700 -0.306 0.000 0.981 448 T CA 0.114 62.111 62.100 -0.171 0.000 0.965 448 T CB 0.640 69.433 68.868 -0.126 0.000 0.927 448 T HN 0.391 nan 8.240 nan 0.000 0.448 449 Y N 0.710 120.864 120.300 -0.243 0.000 2.409 449 Y HA 0.434 4.984 4.550 -0.000 0.000 0.339 449 Y C 0.459 176.234 175.900 -0.209 0.000 1.033 449 Y CA -1.200 56.788 58.100 -0.188 0.000 1.094 449 Y CB 1.012 39.392 38.460 -0.135 0.000 1.210 449 Y HN 0.575 nan 8.280 nan 0.000 0.456 450 c N 2.202 120.781 118.600 -0.035 0.000 2.435 450 c HA 0.184 4.754 4.570 -0.000 0.000 0.375 450 c C 0.296 174.356 174.090 -0.049 0.000 1.281 450 c CA -0.806 55.481 56.329 -0.069 0.000 1.963 450 c CB -0.347 42.115 42.510 -0.080 0.000 2.490 450 c HN 0.770 nan 8.230 nan 0.000 0.557 451 D N 1.714 122.082 120.400 -0.053 0.000 2.358 451 D HA 0.146 4.786 4.640 -0.000 0.000 0.258 451 D C 0.980 177.240 176.300 -0.066 0.000 1.223 451 D CA -0.262 53.707 54.000 -0.052 0.000 0.886 451 D CB 0.953 41.715 40.800 -0.064 0.000 1.120 451 D HN 0.453 nan 8.370 nan 0.000 0.482 452 V N 2.578 122.462 119.914 -0.049 0.000 3.573 452 V HA 0.034 4.153 4.120 -0.000 0.000 0.270 452 V C 1.359 177.418 176.094 -0.059 0.000 1.221 452 V CA 0.240 62.530 62.300 -0.016 0.000 1.163 452 V CB -0.657 31.216 31.823 0.085 0.000 0.847 452 V HN 0.501 nan 8.190 nan 0.000 0.468 453 I N 2.046 122.511 120.570 -0.175 0.000 2.512 453 I HA 0.006 4.176 4.170 -0.000 0.000 0.247 453 I C 2.691 178.684 176.117 -0.207 0.000 1.094 453 I CA 1.898 63.017 61.300 -0.302 0.000 1.427 453 I CB -1.038 36.522 38.000 -0.733 0.000 1.149 453 I HN 0.578 nan 8.210 nan 0.000 0.438 454 S N -0.223 115.371 115.700 -0.178 0.000 2.527 454 S HA 0.297 4.767 4.470 -0.000 0.000 0.222 454 S C 1.015 175.575 174.600 -0.066 0.000 0.985 454 S CA 0.407 58.539 58.200 -0.113 0.000 0.921 454 S CB -0.000 63.141 63.200 -0.098 0.000 0.772 454 S HN 0.442 nan 8.310 nan 0.000 0.529 455 G N -0.324 108.442 108.800 -0.058 0.000 2.664 455 G HA2 0.537 4.497 3.960 -0.000 0.000 0.303 455 G HA3 0.537 4.497 3.960 -0.000 0.000 0.303 455 G C -2.266 172.625 174.900 -0.015 0.000 1.243 455 G CA -0.613 44.469 45.100 -0.030 0.000 0.826 455 G HN 0.205 nan 8.290 nan 0.000 0.498 456 D N -0.460 119.934 120.400 -0.010 0.000 2.570 456 D HA 0.318 4.958 4.640 -0.000 0.000 0.244 456 D C -1.041 175.250 176.300 -0.015 0.000 1.178 456 D CA -0.573 53.427 54.000 0.000 0.000 0.881 456 D CB 2.758 43.569 40.800 0.019 0.000 1.453 456 D HN 0.309 nan 8.370 nan 0.000 0.447 457 K N 1.897 122.287 120.400 -0.016 0.000 2.264 457 K HA 0.438 4.757 4.320 -0.000 0.000 0.277 457 K C -1.117 175.473 176.600 -0.016 0.000 1.067 457 K CA -0.278 55.992 56.287 -0.030 0.000 0.900 457 K CB 0.157 32.630 32.500 -0.046 0.000 1.124 457 K HN 0.410 nan 8.250 nan 0.000 0.469 458 I N 4.381 