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 3bak_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDSHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.981 175.900 0.134 0.000 1.272 2 Y CA 0.000 58.198 58.100 0.163 0.000 1.940 2 Y CB 0.000 38.486 38.460 0.043 0.000 1.050 3 S N 3.946 119.729 115.700 0.139 0.000 2.513 3 S HA 0.225 4.694 4.470 -0.000 0.000 0.276 3 S C -1.874 172.463 174.600 -0.439 0.000 1.254 3 S CA -0.832 57.289 58.200 -0.131 0.000 1.053 3 S CB 1.411 64.577 63.200 -0.056 0.000 0.958 3 S HN -0.023 nan 8.310 nan 0.000 0.491 4 P HA -0.034 nan 4.420 nan 0.000 0.220 4 P C 0.111 177.168 177.300 -0.405 0.000 1.148 4 P CA 0.625 62.843 63.100 -1.471 0.000 0.803 4 P CB 0.005 30.736 31.700 -1.614 0.000 0.782 5 N N -2.773 115.810 118.700 -0.196 0.000 2.829 5 N HA -0.104 4.636 4.740 -0.000 0.000 0.250 5 N C -0.151 175.430 175.510 0.118 0.000 1.090 5 N CA 1.454 54.529 53.050 0.042 0.000 0.781 5 N CB -2.361 36.188 38.487 0.103 0.000 1.124 5 N HN 0.319 nan 8.380 nan 0.000 0.559 6 T N -1.519 113.058 114.554 0.037 0.000 2.868 6 T HA 0.309 4.659 4.350 -0.000 0.000 0.292 6 T C 0.736 175.458 174.700 0.036 0.000 1.028 6 T CA -0.655 61.490 62.100 0.075 0.000 1.059 6 T CB 1.820 70.750 68.868 0.103 0.000 0.991 6 T HN 0.299 nan 8.240 nan 0.000 0.531 7 Q N 1.058 120.866 119.800 0.014 0.000 2.354 7 Q HA 0.136 4.476 4.340 -0.000 0.000 0.244 7 Q C -0.482 175.518 176.000 -0.000 0.000 0.969 7 Q CA -0.986 54.813 55.803 -0.006 0.000 0.885 7 Q CB 0.516 29.234 28.738 -0.033 0.000 1.241 7 Q HN 0.514 nan 8.270 nan 0.000 0.461 8 Q N 0.961 120.758 119.800 -0.004 0.000 2.618 8 Q HA -0.042 4.298 4.340 -0.000 0.000 0.344 8 Q C 0.827 176.822 176.000 -0.009 0.000 1.073 8 Q CA 1.840 57.640 55.803 -0.005 0.000 1.105 8 Q CB -0.030 28.704 28.738 -0.007 0.000 1.028 8 Q HN 1.087 nan 8.270 nan 0.000 0.397 9 G N 3.193 111.987 108.800 -0.010 0.000 2.175 9 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 9 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 9 G C 0.023 174.906 174.900 -0.028 0.000 0.982 9 G CA -0.046 45.041 45.100 -0.022 0.000 0.641 9 G HN 0.491 nan 8.290 nan 0.000 0.527 10 R N 0.502 120.996 120.500 -0.009 0.000 2.343 10 R HA 0.553 4.893 4.340 -0.000 0.000 0.320 10 R C 0.920 177.229 176.300 0.015 0.000 0.956 10 R CA 0.181 56.273 56.100 -0.013 0.000 0.836 10 R CB 1.156 31.466 30.300 0.016 0.000 1.151 10 R HN 0.296 nan 8.270 nan 0.000 0.450 11 T N -2.532 111.993 114.554 -0.047 0.000 3.129 11 T HA 0.246 4.596 4.350 -0.000 0.000 0.267 11 T C 0.324 174.823 174.700 -0.335 0.000 1.018 11 T CA -0.241 61.821 62.100 -0.063 0.000 0.903 11 T CB 0.377 69.197 68.868 -0.080 0.000 1.067 11 T HN 0.275 nan 8.240 nan 0.000 0.549 12 S N 1.240 116.759 115.700 -0.302 0.000 2.588 12 S HA 0.771 5.241 4.470 -0.000 0.000 0.275 12 S C -0.832 173.680 174.600 -0.147 0.000 1.130 12 S CA -1.109 56.818 58.200 -0.456 0.000 0.855 12 S CB 1.779 64.778 63.200 -0.336 0.000 1.116 12 S HN 0.581 nan 8.310 nan 0.000 0.472 13 I N -1.000 119.490 120.570 -0.133 0.000 2.740 13 I HA 0.913 5.083 4.170 -0.000 0.000 0.303 13 I C -0.920 175.250 176.117 0.089 0.000 1.044 13 I CA -1.090 60.266 61.300 0.093 0.000 1.064 13 I CB 1.749 39.824 38.000 0.125 0.000 1.249 13 I HN 0.435 nan 8.210 nan 0.000 0.433 14 V N 3.645 123.630 119.914 0.118 0.000 2.555 14 V HA 0.414 4.534 4.120 -0.000 0.000 0.302 14 V C -1.036 175.069 176.094 0.018 0.000 1.038 14 V CA -0.344 61.978 62.300 0.036 0.000 0.887 14 V CB 1.584 33.335 31.823 -0.120 0.000 0.991 14 V HN 0.873 nan 8.190 nan 0.000 0.434 15 H N 6.780 125.796 119.070 -0.089 0.000 2.820 15 H HA 0.408 4.964 4.556 -0.000 0.000 0.278 15 H C -0.408 174.835 175.328 -0.142 0.000 1.142 15 H CA -0.554 55.460 56.048 -0.056 0.000 1.346 15 H CB 0.391 30.148 29.762 -0.009 0.000 1.438 15 H HN 0.618 nan 8.280 nan 0.000 0.473 16 L N 6.855 127.941 121.223 -0.229 0.000 2.399 16 L HA 0.087 4.426 4.340 -0.000 0.000 0.257 16 L C 0.091 176.806 176.870 -0.258 0.000 1.236 16 L CA -0.608 53.810 54.840 -0.702 0.000 1.144 16 L CB -0.702 40.639 42.059 -1.197 0.000 1.379 16 L HN 0.465 nan 8.230 nan 0.000 0.414 17 F N 4.551 124.226 119.950 -0.458 0.000 2.539 17 F HA -0.046 4.481 4.527 -0.000 0.000 0.393 17 F C 1.363 177.381 175.800 0.363 0.000 1.032 17 F CA 0.195 58.037 58.000 -0.264 0.000 1.120 17 F CB -0.235 38.527 39.000 -0.396 0.000 1.014 17 F HN 0.532 nan 8.300 nan 0.000 0.546 18 E N 2.414 122.679 120.200 0.110 0.000 3.496 18 E HA -0.302 4.048 4.350 -0.000 0.000 0.300 18 E C -0.507 176.231 176.600 0.230 0.000 0.877 18 E CA 0.846 57.278 56.400 0.054 0.000 1.050 18 E CB -1.681 27.911 29.700 -0.180 0.000 1.532 18 E HN 0.608 nan 8.360 nan 0.000 0.447 19 W N 1.525 122.775 121.300 -0.084 0.000 2.150 19 W HA 0.205 4.865 4.660 -0.000 0.000 0.341 19 W C 1.520 177.885 176.519 -0.258 0.000 1.276 19 W CA -0.008 57.178 57.345 -0.265 0.000 1.238 19 W CB 0.272 29.575 29.460 -0.262 0.000 1.128 19 W HN -0.090 nan 8.180 nan 0.000 0.581 20 R N 1.427 121.861 120.500 -0.110 0.000 2.531 20 R HA 0.125 4.465 4.340 -0.000 0.000 0.273 20 R C 1.031 177.356 176.300 0.042 0.000 1.070 20 R CA -0.409 55.553 56.100 -0.230 0.000 1.112 20 R CB 0.576 30.765 30.300 -0.186 0.000 1.049 20 R HN 0.682 nan 8.270 nan 0.000 0.508 21 W N 0.425 121.785 121.300 0.098 0.000 2.338 21 W HA -0.215 4.445 4.660 -0.000 0.000 0.304 21 W C 1.972 178.517 176.519 0.043 0.000 1.212 21 W CA 0.151 57.548 57.345 0.087 0.000 1.264 21 W CB -0.316 29.216 29.460 0.119 0.000 1.142 21 W HN 0.422 nan 8.180 nan 0.000 0.512 22 V N 1.189 121.246 119.914 0.239 0.000 2.332 22 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 22 V C 1.776 177.927 176.094 0.094 0.000 1.055 22 V CA 2.394 64.772 62.300 0.131 0.000 1.038 22 V CB -0.545 31.322 31.823 0.073 0.000 0.651 22 V HN 0.085 nan 8.190 nan 0.000 0.450 23 D N -0.246 120.196 120.400 0.071 0.000 2.144 23 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 23 D C 2.061 178.499 176.300 0.230 0.000 0.978 23 D CA 1.673 55.704 54.000 0.051 0.000 0.833 23 D CB -0.064 40.633 40.800 -0.172 0.000 0.961 23 D HN 0.503 nan 8.370 nan 0.000 0.470 24 I N 1.259 122.002 120.570 0.289 0.000 2.315 24 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 24 I C 2.555 178.730 176.117 0.096 0.000 1.117 24 I CA 0.632 62.062 61.300 0.217 0.000 1.404 24 I CB -0.192 37.930 38.000 0.203 0.000 1.071 24 I HN -0.101 nan 8.210 nan 0.000 0.419 25 A N 1.315 124.187 122.820 0.087 0.000 1.883 25 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 25 A C 2.305 179.911 177.584 0.037 0.000 1.186 25 A CA 1.510 53.563 52.037 0.028 0.000 0.624 25 A CB -0.901 18.117 19.000 0.031 0.000 0.822 25 A HN 0.366 nan 8.150 nan 0.000 0.444 26 L N -1.130 120.130 121.223 0.062 0.000 2.046 26 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 26 L C 2.672 179.591 176.870 0.082 0.000 1.077 26 L CA 1.809 56.686 54.840 0.061 0.000 0.747 26 L CB -0.475 41.617 42.059 0.054 0.000 0.896 26 L HN 0.475 nan 8.230 nan 0.000 0.432 27 E N -0.410 119.860 120.200 0.118 0.000 2.153 27 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 27 E C 2.256 178.902 176.600 0.077 0.000 0.988 27 E CA 1.349 57.828 56.400 0.133 0.000 0.811 27 E CB -0.196 29.599 29.700 0.158 0.000 0.746 27 E HN 0.424 nan 8.360 nan 0.000 0.466 28 c N 0.568 119.182 118.600 0.024 0.000 2.432 28 c HA -0.116 4.454 4.570 -0.000 0.000 0.277 28 c C 2.333 176.433 174.090 0.017 0.000 1.249 28 c CA 1.274 57.599 56.329 -0.006 0.000 1.725 28 c CB -0.864 41.617 42.510 -0.048 0.000 2.028 28 c HN 0.546 nan 8.230 nan 0.000 0.477 29 E N 0.446 120.661 120.200 0.025 0.000 2.051 29 E HA -0.158 4.192 4.350 -0.000 0.000 0.189 29 E C 2.345 178.976 176.600 0.051 0.000 0.979 29 E CA 0.926 57.343 56.400 0.028 0.000 0.803 29 E CB -0.277 29.436 29.700 0.023 0.000 0.761 29 E HN 0.694 nan 8.360 nan 0.000 0.451 30 R N -0.712 119.837 120.500 0.082 0.000 2.200 30 R HA -0.045 4.295 4.340 -0.000 0.000 0.208 30 R C 1.259 177.665 176.300 0.177 0.000 1.033 30 R CA 1.157 57.324 56.100 0.111 0.000 1.000 30 R CB 0.014 30.383 30.300 0.115 0.000 0.906 30 R HN 0.256 nan 8.270 nan 0.000 0.462 31 Y N -0.035 120.283 120.300 0.029 0.000 2.965 31 Y HA 0.260 4.810 4.550 -0.000 0.000 0.242 31 Y C 1.804 177.726 175.900 0.037 0.000 1.078 31 Y CA -0.245 57.876 58.100 0.035 0.000 1.288 31 Y CB 0.249 38.724 38.460 0.025 0.000 1.459 31 Y HN -0.163 nan 8.280 nan 0.000 0.438 32 L N 0.464 121.767 121.223 0.134 0.000 2.012 32 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 32 L C 2.624 179.567 176.870 0.121 0.000 1.073 32 L CA 1.698 56.568 54.840 0.051 0.000 0.748 32 L CB -0.947 41.090 42.059 -0.037 0.000 0.891 32 L HN 0.379 nan 8.230 nan 0.000 0.431 33 A N 0.263 123.115 122.820 0.054 0.000 1.855 33 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 33 A C 0.139 177.734 177.584 0.018 0.000 1.191 33 A CA 1.482 53.541 52.037 0.036 0.000 0.613 33 A CB -1.815 17.190 19.000 0.009 0.000 0.829 33 A HN 0.276 nan 8.150 nan 0.000 0.442 34 P HA -0.128 nan 4.420 nan 0.000 0.216 34 P C 0.831 178.095 177.300 -0.061 0.000 1.150 34 P CA 1.376 64.451 63.100 -0.041 0.000 0.837 34 P CB 0.015 31.680 31.700 -0.059 0.000 0.786 35 K N -1.742 118.607 120.400 -0.085 0.000 2.444 35 K HA 0.302 4.621 4.320 -0.000 0.000 0.193 35 K C 1.123 177.741 176.600 0.031 0.000 1.024 35 K CA 0.612 56.873 56.287 -0.044 0.000 1.077 35 K CB -0.804 31.624 32.500 -0.120 0.000 0.833 35 K HN 0.113 nan 8.250 nan 0.000 0.517 36 G N 0.556 109.389 108.800 0.054 0.000 2.160 36 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 36 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 36 G C -0.278 174.603 174.900 -0.032 0.000 1.022 36 G CA -0.405 44.691 45.100 -0.007 0.000 0.741 36 G HN 0.172 nan 8.290 nan 0.000 0.508 37 F N 0.409 120.349 119.950 -0.016 0.000 2.429 37 F HA 0.512 5.039 4.527 -0.000 0.000 0.348 37 F C 1.802 177.607 175.800 0.010 0.000 1.109 37 F CA 0.839 58.842 58.000 0.004 0.000 1.232 37 F CB 1.365 40.381 39.000 0.027 0.000 1.157 37 F HN 0.002 nan 8.300 nan 0.000 0.564 38 G N 1.366 110.263 108.800 0.161 0.000 2.408 38 G HA2 0.392 4.352 3.960 -0.000 0.000 0.215 38 G HA3 0.392 4.352 3.960 -0.000 0.000 0.215 38 G C 0.484 175.512 174.900 0.212 0.000 1.156 38 G CA 0.686 45.882 45.100 0.160 0.000 0.793 38 G HN 1.003 nan 8.290 nan 0.000 0.535 39 G N -2.029 106.932 108.800 0.269 0.000 2.550 39 G HA2 0.471 4.431 3.960 -0.000 0.000 0.293 39 G HA3 0.471 4.431 3.960 -0.000 0.000 0.293 39 G C -2.186 172.858 174.900 0.241 0.000 1.402 39 G CA -0.290 44.985 45.100 0.292 0.000 0.784 39 G HN 0.456 nan 8.290 nan 0.000 0.482 40 V N 0.483 120.521 119.914 0.206 0.000 2.588 40 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 40 V C -0.335 175.906 176.094 0.244 0.000 1.042 40 V CA -0.741 61.633 62.300 0.124 0.000 0.877 40 V CB 1.743 33.545 31.823 -0.035 0.000 0.996 40 V HN 0.707 nan 8.190 nan 0.000 0.425 41 Q N 2.721 122.667 119.800 0.243 0.000 2.294 41 Q HA 0.521 4.861 4.340 -0.000 0.000 0.257 41 Q C -0.443 175.734 176.000 0.295 0.000 0.955 41 Q CA -0.272 55.692 55.803 0.268 0.000 0.936 41 Q CB 2.009 30.816 28.738 0.115 0.000 1.188 41 Q HN 0.794 nan 8.270 nan 0.000 0.420 42 V N 0.225 120.309 119.914 0.282 0.000 2.834 42 V HA 0.564 4.684 4.120 -0.000 0.000 0.313 42 V C 0.272 176.630 176.094 0.440 0.000 1.060 42 V CA -0.845 61.691 62.300 0.393 0.000 0.989 42 V CB 1.802 33.852 31.823 0.378 0.000 1.041 42 V HN 0.621 nan 8.190 nan 0.000 0.459 43 S N 2.564 118.582 115.700 0.529 0.000 2.600 43 S HA 0.370 4.840 4.470 -0.000 0.000 0.265 43 S C -2.390 172.432 174.600 0.371 0.000 1.325 43 S CA -0.434 58.022 58.200 0.427 0.000 1.002 43 S CB 0.293 63.697 63.200 0.341 0.000 0.921 43 S HN 0.836 nan 8.310 nan 0.000 0.554 44 P HA 0.026 nan 4.420 nan 0.000 0.258 44 P C -1.889 175.555 177.300 0.240 0.000 1.172 44 P CA -0.585 62.599 63.100 0.139 0.000 0.762 44 P CB 0.104 31.755 31.700 -0.083 0.000 0.764 45 P HA -0.032 nan 4.420 nan 0.000 0.255 45 P C -0.256 177.134 177.300 0.149 0.000 1.248 45 P CA 0.561 63.825 63.100 0.274 0.000 0.807 45 P CB 0.258 31.823 31.700 -0.225 0.000 1.150 46 N N 0.587 119.354 118.700 0.112 0.000 2.508 46 N HA 0.058 4.798 4.740 -0.000 0.000 0.285 46 N C -0.210 175.279 175.510 -0.034 0.000 1.144 46 N CA -0.500 52.562 53.050 0.019 0.000 0.978 46 N CB 1.393 39.822 38.487 -0.097 0.000 1.180 46 N HN -0.051 nan 8.380 nan 0.000 0.484 47 E N 0.611 120.772 120.200 -0.065 0.000 2.529 47 E HA -0.114 4.236 4.350 -0.000 0.000 0.259 47 E C -0.376 176.137 176.600 -0.145 0.000 0.966 47 E CA 0.074 56.420 56.400 -0.090 0.000 0.937 47 E CB 0.255 29.901 29.700 -0.090 0.000 0.923 47 E HN 0.725 nan 8.360 nan 0.000 0.468 48 N N 2.094 120.709 118.700 -0.141 0.000 2.577 48 N HA 0.264 5.003 4.740 -0.000 0.000 0.285 48 N C -0.894 174.494 175.510 -0.203 0.000 1.309 48 N CA -0.772 52.176 53.050 -0.170 0.000 0.798 48 N CB 1.011 39.419 38.487 -0.132 0.000 1.463 48 N HN 0.191 nan 8.380 nan 0.000 0.518 49 V N 0.234 120.022 119.914 -0.211 0.000 2.637 49 V HA 0.345 4.465 4.120 -0.000 0.000 0.296 49 V C 0.615 176.630 176.094 -0.132 0.000 1.046 49 V CA -0.591 61.599 62.300 -0.182 0.000 1.066 49 V CB 0.639 32.403 31.823 -0.098 0.000 0.968 49 V HN 0.845 nan 8.190 nan 0.000 0.483 50 A N 7.005 129.769 122.820 -0.094 0.000 2.316 50 A HA 0.628 4.948 4.320 -0.000 0.000 0.311 50 A C -0.275 177.122 177.584 -0.312 0.000 1.339 50 A CA -0.324 51.567 52.037 -0.243 0.000 0.960 50 A CB -0.312 18.596 19.000 -0.154 0.000 1.152 50 A HN 0.764 nan 8.150 nan 0.000 0.547 51 I N 2.431 122.744 120.570 -0.428 0.000 2.331 51 I HA 0.205 4.375 4.170 -0.000 0.000 0.292 51 I C -0.101 175.688 176.117 -0.546 0.000 0.998 51 I CA -0.092 61.007 61.300 -0.335 0.000 1.267 51 I CB 1.153 38.997 38.000 -0.261 0.000 1.386 51 I HN 0.778 nan 8.210 nan 0.000 0.476 52 Y N 3.325 123.572 120.300 -0.089 0.000 2.444 52 Y HA 0.169 4.719 4.550 -0.001 0.000 0.249 52 Y C 0.667 176.567 175.900 0.000 0.000 1.134 52 Y CA -0.308 57.774 58.100 -0.029 0.000 1.261 52 Y CB 0.301 38.792 38.460 0.052 0.000 1.143 52 Y HN 0.526 nan 8.280 nan 0.000 0.523 53 N N 1.513 120.238 118.700 0.042 0.000 2.609 53 N HA 0.232 4.972 4.740 -0.000 0.000 0.268 53 N C -2.918 172.532 175.510 -0.101 0.000 1.106 53 N CA -1.766 51.270 53.050 -0.025 0.000 0.823 53 N CB 1.058 39.557 38.487 0.021 0.000 1.263 53 N HN -0.158 nan 8.380 nan 0.000 0.533 54 P HA 0.146 nan 4.420 nan 0.000 0.273 54 P C -0.493 176.645 177.300 -0.270 0.000 1.250 54 P CA -0.366 62.419 63.100 -0.525 0.000 0.793 54 P CB 0.575 31.458 31.700 -1.362 0.000 1.011 55 F N 2.812 122.624 119.950 -0.231 0.000 2.502 55 F HA 0.079 4.606 4.527 -0.001 0.000 0.361 55 F C 0.704 176.499 175.800 -0.008 0.000 1.157 55 F CA -0.092 57.899 58.000 -0.015 0.000 1.096 55 F CB -0.334 38.739 39.000 0.122 0.000 1.141 55 F HN 0.227 nan 8.300 nan 0.000 0.579 56 R N 3.297 123.361 120.500 -0.727 0.000 3.127 56 R HA -0.153 4.187 4.340 -0.000 0.000 0.247 56 R C -2.645 173.410 176.300 -0.408 0.000 0.896 56 R CA 0.307 55.986 56.100 -0.702 0.000 0.624 56 R CB -2.492 27.267 30.300 -0.902 0.000 1.154 56 R HN 0.417 nan 8.270 nan 0.000 0.474 57 P HA -0.028 nan 4.420 nan 0.000 0.272 57 P C 1.512 178.484 177.300 -0.547 0.000 1.230 57 P CA -0.469 62.285 63.100 -0.577 0.000 0.788 57 P CB 0.255 31.070 31.700 -1.474 0.000 0.949 58 W N 3.025 124.183 121.300 -0.236 0.000 2.363 58 W HA -0.116 4.544 4.660 -0.000 0.000 0.296 58 W C 1.677 178.298 176.519 0.170 0.000 1.212 58 W CA 0.859 58.218 57.345 0.024 0.000 1.260 58 W CB -1.838 27.824 29.460 0.336 0.000 1.131 58 W HN 0.461 nan 8.180 nan 0.000 0.530 59 W N 3.420 124.224 121.300 -0.826 0.000 2.961 59 W HA 0.006 4.666 4.660 -0.000 0.000 0.240 59 W C 1.554 177.969 176.519 -0.174 0.000 1.305 59 W CA 0.915 57.860 57.345 -0.665 0.000 1.465 59 W CB -1.429 27.284 29.460 -1.245 0.000 1.135 59 W HN 0.227 nan 8.180 nan 0.000 0.688 60 E N 1.774 121.870 120.200 -0.172 0.000 2.338 60 E HA -0.156 4.194 4.350 -0.000 0.000 0.197 60 E C 1.790 178.378 176.600 -0.021 0.000 1.007 60 E CA 0.798 57.150 56.400 -0.080 0.000 0.849 60 E CB -0.498 29.025 29.700 -0.294 0.000 0.774 60 E HN 0.262 nan 8.360 nan 0.000 0.506 61 R N -0.408 120.079 120.500 -0.023 0.000 2.307 61 R HA 0.005 4.344 4.340 -0.000 0.000 0.199 61 R C 0.327 176.442 176.300 -0.307 0.000 1.000 61 R CA 0.551 56.560 56.100 -0.151 0.000 1.023 61 R CB 0.027 30.226 30.300 -0.169 0.000 0.908 61 R HN 0.297 nan 8.270 nan 0.000 0.473 62 Y N -0.040 120.370 120.300 0.184 0.000 2.658 62 Y HA 0.194 4.743 4.550 -0.000 0.000 0.276 62 Y C 0.273 176.320 175.900 0.245 0.000 1.167 62 Y CA -0.182 58.061 58.100 0.238 0.000 1.230 62 Y CB 0.575 39.212 38.460 0.295 0.000 1.144 62 Y HN -0.085 nan 8.280 nan 0.000 0.529 63 Q N 1.339 121.241 119.800 0.170 0.000 2.907 63 Q HA 0.336 4.676 4.340 -0.000 0.000 0.262 63 Q C -2.831 173.160 176.000 -0.015 0.000 0.997 63 Q CA -2.338 53.541 55.803 0.126 0.000 0.797 63 Q CB 1.008 29.811 28.738 0.109 0.000 1.228 63 Q HN 0.013 nan 8.270 nan 0.000 0.466 64 P HA -0.073 nan 4.420 nan 0.000 0.266 64 P C -0.250 176.901 177.300 -0.249 0.000 1.195 64 P CA 0.121 63.114 63.100 -0.178 0.000 0.768 64 P CB 1.352 32.930 31.700 -0.205 0.000 0.838 65 V N 0.559 120.295 119.914 -0.296 0.000 3.473 65 V HA 0.134 4.254 4.120 -0.000 0.000 0.253 65 V C 0.697 176.675 176.094 -0.194 0.000 1.340 65 V CA 1.331 63.469 62.300 -0.270 0.000 1.103 65 V CB 0.556 32.087 31.823 -0.486 0.000 0.881 65 V HN 0.823 nan 8.190 nan 0.000 0.451 66 S N -2.102 113.385 115.700 -0.355 0.000 2.683 66 S HA 0.428 4.898 4.470 -0.000 0.000 0.269 66 S C -0.970 173.266 174.600 -0.606 0.000 1.165 66 S CA -0.374 57.547 58.200 -0.465 0.000 0.840 66 S CB 0.774 63.852 63.200 -0.204 0.000 1.169 66 S HN -0.046 nan 8.310 nan 0.000 0.490 67 Y N 1.035 121.172 120.300 -0.272 0.000 2.607 67 Y HA 0.455 5.005 4.550 -0.000 0.000 0.266 67 Y C 0.624 176.404 175.900 -0.201 0.000 1.178 67 Y CA -0.809 57.035 58.100 -0.427 0.000 1.226 67 Y CB -0.150 37.987 38.460 -0.539 0.000 1.144 67 Y HN 0.393 nan 8.280 nan 0.000 0.528 68 K N 0.841 121.226 120.400 -0.025 0.000 2.350 68 K HA 0.147 4.466 4.320 -0.000 0.000 0.279 68 K C -0.491 176.138 176.600 0.048 0.000 1.027 68 K CA -0.476 55.824 56.287 0.021 0.000 0.969 68 K CB 0.757 33.262 32.500 0.009 0.000 0.954 68 K HN -0.057 nan 8.250 nan 0.000 0.474 69 L N 3.774 125.047 121.223 0.083 0.000 2.384 69 L HA 0.066 4.406 4.340 -0.000 0.000 0.258 69 L C -0.384 176.565 176.870 0.131 0.000 1.266 69 L CA 0.238 55.122 54.840 0.075 0.000 1.162 69 L CB -0.486 41.583 42.059 0.017 0.000 1.375 69 L HN 0.609 nan 8.230 nan 0.000 0.420 70 c N 2.082 120.747 118.600 0.109 0.000 2.781 70 c HA 0.741 5.311 4.570 -0.000 0.000 0.348 70 c C 0.290 174.414 174.090 0.057 0.000 1.051 70 c CA 0.062 56.452 56.329 0.101 0.000 1.347 70 c CB 0.088 42.640 42.510 0.070 0.000 1.846 70 c HN 0.868 nan 8.230 nan 0.000 0.473 71 T N 1.988 116.574 114.554 0.052 0.000 2.696 71 T HA 0.498 4.848 4.350 -0.000 0.000 0.291 71 T C 0.951 175.588 174.700 -0.104 0.000 1.095 71 T CA -0.653 61.429 62.100 -0.031 0.000 1.026 71 T CB 1.061 69.914 68.868 -0.025 0.000 1.390 71 T HN 0.538 nan 8.240 nan 0.000 0.513 72 R N 0.101 120.511 120.500 -0.149 0.000 2.237 72 R HA 0.028 4.368 4.340 -0.000 0.000 0.219 72 R C 2.039 178.177 176.300 -0.270 0.000 1.080 72 R CA 0.988 56.985 56.100 -0.173 0.000 0.995 72 R CB -0.417 29.782 30.300 -0.169 0.000 0.875 72 R HN 0.556 nan 8.270 nan 0.000 0.462 73 S N -0.528 114.899 115.700 -0.455 0.000 2.496 73 S HA 0.128 4.598 4.470 -0.000 0.000 0.224 73 S C 0.728 174.770 174.600 -0.930 0.000 0.996 73 S CA 0.661 58.339 58.200 -0.870 0.000 0.927 73 S CB 0.690 62.874 63.200 -1.694 0.000 0.774 73 S HN 0.645 nan 8.310 nan 0.000 0.524 74 G N 1.396 109.904 108.800 -0.485 0.000 2.369 74 G HA2 0.123 4.083 3.960 -0.000 0.000 0.307 74 G HA3 0.123 4.083 3.960 -0.000 0.000 0.307 74 G C -1.246 173.779 174.900 0.209 0.000 1.327 74 G CA -0.653 44.387 45.100 -0.101 0.000 0.963 74 G HN 0.342 nan 8.290 nan 0.000 0.590 75 N N -0.726 118.144 118.700 0.283 0.000 2.566 75 N HA 0.435 5.175 4.740 -0.000 0.000 0.299 75 N C 1.138 176.860 175.510 0.354 0.000 1.277 75 N CA 0.150 53.361 53.050 0.269 0.000 0.965 75 N CB 0.822 39.413 38.487 0.173 0.000 1.142 75 N HN 0.791 nan 8.380 nan 0.000 0.596 76 E N -0.915 119.437 120.200 0.253 0.000 2.110 76 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 76 E C 0.384 177.137 176.600 0.255 0.000 0.988 76 E CA 1.359 57.910 56.400 0.252 0.000 0.804 76 E CB -0.131 29.692 29.700 0.205 0.000 0.745 76 E HN 0.531 nan 8.360 nan 0.000 0.458 77 D N 0.594 121.117 120.400 0.205 0.000 2.117 77 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 77 D C 1.760 178.162 176.300 0.170 0.000 0.987 77 D CA 1.132 55.230 54.000 0.163 0.000 0.829 77 D CB -0.153 40.724 40.800 0.129 0.000 0.961 77 D HN 0.394 nan 8.370 nan 0.000 0.460 78 E N -0.104 120.237 120.200 0.234 0.000 2.153 78 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 78 E C 1.897 178.637 176.600 0.233 0.000 0.988 78 E CA 0.380 56.940 56.400 0.265 0.000 0.811 78 E CB -0.171 29.749 29.700 0.368 0.000 0.746 78 E HN 0.225 nan 8.360 nan 0.000 0.466 79 F N 1.793 121.764 119.950 0.034 0.000 2.113 79 F HA -0.101 4.426 4.527 -0.000 0.000 0.297 79 F C 2.303 177.955 175.800 -0.247 0.000 1.103 79 F CA 1.390 59.147 58.000 -0.406 0.000 1.248 79 F CB 0.074 38.787 39.000 -0.478 0.000 0.999 79 F HN -0.227 nan 8.300 nan 0.000 0.475 80 R N 0.305 120.795 120.500 -0.018 0.000 2.081 80 R HA -0.212 4.127 4.340 -0.000 0.000 0.235 80 R C 2.313 178.536 176.300 -0.128 0.000 1.131 80 R CA 1.420 57.470 56.100 -0.084 0.000 0.960 80 R CB -0.886 29.448 30.300 0.057 0.000 0.856 80 R HN 0.429 nan 8.270 nan 0.000 0.436 81 N N 1.048 119.717 118.700 -0.052 0.000 2.104 81 N HA -0.222 4.518 4.740 -0.000 0.000 0.190 81 N C 1.857 177.304 175.510 -0.105 0.000 1.024 81 N CA 1.503 54.533 53.050 -0.033 0.000 0.853 81 N CB -0.051 38.452 38.487 0.027 0.000 1.008 81 N HN 0.238 nan 8.380 nan 0.000 0.424 82 M N 0.733 120.228 119.600 -0.176 0.000 2.086 82 M HA -0.131 4.348 4.480 -0.000 0.000 0.261 82 M C 1.916 177.999 176.300 -0.361 0.000 1.067 82 M CA 1.375 56.537 55.300 -0.230 0.000 1.116 82 M CB -0.087 32.361 32.600 -0.254 0.000 1.348 82 M HN -0.038 nan 8.290 nan 0.000 0.407 83 V N 0.665 120.249 119.914 -0.549 0.000 2.343 83 V HA -0.257 3.862 4.120 -0.000 0.000 