124.940 120.570 -0.017 0.000 2.468 458 I HA 0.134 4.303 4.170 -0.000 0.000 0.285 458 I C -0.592 175.517 176.117 -0.014 0.000 1.039 458 I CA -0.902 60.392 61.300 -0.009 0.000 1.074 458 I CB 1.600 39.599 38.000 -0.002 0.000 1.228 458 I HN 0.682 nan 8.210 nan 0.000 0.436 459 N N 4.993 123.685 118.700 -0.013 0.000 2.614 459 N HA -0.177 4.563 4.740 -0.000 0.000 0.276 459 N C 0.877 176.374 175.510 -0.021 0.000 1.119 459 N CA 1.188 54.229 53.050 -0.015 0.000 0.742 459 N CB -0.892 37.589 38.487 -0.010 0.000 0.900 459 N HN 1.186 nan 8.380 nan 0.000 0.549 460 G N -0.278 108.504 108.800 -0.029 0.000 2.321 460 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.287 460 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.287 460 G C -0.055 174.823 174.900 -0.037 0.000 1.018 460 G CA 0.756 45.834 45.100 -0.037 0.000 0.855 460 G HN 0.742 nan 8.290 nan 0.000 0.507 461 N N -1.757 116.922 118.700 -0.036 0.000 2.591 461 N HA 0.452 5.191 4.740 -0.000 0.000 0.263 461 N C -0.731 174.757 175.510 -0.038 0.000 1.308 461 N CA -0.106 52.924 53.050 -0.033 0.000 0.837 461 N CB 1.677 40.152 38.487 -0.020 0.000 1.548 461 N HN 0.123 nan 8.380 nan 0.000 0.493 462 c N 0.455 119.031 118.600 -0.040 0.000 2.355 462 c HA 0.431 5.001 4.570 -0.000 0.000 0.332 462 c C 2.014 176.087 174.090 -0.029 0.000 1.255 462 c CA -0.545 55.758 56.329 -0.043 0.000 1.792 462 c CB 0.591 43.063 42.510 -0.064 0.000 2.300 462 c HN 0.847 nan 8.230 nan 0.000 0.515 463 T N -0.602 113.938 114.554 -0.024 0.000 3.081 463 T HA 0.268 4.618 4.350 -0.000 0.000 0.255 463 T C 0.877 175.565 174.700 -0.020 0.000 1.113 463 T CA 0.807 62.897 62.100 -0.016 0.000 1.082 463 T CB 0.122 68.984 68.868 -0.010 0.000 0.939 463 T HN 0.863 nan 8.240 nan 0.000 0.506 464 G N 0.814 109.597 108.800 -0.029 0.000 3.264 464 G HA2 0.652 4.612 3.960 -0.000 0.000 0.168 464 G HA3 0.652 4.612 3.960 -0.000 0.000 0.168 464 G C -0.661 174.217 174.900 -0.036 0.000 1.145 464 G CA -1.234 43.846 45.100 -0.033 0.000 0.855 464 G HN 0.400 nan 8.290 nan 0.000 0.629 465 I N 1.008 121.553 120.570 -0.042 0.000 2.692 465 I HA 0.161 4.331 4.170 -0.000 0.000 0.284 465 I C 0.076 176.147 176.117 -0.077 0.000 1.159 465 I CA 0.558 61.833 61.300 -0.042 0.000 1.423 465 I CB 0.808 38.789 38.000 -0.032 0.000 1.380 465 I HN 0.157 nan 8.210 nan 0.000 0.580 466 K N 6.298 126.631 120.400 -0.111 0.000 2.270 466 K HA 0.600 4.919 4.320 -0.000 0.000 0.255 466 K C -1.155 175.206 176.600 -0.399 0.000 0.936 466 K CA -0.744 55.387 56.287 -0.260 0.000 0.809 466 K CB 2.131 34.446 32.500 -0.309 0.000 1.131 466 K HN 0.316 nan 8.250 nan 0.000 0.427 467 I N 3.266 123.571 120.570 -0.442 0.000 2.433 467 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 467 I C -0.810 175.008 176.117 -0.499 0.000 1.001 467 I CA -0.874 60.171 61.300 -0.426 0.000 1.119 467 I CB 1.088 38.913 38.000 -0.292 0.000 1.289 467 I HN 0.542 nan 8.210 nan 0.000 0.438 468 Y N 4.769 125.010 120.300 -0.098 0.000 2.369 468 Y HA 0.440 4.990 4.550 -0.000 0.000 0.337 468 Y C 0.253 176.117 175.900 -0.061 0.000 0.961 468 Y CA -0.907 57.170 58.100 -0.039 0.000 1.186 468 Y CB 1.494 39.923 38.460 -0.051 0.000 1.139 468 Y HN 0.176 nan 8.280 nan 0.000 0.494 469 V N 4.073 124.059 119.914 0.121 0.000 2.407 469 V HA 0.283 4.403 4.120 -0.000 0.000 0.278 469 V C 0.360 176.494 176.094 0.067 0.000 1.037 469 V CA -0.700 61.630 62.300 0.049 0.000 0.900 469 V CB 1.061 32.917 31.823 0.054 0.000 0.983 469 V HN 0.922 nan 8.190 nan 0.000 0.459 470 S N 2.781 118.495 115.700 0.024 0.000 2.640 470 S HA 0.162 4.632 4.470 -0.000 0.000 0.262 470 S C 0.811 175.421 174.600 0.016 0.000 1.232 470 S CA -0.329 57.882 58.200 0.019 0.000 0.988 470 S CB 0.655 63.856 63.200 0.002 0.000 1.034 470 S HN 0.653 nan 8.310 nan 0.000 0.569 471 D N 0.838 121.245 120.400 0.011 0.000 2.218 471 D HA -0.056 4.584 4.640 -0.000 0.000 0.204 471 D C 1.104 177.407 176.300 0.005 0.000 0.976 471 D CA 1.260 55.266 54.000 0.010 0.000 0.853 471 D CB -0.322 40.482 40.800 0.006 0.000 0.939 471 D HN 0.765 nan 8.370 nan 0.000 0.481 472 D N -1.194 119.205 120.400 -0.001 0.000 2.328 472 D HA 0.106 4.746 4.640 -0.000 0.000 0.221 472 D C 1.374 177.664 176.300 -0.017 0.000 1.072 472 D CA 0.566 54.564 54.000 -0.004 0.000 0.850 472 D CB 0.410 41.209 40.800 -0.003 0.000 0.922 472 D HN 0.200 nan 8.370 nan 0.000 0.516 473 G N 1.296 110.082 108.800 -0.024 0.000 2.184 473 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 473 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 473 G C 0.263 175.104 174.900 -0.098 0.000 0.975 473 G CA 0.116 45.182 45.100 -0.058 0.000 0.642 473 G HN 0.370 nan 8.290 nan 0.000 0.536 474 K N 0.499 120.862 120.400 -0.062 0.000 2.154 474 K HA 0.703 5.022 4.320 -0.000 0.000 0.264 474 K C 0.167 176.729 176.600 -0.064 0.000 1.008 474 K CA 0.334 56.584 56.287 -0.061 0.000 0.937 474 K CB 1.548 34.035 32.500 -0.022 0.000 1.002 474 K HN 0.803 nan 8.250 nan 0.000 0.469 475 A N 1.720 124.501 122.820 -0.066 0.000 2.547 475 A HA 0.280 4.600 4.320 -0.000 0.000 0.297 475 A C -1.827 175.644 177.584 -0.188 0.000 1.056 475 A CA -0.725 51.217 52.037 -0.159 0.000 0.688 475 A CB 0.941 19.743 19.000 -0.329 0.000 1.282 475 A HN 0.833 nan 8.150 nan 0.000 0.400 476 H N 0.376 119.270 119.070 -0.293 0.000 2.548 476 H HA 0.674 5.230 4.556 -0.000 0.000 0.331 476 H C -1.444 173.649 175.328 -0.393 0.000 1.093 476 H CA 0.299 56.225 56.048 -0.203 0.000 1.367 476 H CB 0.383 30.079 29.762 -0.111 0.000 1.455 476 H HN 0.427 nan 8.280 nan 0.000 0.519 477 F N 2.183 121.918 119.950 -0.359 