0.247 83 V C 2.333 178.129 176.094 -0.497 0.000 1.051 83 V CA 2.336 64.287 62.300 -0.580 0.000 1.036 83 V CB -1.279 30.147 31.823 -0.661 0.000 0.654 83 V HN 0.594 nan 8.190 nan 0.000 0.451 84 T N -0.215 114.154 114.554 -0.309 0.000 2.674 84 T HA -0.203 4.147 4.350 -0.000 0.000 0.265 84 T C 2.082 176.699 174.700 -0.137 0.000 1.039 84 T CA 1.692 63.706 62.100 -0.143 0.000 1.150 84 T CB -0.253 68.674 68.868 0.098 0.000 0.864 84 T HN 0.414 nan 8.240 nan 0.000 0.427 85 R N 0.101 120.535 120.500 -0.110 0.000 2.081 85 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 85 R C 2.810 179.032 176.300 -0.131 0.000 1.131 85 R CA 1.395 57.448 56.100 -0.078 0.000 0.960 85 R CB -0.803 29.468 30.300 -0.049 0.000 0.856 85 R HN 0.380 nan 8.270 nan 0.000 0.436 86 c N 0.593 119.071 118.600 -0.204 0.000 2.453 86 c HA -0.022 4.548 4.570 -0.000 0.000 0.277 86 c C 2.333 176.248 174.090 -0.292 0.000 1.262 86 c CA 0.438 56.636 56.329 -0.217 0.000 1.718 86 c CB -0.977 41.386 42.510 -0.245 0.000 2.031 86 c HN 0.508 nan 8.230 nan 0.000 0.480 87 N N 1.583 119.992 118.700 -0.485 0.000 2.166 87 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 87 N C 1.297 176.550 175.510 -0.429 0.000 1.019 87 N CA 1.116 53.737 53.050 -0.715 0.000 0.856 87 N CB -0.627 36.881 38.487 -1.633 0.000 0.993 87 N HN 0.511 nan 8.380 nan 0.000 0.426 88 N N 0.142 118.727 118.700 -0.192 0.000 2.453 88 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 88 N C 1.088 176.584 175.510 -0.023 0.000 1.041 88 N CA 0.253 53.319 53.050 0.028 0.000 0.900 88 N CB 0.137 38.682 38.487 0.098 0.000 0.961 88 N HN 0.053 nan 8.380 nan 0.000 0.443 89 V N -0.634 119.234 119.914 -0.077 0.000 3.319 89 V HA 0.320 4.440 4.120 -0.000 0.000 0.317 89 V C 0.910 176.964 176.094 -0.067 0.000 1.411 89 V CA 0.556 62.825 62.300 -0.052 0.000 1.112 89 V CB -0.447 31.353 31.823 -0.038 0.000 1.031 89 V HN 0.378 nan 8.190 nan 0.000 0.448 90 G N 0.688 109.421 108.800 -0.112 0.000 2.143 90 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.248 90 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.248 90 G C 0.071 174.910 174.900 -0.101 0.000 0.991 90 G CA 0.339 45.370 45.100 -0.114 0.000 0.689 90 G HN 0.713 nan 8.290 nan 0.000 0.522 91 V N 2.187 122.026 119.914 -0.125 0.000 2.357 91 V HA 0.548 4.668 4.120 -0.000 0.000 0.284 91 V C 0.569 176.564 176.094 -0.166 0.000 1.018 91 V CA -1.328 60.920 62.300 -0.086 0.000 0.841 91 V CB 1.378 33.167 31.823 -0.057 0.000 0.991 91 V HN 0.330 nan 8.190 nan 0.000 0.437 92 R N 4.164 124.583 120.500 -0.135 0.000 2.615 92 R HA 0.500 4.840 4.340 -0.000 0.000 0.270 92 R C -0.519 175.532 176.300 -0.415 0.000 1.081 92 R CA -0.628 55.297 56.100 -0.292 0.000 1.154 92 R CB 0.801 30.918 30.300 -0.304 0.000 1.063 92 R HN 0.419 nan 8.270 nan 0.000 0.519 93 I N 2.830 123.049 120.570 -0.585 0.000 2.406 93 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 93 I C -0.636 175.068 176.117 -0.688 0.000 0.999 93 I CA -0.929 60.074 61.300 -0.496 0.000 1.124 93 I CB 1.107 38.842 38.000 -0.441 0.000 1.289 93 I HN 0.412 nan 8.210 nan 0.000 0.441 94 Y N 4.787 125.050 120.300 -0.062 0.000 2.341 94 Y HA 0.459 5.009 4.550 -0.000 0.000 0.338 94 Y C 0.234 176.096 175.900 -0.062 0.000 0.965 94 Y CA -0.886 57.173 58.100 -0.069 0.000 1.108 94 Y CB 1.866 40.421 38.460 0.159 0.000 1.180 94 Y HN 0.178 nan 8.280 nan 0.000 0.458 95 V N 3.124 122.997 119.914 -0.069 0.000 2.509 95 V HA 0.103 4.223 4.120 -0.000 0.000 0.284 95 V C -0.107 176.094 176.094 0.179 0.000 1.047 95 V CA -0.738 61.611 62.300 0.082 0.000 0.952 95 V CB 1.409 33.292 31.823 0.099 0.000 0.988 95 V HN 0.662 nan 8.190 nan 0.000 0.469 96 D N 4.099 124.614 120.400 0.193 0.000 2.352 96 D HA 0.341 4.981 4.640 -0.000 0.000 0.245 96 D C 0.042 176.469 176.300 0.212 0.000 1.224 96 D CA -0.068 54.038 54.000 0.177 0.000 0.879 96 D CB 1.249 42.178 40.800 0.214 0.000 1.057 96 D HN 0.683 nan 8.370 nan 0.000 0.491 97 A N 4.225 127.155 122.820 0.184 0.000 2.260 97 A HA 0.392 4.711 4.320 -0.000 0.000 0.312 97 A C -0.123 177.530 177.584 0.115 0.000 1.321 97 A CA -0.678 51.456 52.037 0.162 0.000 0.928 97 A CB 0.634 19.644 19.000 0.018 0.000 1.158 97 A HN 0.380 nan 8.150 nan 0.000 0.542 98 V N 5.520 125.506 119.914 0.119 0.000 2.258 98 V HA 0.144 4.264 4.120 -0.000 0.000 0.258 98 V C 0.856 176.917 176.094 -0.055 0.000 1.121 98 V CA 0.284 62.600 62.300 0.027 0.000 0.942 98 V CB -0.493 31.337 31.823 0.012 0.000 1.170 98 V HN 0.870 nan 8.190 nan 0.000 0.487 99 I N 0.376 120.908 120.570 -0.064 0.000 4.154 99 I HA 0.343 4.513 4.170 -0.000 0.000 0.334 99 I C 1.502 177.576 176.117 -0.071 0.000 1.371 99 I CA 0.227 61.498 61.300 -0.049 0.000 1.110 99 I CB 0.105 38.075 38.000 -0.049 0.000 1.085 99 I HN 0.463 nan 8.210 nan 0.000 0.398 100 N N 1.524 120.157 118.700 -0.111 0.000 2.376 100 N HA -0.059 4.681 4.740 -0.000 0.000 0.177 100 N C 0.565 176.100 175.510 0.041 0.000 1.024 100 N CA 0.897 53.952 53.050 0.008 0.000 0.893 100 N CB 0.199 38.783 38.487 0.161 0.000 0.980 100 N HN 0.685 nan 8.380 nan 0.000 0.439 101 H N -3.570 115.519 119.070 0.031 0.000 2.933 101 H HA 0.321 4.877 4.556 0.000 0.000 0.310 101 H C -0.567 174.752 175.328 -0.015 0.000 1.351 101 H CA -0.895 55.164 56.048 0.019 0.000 1.137 101 H CB 0.548 30.318 29.762 0.014 0.000 1.853 101 H HN -0.182 nan 8.280 nan 0.000 0.539 102 M N 0.720 120.397 119.600 0.129 0.000 2.357 102 M HA 0.314 4.794 4.480 -0.000 0.000 0.232 102 M C 0.922 177.278 176.300 0.093 0.000 0.819 102 M CA -0.417 54.834 55.300 -0.082 0.000 1.630 102 M CB 0.320 32.611 32.600 -0.516 0.000 1.242 102 M HN 0.876 nan 8.290 nan 0.000 0.838 103 C N 0.091 119.427 119.300 0.061 0.000 2.480 103 C HA 0.771 5.231 4.460 -0.000 0.000 0.344 103 C C 1.008 176.052 174.990 0.090 0.000 1.380 103 C CA -0.942 58.143 59.018 0.112 0.000 2.386 103 C CB -0.621 27.188 27.740 0.115 0.000 2.210 103 C HN 0.838 nan 8.230 nan 0.000 0.640 104 G N 1.617 110.451 108.800 0.057 0.000 2.432 104 G HA2 0.173 4.133 3.960 -0.000 0.000 0.239 104 G HA3 0.173 4.133 3.960 -0.000 0.000 0.239 104 G C 0.927 175.840 174.900 0.020 0.000 1.291 104 G CA 0.260 45.363 45.100 0.005 0.000 0.863 104 G HN 1.047 nan 8.290 nan 0.000 0.560 105 N N 1.459 120.144 118.700 -0.025 0.000 2.381 105 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 105 N C 1.742 177.232 175.510 -0.034 0.000 1.025 105 N CA 1.102 54.127 53.050 -0.041 0.000 0.888 105 N CB -0.040 38.405 38.487 -0.071 0.000 0.965 105 N HN 0.433 nan 8.380 nan 0.000 0.438 106 A N 0.769 123.575 122.820 -0.024 0.000 2.218 106 A HA 0.258 4.578 4.320 -0.000 0.000 0.209 106 A C 0.854 178.436 177.584 -0.004 0.000 1.168 106 A CA -0.287 51.736 52.037 -0.023 0.000 0.804 106 A CB -0.043 18.942 19.000 -0.026 0.000 0.834 106 A HN 0.103 nan 8.150 nan 0.000 0.482 107 V N 1.607 121.538 119.914 0.029 0.000 2.763 107 V HA 0.049 4.169 4.120 -0.000 0.000 0.306 107 V C 0.750 176.846 176.094 0.003 0.000 1.059 107 V CA 0.033 62.372 62.300 0.065 0.000 1.138 107 V CB 1.015 32.944 31.823 0.177 0.000 0.940 107 V HN 0.406 nan 8.190 nan 0.000 0.489 108 S N 3.433 119.119 115.700 -0.024 0.000 2.549 108 S HA 0.480 4.950 4.470 -0.000 0.000 0.279 108 S C 0.484 174.913 174.600 -0.286 0.000 1.321 108 S CA -0.223 57.911 58.200 -0.110 0.000 1.054 108 S CB 1.043 64.199 63.200 -0.073 0.000 0.899 108 S HN 1.073 nan 8.310 nan 0.000 0.497 109 A N 2.587 125.200 122.820 -0.345 0.000 2.425 109 A HA 0.701 5.021 4.320 -0.000 0.000 0.242 109 A C 1.011 178.270 177.584 -0.541 0.000 1.077 109 A CA 0.460 52.143 52.037 -0.591 0.000 0.781 109 A CB -0.353 18.418 19.000 -0.381 0.000 1.020 109 A HN 1.336 nan 8.150 nan 0.000 0.494 110 G N -0.797 107.539 108.800 -0.773 0.000 2.334 110 G HA2 0.388 4.348 3.960 -0.000 0.000 0.249 110 G HA3 0.388 4.348 3.960 -0.000 0.000 0.249 110 G C 0.024 174.731 174.900 -0.322 0.000 1.327 110 G CA 0.586 45.492 45.100 -0.324 0.000 0.979 110 G HN 1.743 nan 8.290 nan 0.000 0.471 111 T N -2.296 112.239 114.554 -0.031 0.000 3.331 111 T HA 0.523 4.872 4.350 -0.000 0.000 0.282 111 T C 0.763 175.590 174.700 0.211 0.000 1.010 111 T CA 0.974 63.159 62.100 0.141 0.000 0.928 111 T CB 0.698 69.660 68.868 0.157 0.000 1.154 111 T HN 1.196 nan 8.240 nan 0.000 0.516 112 S N 2.837 118.679 115.700 0.237 0.000 4.183 112 S HA 0.434 4.903 4.470 -0.000 0.000 0.195 112 S C 0.316 175.119 174.600 0.338 0.000 1.421 112 S CA -0.546 57.821 58.200 0.279 0.000 0.920 112 S CB -1.045 62.305 63.200 0.251 0.000 1.525 112 S HN 0.755 nan 8.310 nan 0.000 0.447 113 S N 0.861 116.711 115.700 0.250 0.000 2.634 113 S HA 0.411 4.881 4.470 -0.000 0.000 0.296 113 S C 1.133 175.757 174.600 0.041 0.000 1.104 113 S CA -0.316 57.936 58.200 0.087 0.000 0.920 113 S CB 1.068 64.302 63.200 0.056 0.000 1.111 113 S HN 0.453 nan 8.310 nan 0.000 0.493 114 T N -3.080 111.458 114.554 -0.026 0.000 3.051 114 T HA -0.072 4.277 4.350 -0.000 0.000 0.269 114 T C 1.087 175.793 174.700 0.010 0.000 1.127 114 T CA 0.977 63.063 62.100 -0.022 0.000 1.107 114 T CB -0.627 68.207 68.868 -0.058 0.000 0.898 114 T HN 0.636 nan 8.240 nan 0.000 0.517 115 c N 0.542 119.156 118.600 0.023 0.000 3.525 115 c HA 0.676 5.246 4.570 -0.000 0.000 0.289 115 c C 2.022 176.149 174.090 0.063 0.000 1.496 115 c CA -0.112 56.241 56.329 0.040 0.000 1.804 115 c CB -0.871 41.658 42.510 0.032 0.000 2.708 115 c HN 0.886 nan 8.230 nan 0.000 0.642 116 G N 1.482 110.333 108.800 0.085 0.000 2.179 116 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 116 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 116 G C 0.226 175.213 174.900 0.145 0.000 0.977 116 G CA 0.579 45.746 45.100 0.112 0.000 0.641 116 G HN 0.577 nan 8.290 nan 0.000 0.533 117 S N -0.197 115.587 115.700 0.140 0.000 2.560 117 S HA 0.399 4.868 4.470 -0.000 0.000 0.284 117 S C 0.046 174.824 174.600 0.297 0.000 1.327 117 S CA -0.219 58.087 58.200 0.175 0.000 1.055 117 S CB 0.755 64.023 63.200 0.114 0.000 0.868 117 S HN 0.611 nan 8.310 nan 0.000 0.506 118 Y N 4.100 124.496 120.300 0.160 0.000 2.304 118 Y HA 0.549 5.099 4.550 -0.000 0.000 0.327 118 Y C -0.501 175.529 175.900 0.217 0.000 1.209 118 Y CA -0.952 57.224 58.100 0.127 0.000 1.299 118 Y CB 0.361 38.833 38.460 0.019 0.000 1.249 118 Y HN 0.568 nan 8.280 nan 0.000 0.519 119 F N 3.121 122.438 119.950 -1.054 0.000 2.678 119 F HA 0.437 4.963 4.527 -0.000 0.000 0.308 119 F C -1.909 173.224 175.800 -1.112 0.000 1.118 119 F CA -1.457 55.975 58.000 -0.945 0.000 0.959 119 F CB 1.284 39.966 39.000 -0.531 0.000 1.305 119 F HN 0.427 nan 8.300 nan 0.000 0.443 120 N N 2.930 121.090 118.700 -0.900 0.000 2.648 120 N HA 0.403 5.143 4.740 -0.000 0.000 0.261 120 N C -2.565 172.645 175.510 -0.500 0.000 1.138 120 N CA -2.120 50.541 53.050 -0.649 0.000 0.804 120 N CB 2.008 40.265 38.487 -0.383 0.000 1.237 120 N HN 0.286 nan 8.380 nan 0.000 0.532 121 P HA -0.053 nan 4.420 nan 0.000 0.216 121 P C 1.335 178.531 177.300 -0.174 0.000 1.153 121 P CA 1.307 64.299 63.100 -0.180 0.000 0.858 121 P CB 0.209 31.901 31.700 -0.012 0.000 0.789 122 G N -0.030 108.673 108.800 -0.161 0.000 2.476 122 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 122 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 122 G C 1.468 176.294 174.900 -0.125 0.000 1.164 122 G CA 1.535 46.559 45.100 -0.126 0.000 0.768 122 G HN 0.447 nan 8.290 nan 0.000 0.560 123 S N -1.030 114.591 115.700 -0.131 0.000 2.634 123 S HA 0.318 4.787 4.470 -0.000 0.000 0.221 123 S C 1.044 175.589 174.600 -0.091 0.000 0.952 123 S CA 0.191 58.331 58.200 -0.099 0.000 0.930 123 S CB 0.276 63.437 63.200 -0.066 0.000 0.780 123 S HN 0.245 nan 8.310 nan 0.000 0.498 124 R N 0.586 121.003 120.500 -0.138 0.000 3.525 124 R HA -0.139 4.201 4.340 -0.000 0.000 0.276 124 R C -1.660 174.716 176.300 0.128 0.000 1.116 124 R CA 0.815 56.873 56.100 -0.070 0.000 0.745 124 R CB -2.860 27.418 30.300 -0.036 0.000 1.185 124 R HN 0.623 nan 8.270 nan 0.000 0.454 125 D N -0.488 119.832 120.400 -0.133 0.000 2.349 125 D HA 0.401 5.041 4.640 -0.000 0.000 0.232 125 D C -0.522 175.591 176.300 -0.312 0.000 1.071 125 D CA -0.149 53.833 54.000 -0.030 0.000 0.832 125 D CB 0.496 41.305 40.800 0.015 0.000 1.086 125 D HN 0.027 nan 8.370 nan 0.000 0.504 126 F N 3.551 123.644 119.950 0.238 0.000 2.622 126 F HA 0.265 4.792 4.527 -0.001 0.000 0.338 126 F C -1.514 174.377 175.800 0.152 0.000 1.334 126 F CA -1.730 56.386 58.000 0.193 0.000 1.179 126 F CB 1.492 40.633 39.000 0.235 0.000 1.471 126 F HN 0.262 nan 8.300 nan 0.000 0.576 127 P HA -0.236 nan 4.420 nan 0.000 0.220 127 P C 1.375 178.759 177.300 0.140 0.000 1.144 127 P CA 1.441 64.660 63.100 0.198 0.000 0.800 127 P CB 0.336 32.161 31.700 0.209 0.000 0.772 128 A N -0.535 122.363 122.820 0.130 0.000 2.119 128 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 128 A C 2.287 179.860 177.584 -0.019 0.000 1.153 128 A CA 1.023 53.095 52.037 0.058 0.000 0.692 128 A CB -1.146 17.884 19.000 0.049 0.000 0.799 128 A HN 0.104 nan 8.150 nan 0.000 0.458 129 V N 0.415 120.289 119.914 -0.067 0.000 2.341 129 V HA 0.034 4.154 4.120 -0.000 0.000 0.240 129 V C -1.397 174.624 176.094 -0.122 0.000 1.035 129 V CA 1.312 63.476 62.300 -0.226 0.000 1.033 129 V CB -0.924 30.512 31.823 -0.645 0.000 0.678 129 V HN 0.490 nan 8.190 nan 0.000 0.464 130 P HA 0.423 nan 4.420 nan 0.000 0.292 130 P C -1.987 175.386 177.300 0.123 0.000 1.300 130 P CA -0.288 62.845 63.100 0.056 0.000 0.900 130 P CB 1.954 33.739 31.700 0.142 0.000 1.139 131 Y N -0.430 120.063 120.300 0.321 0.000 2.536 131 Y HA 0.535 5.085 4.550 -0.000 0.000 0.347 131 Y C 0.895 177.046 175.900 0.418 0.000 1.000 131 Y CA -0.424 57.882 58.100 0.344 0.000 1.051 131 Y CB 2.317 40.934 38.460 0.261 0.000 1.259 131 Y HN 0.518 nan 8.280 nan 0.000 0.468 132 S N -1.109 114.934 115.700 0.572 0.000 2.806 132 S HA 0.573 5.043 4.470 -0.000 0.000 0.306 132 S C 0.940 175.814 174.600 0.457 0.000 1.167 132 S CA -0.299 58.176 58.200 0.458 0.000 0.847 132 S CB 1.207 64.633 63.200 0.376 0.000 1.216 132 S HN 0.857 nan 8.310 nan 0.000 0.532 133 G N -0.297 108.626 108.800 0.206 0.000 2.462 133 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.220 133 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.220 133 G C 0.676 175.598 174.900 0.037 0.000 1.121 133 G CA 0.469 45.617 45.100 0.079 0.000 0.758 133 G HN 0.771 nan 8.290 nan 0.000 0.559 134 W N 0.693 122.100 121.300 0.178 0.000 2.699 134 W HA 0.170 4.830 4.660 0.000 0.000 0.249 134 W C 1.079 177.634 176.519 0.060 0.000 1.280 134 W CA 0.152 57.557 57.345 0.101 0.000 1.345 134 W CB 0.428 29.920 29.460 0.053 0.000 1.128 134 W HN 0.107 nan 8.180 nan 0.000 0.642 135 D N -1.138 119.378 120.400 0.192 0.000 2.368 135 D HA 0.110 4.750 4.640 -0.000 0.000 0.218 135 D C -0.330 175.632 176.300 -0.565 0.000 1.112 135 D CA 0.336 54.247 54.000 -0.149 0.000 0.834 135 D CB -0.071 40.591 40.800 -0.230 0.000 0.953 135 D HN 0.025 nan 8.370 nan 0.000 0.505 