0.000 2.520 477 F HA 0.356 4.883 4.527 -0.000 0.000 0.322 477 F C -0.078 175.633 175.800 -0.148 0.000 1.103 477 F CA -0.668 57.277 58.000 -0.091 0.000 0.926 477 F CB 2.106 41.187 39.000 0.135 0.000 1.154 477 F HN 0.395 nan 8.300 nan 0.000 0.453 478 S N 4.572 120.388 115.700 0.193 0.000 2.756 478 S HA 0.764 5.233 4.470 -0.000 0.000 0.303 478 S C -1.086 173.639 174.600 0.208 0.000 1.135 478 S CA -0.368 57.931 58.200 0.165 0.000 1.066 478 S CB 0.211 63.498 63.200 0.145 0.000 1.008 478 S HN 0.517 nan 8.310 nan 0.000 0.482 479 I N 3.560 124.288 120.570 0.263 0.000 2.468 479 I HA 0.317 4.486 4.170 -0.000 0.000 0.284 479 I C 0.135 176.348 176.117 0.161 0.000 1.038 479 I CA -0.555 60.856 61.300 0.186 0.000 1.083 479 I CB 2.035 40.129 38.000 0.156 0.000 1.223 479 I HN 0.541 nan 8.210 nan 0.000 0.443 480 S N 4.365 120.131 115.700 0.109 0.000 2.580 480 S HA 0.122 4.592 4.470 -0.000 0.000 0.274 480 S C 1.332 175.975 174.600 0.072 0.000 1.329 480 S CA -0.620 57.638 58.200 0.097 0.000 1.036 480 S CB 0.607 63.853 63.200 0.077 0.000 0.919 480 S HN 0.748 nan 8.310 nan 0.000 0.515 481 N N 3.024 121.763 118.700 0.066 0.000 2.571 481 N HA -0.033 4.707 4.740 -0.000 0.000 0.189 481 N C 0.643 176.176 175.510 0.037 0.000 1.154 481 N CA 0.354 53.422 53.050 0.031 0.000 0.907 481 N CB -0.153 38.344 38.487 0.016 0.000 0.977 481 N HN 0.359 nan 8.380 nan 0.000 0.449 482 S N -0.451 115.277 115.700 0.047 0.000 2.540 482 S HA 0.355 4.825 4.470 -0.000 0.000 0.218 482 S C 0.749 175.371 174.600 0.036 0.000 0.977 482 S CA -0.441 57.784 58.200 0.042 0.000 0.918 482 S CB 0.209 63.436 63.200 0.044 0.000 0.806 482 S HN 0.616 nan 8.310 nan 0.000 0.496 483 A N 1.462 124.305 122.820 0.038 0.000 2.483 483 A HA 0.248 4.568 4.320 -0.000 0.000 0.238 483 A C 1.375 178.975 177.584 0.026 0.000 1.070 483 A CA -0.129 51.924 52.037 0.028 0.000 0.770 483 A CB 0.130 19.147 19.000 0.027 0.000 1.008 483 A HN 0.259 nan 8.150 nan 0.000 0.497 484 E N 0.947 121.154 120.200 0.011 0.000 2.070 484 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 484 E C -0.278 176.341 176.600 0.031 0.000 1.004 484 E CA 2.082 58.488 56.400 0.009 0.000 0.805 484 E CB 0.081 29.773 29.700 -0.014 0.000 0.744 484 E HN 0.662 nan 8.360 nan 0.000 0.451 485 D N 0.168 120.578 120.400 0.017 0.000 2.469 485 D HA 0.134 4.773 4.640 -0.000 0.000 0.251 485 D C -2.290 174.048 176.300 0.063 0.000 1.173 485 D CA -1.441 52.594 54.000 0.059 0.000 0.882 485 D CB 1.679 42.425 40.800 -0.090 0.000 1.129 485 D HN 0.134 nan 8.370 nan 0.000 0.549 486 P HA 0.080 nan 4.420 nan 0.000 0.261 486 P C -0.745 176.669 177.300 0.191 0.000 1.650 486 P CA -0.106 63.072 63.100 0.129 0.000 0.846 486 P CB -0.851 30.902 31.700 0.089 0.000 1.758 487 F N -1.500 118.364 119.950 -0.143 0.000 2.641 