136 F N 0.300 120.261 119.950 0.019 0.000 2.575 136 F HA 0.319 4.846 4.527 0.000 0.000 0.330 136 F C 1.382 177.191 175.800 0.016 0.000 1.056 136 F CA -1.060 56.931 58.000 -0.015 0.000 0.964 136 F CB 0.888 39.878 39.000 -0.016 0.000 1.258 136 F HN -0.361 nan 8.300 nan 0.000 0.484 137 N N 0.932 119.758 118.700 0.210 0.000 2.362 137 N HA -0.039 4.701 4.740 -0.000 0.000 0.204 137 N C 0.726 176.301 175.510 0.109 0.000 1.166 137 N CA 0.317 53.448 53.050 0.136 0.000 0.831 137 N CB -0.254 38.305 38.487 0.121 0.000 1.008 137 N HN 0.568 nan 8.380 nan 0.000 0.472 138 D N 0.562 121.029 120.400 0.111 0.000 2.133 138 D HA -0.150 4.489 4.640 -0.000 0.000 0.192 138 D C 1.765 178.089 176.300 0.039 0.000 1.001 138 D CA 1.274 55.306 54.000 0.052 0.000 0.844 138 D CB -0.154 40.659 40.800 0.023 0.000 0.944 138 D HN 0.349 nan 8.370 nan 0.000 0.447 139 G N 0.282 109.111 108.800 0.048 0.000 2.650 139 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.214 139 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.214 139 G C 1.527 176.459 174.900 0.053 0.000 1.136 139 G CA 0.239 45.364 45.100 0.043 0.000 0.789 139 G HN 0.228 nan 8.290 nan 0.000 0.536 140 K N -0.465 119.974 120.400 0.066 0.000 2.242 140 K HA 0.064 4.384 4.320 -0.000 0.000 0.200 140 K C 0.910 177.550 176.600 0.067 0.000 1.050 140 K CA -0.163 56.166 56.287 0.071 0.000 0.981 140 K CB -0.078 32.477 32.500 0.091 0.000 0.795 140 K HN 0.200 nan 8.250 nan 0.000 0.477 141 c N 2.989 121.625 118.600 0.060 0.000 2.648 141 c HA 0.154 4.724 4.570 -0.000 0.000 0.419 141 c C 0.910 175.018 174.090 0.031 0.000 1.352 141 c CA -0.247 56.109 56.329 0.045 0.000 1.816 141 c CB -0.034 42.493 42.510 0.029 0.000 2.598 141 c HN 0.339 nan 8.230 nan 0.000 0.598 142 K N 3.745 124.161 120.400 0.027 0.000 2.399 142 K HA 0.112 4.432 4.320 -0.000 0.000 0.204 142 K C 0.918 177.523 176.600 0.008 0.000 1.023 142 K CA 0.132 56.431 56.287 0.020 0.000 1.127 142 K CB -0.124 32.391 32.500 0.025 0.000 0.856 142 K HN 0.926 nan 8.250 nan 0.000 0.514 143 T N -3.217 111.337 114.554 0.001 0.000 2.899 143 T HA 0.324 4.673 4.350 -0.000 0.000 0.284 143 T C 1.523 176.219 174.700 -0.007 0.000 1.004 143 T CA -0.306 61.789 62.100 -0.007 0.000 1.043 143 T CB 1.800 70.658 68.868 -0.018 0.000 1.013 143 T HN 0.121 nan 8.240 nan 0.000 0.518 144 G N 0.577 109.372 108.800 -0.008 0.000 2.432 144 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 144 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 144 G C 1.654 176.546 174.900 -0.013 0.000 1.135 144 G CA 0.819 45.914 45.100 -0.008 0.000 0.767 144 G HN 0.939 nan 8.290 nan 0.000 0.550 145 S N -1.186 114.504 115.700 -0.016 0.000 2.486 145 S HA 0.369 4.839 4.470 -0.000 0.000 0.220 145 S C 1.969 176.553 174.600 -0.026 0.000 1.011 145 S CA 1.031 59.218 58.200 -0.022 0.000 0.921 145 S CB 0.138 63.324 63.200 -0.024 0.000 0.785 145 S HN 1.491 nan 8.310 nan 0.000 0.517 146 G N 0.823 109.609 108.800 -0.024 0.000 2.217 146 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.246 146 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.246 146 G C -0.329 174.550 174.900 -0.034 0.000 0.990 146 G CA 0.245 45.331 45.100 -0.024 0.000 0.627 146 G HN 0.556 nan 8.290 nan 0.000 0.522 147 D N -0.129 120.246 120.400 -0.043 0.000 2.440 147 D HA 0.586 5.225 4.640 -0.000 0.000 0.258 147 D C 0.998 177.257 176.300 -0.068 0.000 1.092 147 D CA -0.618 53.347 54.000 -0.060 0.000 1.016 147 D CB 0.813 41.577 40.800 -0.060 0.000 1.141 147 D HN 0.230 nan 8.370 nan 0.000 0.552 148 I N 1.151 121.663 120.570 -0.097 0.000 2.533 148 I HA -0.007 4.163 4.170 -0.000 0.000 0.284 148 I C 1.330 177.395 176.117 -0.086 0.000 1.109 148 I CA 0.589 61.803 61.300 -0.143 0.000 1.412 148 I CB 0.533 38.381 38.000 -0.253 0.000 1.396 148 I HN 0.306 nan 8.210 nan 0.000 0.543 149 E N 4.011 124.167 120.200 -0.074 0.000 2.421 149 E HA 0.122 4.472 4.350 -0.000 0.000 0.209 149 E C 0.198 176.809 176.600 0.019 0.000 0.871 149 E CA 0.039 56.431 56.400 -0.014 0.000 1.064 149 E CB 0.650 30.342 29.700 -0.013 0.000 1.075 149 E HN 0.635 nan 8.360 nan 0.000 0.513 150 N N -0.457 118.227 118.700 -0.027 0.000 2.500 150 N HA 0.101 4.841 4.740 -0.000 0.000 0.291 150 N C -0.744 174.751 175.510 -0.025 0.000 1.092 150 N CA -0.204 52.864 53.050 0.030 0.000 0.890 150 N CB 0.744 39.242 38.487 0.018 0.000 1.466 150 N HN -0.108 nan 8.380 nan 0.000 0.507 151 Y N 2.149 122.447 120.300 -0.003 0.000 2.578 151 Y HA 0.085 4.634 4.550 -0.001 0.000 0.297 151 Y C 1.168 177.059 175.900 -0.015 0.000 1.176 151 Y CA 0.581 58.674 58.100 -0.010 0.000 1.315 151 Y CB -0.024 38.428 38.460 -0.013 0.000 1.031 151 Y HN 0.638 nan 8.280 nan 0.000 0.524 152 N N -0.555 118.202 118.700 0.096 0.000 2.398 152 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 152 N C -0.348 175.176 175.510 0.024 0.000 1.122 152 N CA 0.201 53.285 53.050 0.057 0.000 0.866 152 N CB 0.277 38.793 38.487 0.048 0.000 0.970 152 N HN 0.091 nan 8.380 nan 0.000 0.462 153 D N 0.076 120.474 120.400 -0.003 0.000 2.472 153 D HA 0.315 4.954 4.640 -0.000 0.000 0.234 153 D C 0.673 176.945 176.300 -0.046 0.000 1.088 153 D CA -0.602 53.391 54.000 -0.012 0.000 0.882 153 D CB 0.873 41.665 40.800 -0.014 0.000 1.037 153 D HN 0.076 nan 8.370 nan 0.000 0.520 154 A N 2.906 125.708 122.820 -0.030 0.000 2.024 154 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 154 A C 1.973 179.467 177.584 -0.149 0.000 1.164 154 A CA 1.743 53.726 52.037 -0.090 0.000 0.643 154 A CB -0.467 18.509 19.000 -0.041 0.000 0.806 154 A HN 0.588 nan 8.150 nan 0.000 0.451 155 T N -0.510 114.052 114.554 0.014 0.000 2.770 155 T HA -0.164 4.186 4.350 -0.000 0.000 0.263 155 T C 2.104 176.818 174.700 0.024 0.000 1.039 155 T CA 1.514 63.697 62.100 0.137 0.000 1.142 155 T CB -0.251 68.751 68.868 0.223 0.000 0.868 155 T HN 0.763 nan 8.240 nan 0.000 0.435 156 Q N 0.915 120.702 119.800 -0.023 0.000 2.124 156 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 156 Q C 2.212 178.132 176.000 -0.134 0.000 0.977 156 Q CA 1.356 57.124 55.803 -0.058 0.000 0.850 156 Q CB -0.356 28.340 28.738 -0.070 0.000 0.901 156 Q HN 0.334 nan 8.270 nan 0.000 0.429 157 V N 0.902 120.687 119.914 -0.214 0.000 2.469 157 V HA -0.241 3.879 4.120 -0.000 0.000 0.251 157 V C 2.243 178.247 176.094 -0.150 0.000 1.064 157 V CA 2.092 64.238 62.300 -0.256 0.000 1.066 157 V CB -0.479 31.152 31.823 -0.321 0.000 0.667 157 V HN 0.286 nan 8.190 nan 0.000 0.461 158 R N -0.144 120.188 120.500 -0.280 0.000 2.128 158 R HA 0.044 4.384 4.340 -0.000 0.000 0.211 158 R C 1.692 177.940 176.300 -0.087 0.000 1.067 158 R CA 0.918 56.804 56.100 -0.358 0.000 1.010 158 R CB -0.315 29.302 30.300 -1.137 0.000 0.922 158 R HN 0.463 nan 8.270 nan 0.000 0.457 159 D N -1.183 119.229 120.400 0.020 0.000 2.367 159 D HA 0.092 4.732 4.640 -0.000 0.000 0.207 159 D C 0.088 176.421 176.300 0.056 0.000 1.034 159 D CA 0.267 54.332 54.000 0.108 0.000 0.861 159 D CB 0.255 41.163 40.800 0.180 0.000 0.943 159 D HN 0.082 nan 8.370 nan 0.000 0.515 160 c N 0.731 119.333 118.600 0.003 0.000 2.354 160 c HA 0.474 5.044 4.570 -0.000 0.000 0.381 160 c C 0.737 174.801 174.090 -0.044 0.000 1.240 160 c CA -1.000 55.318 56.329 -0.018 0.000 2.089 160 c CB 1.346 43.830 42.510 -0.044 0.000 2.234 160 c HN 0.067 nan 8.230 nan 0.000 0.544 161 R N 1.078 121.544 120.500 -0.056 0.000 2.347 161 R HA 0.304 4.644 4.340 -0.000 0.000 0.304 161 R C -0.623 175.586 176.300 -0.152 0.000 1.072 161 R CA -0.482 55.564 56.100 -0.089 0.000 0.980 161 R CB 0.235 30.488 30.300 -0.078 0.000 0.986 161 R HN 0.473 nan 8.270 nan 0.000 0.448 162 L N 4.856 125.936 121.223 -0.237 0.000 2.485 162 L HA -0.013 4.326 4.340 -0.000 0.000 0.279 162 L C 0.338 177.060 176.870 -0.246 0.000 1.124 162 L CA 0.763 55.413 54.840 -0.317 0.000 0.888 162 L CB -0.001 41.732 42.059 -0.544 0.000 1.217 162 L HN 0.934 nan 8.230 nan 0.000 0.464 163 T N 1.663 116.118 114.554 -0.165 0.000 3.708 163 T HA -0.174 4.176 4.350 -0.000 0.000 0.375 163 T C 1.110 175.717 174.700 -0.155 0.000 0.763 163 T CA 1.138 63.150 62.100 -0.146 0.000 1.915 163 T CB -2.383 66.386 68.868 -0.164 0.000 1.783 163 T HN 2.319 nan 8.240 nan 0.000 0.734 164 G N -0.248 108.473 108.800 -0.131 0.000 2.199 164 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 164 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 164 G C 0.116 174.947 174.900 -0.115 0.000 0.982 164 G CA 0.018 45.052 45.100 -0.111 0.000 0.632 164 G HN 1.080 nan 8.290 nan 0.000 0.529 165 L N 1.620 122.743 121.223 -0.166 0.000 2.418 165 L HA 0.350 4.690 4.340 -0.000 0.000 0.274 165 L C 1.307 178.135 176.870 -0.069 0.000 1.135 165 L CA -0.631 54.112 54.840 -0.162 0.000 0.870 165 L CB 0.695 42.506 42.059 -0.414 0.000 1.154 165 L HN 0.103 nan 8.230 nan 0.000 0.462 166 L N 3.558 124.766 121.223 -0.025 0.000 2.660 166 L HA -0.078 4.262 4.340 -0.000 0.000 0.272 166 L C 0.238 177.221 176.870 0.188 0.000 1.194 166 L CA 0.298 55.123 54.840 -0.025 0.000 0.945 166 L CB -0.135 41.764 42.059 -0.265 0.000 1.212 166 L HN 0.575 nan 8.230 nan 0.000 0.490 167 D N 3.919 124.448 120.400 0.215 0.000 2.316 167 D HA 0.323 4.963 4.640 -0.000 0.000 0.245 167 D C -0.219 176.230 176.300 0.247 0.000 1.171 167 D CA -0.300 53.829 54.000 0.215 0.000 0.856 167 D CB 0.795 41.665 40.800 0.117 0.000 1.090 167 D HN 0.255 nan 8.370 nan 0.000 0.476 168 L N 2.503 123.762 121.223 0.060 0.000 2.453 168 L HA 0.268 4.607 4.340 -0.000 0.000 0.272 168 L C 0.692 177.490 176.870 -0.121 0.000 1.182 168 L CA -0.661 54.033 54.840 -0.244 0.000 0.858 168 L CB 0.826 42.683 42.059 -0.336 0.000 1.120 168 L HN 0.485 nan 8.230 nan 0.000 0.474 169 A N 5.262 127.976 122.820 -0.176 0.000 2.915 169 A HA 0.282 4.602 4.320 -0.000 0.000 0.292 169 A C 1.058 178.628 177.584 -0.024 0.000 1.632 169 A CA -0.340 51.674 52.037 -0.037 0.000 1.337 169 A CB -0.515 18.477 19.000 -0.014 0.000 1.111 169 A HN 0.834 nan 8.150 nan 0.000 0.569 170 L N 0.940 122.174 121.223 0.018 0.000 2.633 170 L HA -0.087 4.253 4.340 -0.000 0.000 0.235 170 L C 2.392 179.288 176.870 0.044 0.000 1.163 170 L CA 0.930 55.788 54.840 0.030 0.000 0.859 170 L CB -0.195 41.904 42.059 0.066 0.000 0.973 170 L HN 0.848 nan 8.230 nan 0.000 0.451 171 E N 0.889 121.116 120.200 0.045 0.000 2.447 171 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 171 E C 0.306 176.918 176.600 0.020 0.000 1.028 171 E CA 0.060 56.472 56.400 0.020 0.000 0.876 171 E CB 0.171 29.865 29.700 -0.009 0.000 0.885 171 E HN 0.334 nan 8.360 nan 0.000 0.500 172 K N 1.531 121.953 120.400 0.036 0.000 2.322 172 K HA 0.030 4.350 4.320 -0.000 0.000 0.283 172 K C 0.181 176.820 176.600 0.063 0.000 1.042 172 K CA 0.120 56.443 56.287 0.060 0.000 0.958 172 K CB 1.082 33.640 32.500 0.097 0.000 0.984 172 K HN -0.090 nan 8.250 nan 0.000 0.473 173 D N 1.877 122.317 120.400 0.066 0.000 2.178 173 D HA -0.221 4.419 4.640 -0.000 0.000 0.201 173 D C 1.442 177.790 176.300 0.079 0.000 0.980 173 D CA 1.284 55.317 54.000 0.055 0.000 0.842 173 D CB 0.086 40.915 40.800 0.049 0.000 0.948 173 D HN 0.609 nan 8.370 nan 0.000 0.472 174 Y N 0.353 120.669 120.300 0.027 0.000 2.145 174 Y HA -0.186 4.364 4.550 -0.000 0.000 0.286 174 Y C 2.072 178.022 175.900 0.084 0.000 1.145 174 Y CA 1.427 59.557 58.100 0.049 0.000 1.148 174 Y CB -0.542 37.955 38.460 0.061 0.000 0.981 174 Y HN -0.085 nan 8.280 nan 0.000 0.507 175 V N 0.872 120.797 119.914 0.019 0.000 2.343 175 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 175 V C 2.405 178.461 176.094 -0.063 0.000 1.051 175 V CA 2.253 64.546 62.300 -0.010 0.000 1.036 175 V CB -0.638 31.180 31.823 -0.008 0.000 0.654 175 V HN 0.335 nan 8.190 nan 0.000 0.451 176 R N -0.053 120.416 120.500 -0.051 0.000 2.096 176 R HA -0.131 4.208 4.340 -0.000 0.000 0.235 176 R C 2.563 178.801 176.300 -0.102 0.000 1.127 176 R CA 1.718 57.781 56.100 -0.062 0.000 0.968 176 R CB -0.441 29.838 30.300 -0.035 0.000 0.861 176 R HN 0.442 nan 8.270 nan 0.000 0.440 177 S N 0.436 116.061 115.700 -0.124 0.000 2.387 177 S HA -0.037 4.433 4.470 -0.000 0.000 0.226 177 S C 1.639 176.120 174.600 -0.197 0.000 1.026 177 S CA 0.894 59.009 58.200 -0.141 0.000 0.972 177 S CB 0.076 63.209 63.200 -0.112 0.000 0.814 177 S HN 0.168 nan 8.310 nan 0.000 0.477 178 K N 1.426 121.654 120.400 -0.287 0.000 2.097 178 K HA 0.136 4.456 4.320 -0.000 0.000 0.205 178 K C 1.846 178.309 176.600 -0.229 0.000 1.050 178 K CA 0.822 56.947 56.287 -0.270 0.000 0.938 178 K CB -0.555 31.738 32.500 -0.345 0.000 0.718 178 K HN 0.405 nan 8.250 nan 0.000 0.442 179 I N 0.738 121.186 120.570 -0.202 0.000 2.286 179 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 179 I C 2.283 178.247 176.117 -0.255 0.000 1.104 179 I CA 0.926 62.061 61.300 -0.276 0.000 1.397 179 I CB -0.278 37.620 38.000 -0.169 0.000 1.072 179 I HN 0.009 nan 8.210 nan 0.000 0.417 180 A N 0.211 122.904 122.820 -0.211 0.000 1.969 180 A HA -0.233 4.086 4.320 -0.000 0.000 0.218 180 A C 2.280 179.734 177.584 -0.216 0.000 1.169 180 A CA 1.597 53.501 52.037 -0.222 0.000 0.635 180 A CB -0.543 18.356 19.000 -0.168 0.000 0.810 180 A HN 0.492 nan 8.150 nan 0.000 0.445 181 E N -1.283 118.815 120.200 -0.169 0.000 2.077 181 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 181 E C 1.834 178.383 176.600 -0.086 0.000 0.989 181 E CA 1.625 57.955 56.400 -0.118 0.000 0.800 181 E CB -0.364 29.279 29.700 -0.095 0.000 0.746 181 E HN 0.706 nan 8.360 nan 0.000 0.452 182 Y N 0.903 121.029 120.300 -0.291 0.000 2.114 182 Y HA -0.163 4.387 4.550 -0.000 0.000 0.284 182 Y C 2.082 177.870 175.900 -0.185 0.000 1.143 182 Y CA 1.979 59.907 58.100 -0.287 0.000 1.135 182 Y CB -0.384 37.683 38.460 -0.655 0.000 0.980 182 Y HN 0.023 nan 8.280 nan 0.000 0.499 183 M N 0.177 119.461 119.600 -0.526 0.000 2.159 183 M HA -0.214 4.266 4.480 -0.000 0.000 0.263 183 M C 1.705 177.837 176.300 -0.281 0.000 1.063 183 M CA 1.564 56.500 55.300 -0.607 0.000 1.110 183 M CB -0.384 31.752 32.600 -0.774 0.000 1.374 183 M HN 0.242 nan 8.290 nan 0.000 0.411 184 N N -0.450 118.082 118.700 -0.279 0.000 2.309 184 N HA -0.162 4.578 4.740 -0.000 0.000 0.182 184 N C 1.555 177.000 175.510 -0.107 0.000 1.018 184 N CA 1.170 54.027 53.050 -0.321 0.000 0.876 184 N CB -0.489 37.614 38.487 -0.641 0.000 0.972 184 N HN 0.439 nan 8.380 nan 0.000 0.434 185 H N 1.011 120.001 119.070 -0.133 0.000 2.353 185 H HA 0.076 4.632 4.556 -0.000 0.000 0.300 185 H C 2.012 177.337 175.328 -0.006 0.000 1.090 185 H CA 1.375 57.401 56.048 -0.036 0.000 1.327 185 H CB -0.291 29.462 29.762 -0.014 0.000 1.383 185 H HN 0.083 nan 8.280 nan 0.000 0.508 186 L N -0.411 120.752 121.223 -0.099 0.000 2.056 186 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 186 L C 2.554 179.399 176.870 -0.042 0.000 1.078 186 L CA 1.223 56.018 54.840 -0.074 0.000 0.749 186 L CB -0.392 41.651 42.059 -0.026 0.000 0.901 186 L HN 0.317 nan 8.230 nan 0.000 0.433 187 I N 0.071 120.645 120.570 0.008 0.000 