487 F HA 0.657 5.184 4.527 -0.000 0.000 0.308 487 F C -1.631 173.986 175.800 -0.306 0.000 1.105 487 F CA -2.067 55.730 58.000 -0.338 0.000 0.964 487 F CB 0.832 39.498 39.000 -0.558 0.000 1.294 487 F HN -0.319 nan 8.300 nan 0.000 0.442 488 I N 2.545 122.902 120.570 -0.356 0.000 2.509 488 I HA 0.814 4.984 4.170 -0.000 0.000 0.293 488 I C -0.762 175.177 176.117 -0.298 0.000 1.020 488 I CA -1.163 59.962 61.300 -0.292 0.000 1.088 488 I CB 2.095 40.076 38.000 -0.031 0.000 1.267 488 I HN 1.014 nan 8.210 nan 0.000 0.430 489 A N 7.460 130.156 122.820 -0.206 0.000 2.398 489 A HA 0.891 5.211 4.320 -0.000 0.000 0.301 489 A C -0.913 176.728 177.584 0.095 0.000 1.041 489 A CA -0.471 51.509 52.037 -0.096 0.000 0.711 489 A CB 1.296 20.177 19.000 -0.198 0.000 1.240 489 A HN 0.713 nan 8.150 nan 0.000 0.420 490 I N 0.110 120.808 120.570 0.213 0.000 2.730 490 I HA 0.938 5.108 4.170 -0.000 0.000 0.298 490 I C -0.663 175.566 176.117 0.187 0.000 1.089 490 I CA -0.925 60.454 61.300 0.131 0.000 1.041 490 I CB 2.385 40.410 38.000 0.043 0.000 1.235 490 I HN 0.945 nan 8.210 nan 0.000 0.423 491 H N 2.791 121.951 119.070 0.150 0.000 2.966 491 H HA 0.747 5.303 4.556 -0.000 0.000 0.330 491 H C 0.417 175.845 175.328 0.167 0.000 1.292 491 H CA -0.379 55.675 56.048 0.010 0.000 1.127 491 H CB 1.179 30.786 29.762 -0.257 0.000 1.863 491 H HN 0.643 nan 8.280 nan 0.000 0.543 492 A N 0.079 123.078 122.820 0.299 0.000 1.948 492 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 492 A C 1.547 179.241 177.584 0.184 0.000 1.177 492 A CA 1.950 54.129 52.037 0.238 0.000 0.636 492 A CB -0.671 18.404 19.000 0.124 0.000 0.815 492 A HN 0.698 nan 8.150 nan 0.000 0.449 493 E N -0.170 120.245 120.200 0.359 0.000 2.489 493 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 493 E C 1.593 178.217 176.600 0.041 0.000 1.057 493 E CA 0.853 57.382 56.400 0.216 0.000 0.866 493 E CB -0.039 29.824 29.700 0.272 0.000 0.916 493 E HN 0.728 nan 8.360 nan 0.000 0.500 494 S N -0.633 114.943 115.700 -0.207 0.000 2.539 494 S HA 0.138 4.608 4.470 -0.000 0.000 0.221 494 S C 0.774 175.270 174.600 -0.173 0.000 0.987 494 S CA -0.442 57.599 58.200 -0.264 0.000 0.929 494 S CB 0.330 63.227 63.200 -0.505 0.000 0.832 494 S HN -0.046 nan 8.310 nan 0.000 0.492 495 K N 1.214 121.477 120.400 -0.228 0.000 2.270 495 K HA 0.321 4.640 4.320 -0.000 0.000 0.276 495 K C -0.353 176.048 176.600 -0.331 0.000 1.023 495 K CA -0.663 55.295 56.287 -0.548 0.000 0.955 495 K CB 0.378 32.424 32.500 -0.758 0.000 0.975 495 K HN 0.132 nan 8.250 nan 0.000 0.471 496 L N 0.000 121.027 121.223 -0.327 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.725 54.840 -0.192 0.000 0.813 496 L CB 0.000 41.967 42.059 -0.153 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502