2.179 187 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 187 I C 2.016 178.148 176.117 0.024 0.000 1.088 187 I CA 1.324 62.622 61.300 -0.003 0.000 1.357 187 I CB -0.418 37.603 38.000 0.035 0.000 1.051 187 I HN 0.282 nan 8.210 nan 0.000 0.409 188 D N 0.766 121.196 120.400 0.051 0.000 2.263 188 D HA -0.106 4.534 4.640 -0.000 0.000 0.208 188 D C 2.154 178.496 176.300 0.070 0.000 0.971 188 D CA 1.124 55.179 54.000 0.092 0.000 0.867 188 D CB -0.109 40.764 40.800 0.122 0.000 0.929 188 D HN 0.384 nan 8.370 nan 0.000 0.492 189 I N -0.486 120.077 120.570 -0.012 0.000 2.546 189 I HA -0.055 4.115 4.170 -0.000 0.000 0.255 189 I C 1.700 177.879 176.117 0.102 0.000 1.163 189 I CA 1.134 62.435 61.300 0.002 0.000 1.457 189 I CB 0.202 38.153 38.000 -0.081 0.000 1.092 189 I HN 0.167 nan 8.210 nan 0.000 0.434 190 G N 0.419 109.259 108.800 0.067 0.000 2.370 190 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.174 190 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.174 190 G C 0.349 175.168 174.900 -0.136 0.000 1.002 190 G CA -0.044 45.094 45.100 0.063 0.000 0.730 190 G HN 0.194 nan 8.290 nan 0.000 0.497 191 V N -0.324 119.458 119.914 -0.220 0.000 2.872 191 V HA 0.696 4.816 4.120 -0.000 0.000 0.307 191 V C 1.296 177.127 176.094 -0.438 0.000 1.072 191 V CA 1.015 63.093 62.300 -0.370 0.000 1.148 191 V CB 1.447 33.019 31.823 -0.418 0.000 0.954 191 V HN 1.340 nan 8.190 nan 0.000 0.490 192 A N 2.867 125.366 122.820 -0.535 0.000 2.220 192 A HA 0.757 5.077 4.320 -0.000 0.000 0.211 192 A C 1.159 178.576 177.584 -0.278 0.000 1.176 192 A CA 0.667 52.402 52.037 -0.503 0.000 0.834 192 A CB -0.472 18.288 19.000 -0.400 0.000 0.868 192 A HN 2.060 nan 8.150 nan 0.000 0.488 193 G N -1.958 106.622 108.800 -0.367 0.000 2.342 193 G HA2 0.488 4.448 3.960 -0.000 0.000 0.297 193 G HA3 0.488 4.448 3.960 -0.000 0.000 0.297 193 G C -1.601 172.983 174.900 -0.527 0.000 1.313 193 G CA -0.697 44.338 45.100 -0.110 0.000 0.830 193 G HN 0.182 nan 8.290 nan 0.000 0.506 194 F N -0.493 119.466 119.950 0.015 0.000 2.601 194 F HA 0.693 5.219 4.527 -0.000 0.000 0.309 194 F C 0.222 175.658 175.800 -0.607 0.000 1.089 194 F CA -0.876 57.015 58.000 -0.182 0.000 0.940 194 F CB 2.558 41.450 39.000 -0.181 0.000 1.273 194 F HN 0.485 nan 8.300 nan 0.000 0.450 195 R N 3.164 123.380 120.500 -0.472 0.000 2.229 195 R HA 0.553 4.893 4.340 -0.000 0.000 0.332 195 R C -1.606 174.522 176.300 -0.287 0.000 0.989 195 R CA -0.415 55.157 56.100 -0.879 0.000 0.842 195 R CB 0.534 30.489 30.300 -0.575 0.000 1.119 195 R HN 0.804 nan 8.270 nan 0.000 0.456 196 L N 4.743 125.819 121.223 -0.244 0.000 2.312 196 L HA 0.168 4.508 4.340 -0.000 0.000 0.287 196 L C 0.110 176.968 176.870 -0.020 0.000 1.091 196 L CA -0.548 54.236 54.840 -0.093 0.000 0.846 196 L CB 0.762 42.770 42.059 -0.086 0.000 1.219 196 L HN 0.665 nan 8.230 nan 0.000 0.439 197 D N 3.609 124.043 120.400 0.057 0.000 2.443 197 D HA 0.248 4.888 4.640 -0.000 0.000 0.239 197 D C 0.914 177.294 176.300 0.133 0.000 1.136 197 D CA 0.664 54.747 54.000 0.139 0.000 0.879 197 D CB 0.912 41.870 40.800 0.264 0.000 1.195 197 D HN 0.724 nan 8.370 nan 0.000 0.443 198 A N 2.787 125.702 122.820 0.159 0.000 2.745 198 A HA -0.239 4.081 4.320 -0.000 0.000 0.296 198 A C 1.812 179.469 177.584 0.122 0.000 1.500 198 A CA 1.168 53.339 52.037 0.223 0.000 0.766 198 A CB -2.107 17.097 19.000 0.340 0.000 1.030 198 A HN 0.453 nan 8.150 nan 0.000 0.489 199 S N -0.597 115.093 115.700 -0.016 0.000 2.419 199 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 199 S C 1.822 176.286 174.600 -0.226 0.000 1.016 199 S CA 1.485 59.614 58.200 -0.119 0.000 0.974 199 S CB -0.141 62.910 63.200 -0.247 0.000 0.786 199 S HN 0.880 nan 8.310 nan 0.000 0.492 200 K N 0.908 121.117 120.400 -0.317 0.000 2.209 200 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 200 K C 1.011 177.391 176.600 -0.367 0.000 1.048 200 K CA 1.216 57.280 56.287 -0.371 0.000 0.940 200 K CB -0.144 32.078 32.500 -0.464 0.000 0.729 200 K HN 0.458 nan 8.250 nan 0.000 0.451 201 H N -0.298 118.747 119.070 -0.042 0.000 2.536 201 H HA 0.184 4.740 4.556 -0.000 0.000 0.276 201 H C 0.024 175.293 175.328 -0.099 0.000 1.019 201 H CA 0.358 56.359 56.048 -0.078 0.000 1.159 201 H CB -0.015 29.733 29.762 -0.022 0.000 1.373 201 H HN 0.194 nan 8.280 nan 0.000 0.584 202 M N -0.388 119.212 119.600 0.000 0.000 2.530 202 M HA 0.202 4.682 4.480 -0.000 0.000 0.307 202 M C -1.016 175.288 176.300 0.006 0.000 1.161 202 M CA -0.851 54.463 55.300 0.024 0.000 0.903 202 M CB 2.398 35.069 32.600 0.119 0.000 1.711 202 M HN -0.007 nan 8.290 nan 0.000 0.451 203 W N 2.107 123.456 121.300 0.082 0.000 2.216 203 W HA 0.243 4.902 4.660 -0.000 0.000 0.326 203 W C -1.786 174.720 176.519 -0.022 0.000 1.319 203 W CA -0.945 56.407 57.345 0.012 0.000 1.213 203 W CB -0.157 29.297 29.460 -0.011 0.000 1.171 203 W HN 0.483 nan 8.180 nan 0.000 0.557 204 P HA -0.213 nan 4.420 nan 0.000 0.216 204 P C 1.717 179.040 177.300 0.039 0.000 1.150 204 P CA 2.487 65.518 63.100 -0.115 0.000 0.843 204 P CB 0.097 31.578 31.700 -0.365 0.000 0.787 205 G N -0.626 108.222 108.800 0.079 0.000 2.422 205 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 205 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 205 G C 1.243 176.179 174.900 0.061 0.000 1.140 205 G CA 0.734 45.862 45.100 0.047 0.000 0.775 205 G HN 0.187 nan 8.290 nan 0.000 0.545 206 D N 0.580 121.054 120.400 0.123 0.000 2.149 206 D HA -0.023 4.617 4.640 -0.000 0.000 0.201 206 D C 2.576 178.920 176.300 0.072 0.000 0.972 206 D CA 0.294 54.355 54.000 0.101 0.000 0.835 206 D CB -0.066 40.835 40.800 0.168 0.000 0.966 206 D HN 0.341 nan 8.370 nan 0.000 0.476 207 I N 0.757 121.384 120.570 0.095 0.000 2.163 207 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 207 I C 2.362 178.496 176.117 0.029 0.000 1.085 207 I CA 1.015 62.354 61.300 0.065 0.000 1.347 207 I CB -0.121 37.950 38.000 0.118 0.000 1.044 207 I HN -0.085 nan 8.210 nan 0.000 0.408 208 K N 1.540 121.963 120.400 0.038 0.000 2.063 208 K HA -0.175 4.144 4.320 -0.000 0.000 0.208 208 K C 2.041 178.642 176.600 0.002 0.000 1.048 208 K CA 1.766 58.065 56.287 0.019 0.000 0.928 208 K CB -0.380 32.134 32.500 0.025 0.000 0.713 208 K HN 0.309 nan 8.250 nan 0.000 0.442 209 A N 0.377 123.199 122.820 0.004 0.000 1.933 209 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 209 A C 2.196 179.766 177.584 -0.023 0.000 1.175 209 A CA 1.679 53.712 52.037 -0.007 0.000 0.628 209 A CB -0.589 18.410 19.000 -0.003 0.000 0.814 209 A HN 0.363 nan 8.150 nan 0.000 0.444 210 I N -0.478 120.073 120.570 -0.032 0.000 2.286 210 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 210 I C 2.232 178.299 176.117 -0.083 0.000 1.104 210 I CA 0.792 62.052 61.300 -0.067 0.000 1.397 210 I CB -0.294 37.656 38.000 -0.084 0.000 1.072 210 I HN 0.268 nan 8.210 nan 0.000 0.417 211 L N 0.358 121.540 121.223 -0.068 0.000 2.127 211 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 211 L C 1.903 178.745 176.870 -0.047 0.000 1.089 211 L CA 1.160 55.959 54.840 -0.069 0.000 0.757 211 L CB -0.755 41.273 42.059 -0.051 0.000 0.899 211 L HN 0.284 nan 8.230 nan 0.000 0.434 212 D N 0.370 120.752 120.400 -0.030 0.000 2.309 212 D HA -0.135 4.505 4.640 -0.000 0.000 0.212 212 D C 1.874 178.167 176.300 -0.012 0.000 0.968 212 D CA 1.072 55.063 54.000 -0.015 0.000 0.882 212 D CB 0.053 40.848 40.800 -0.008 0.000 0.918 212 D HN 0.355 nan 8.370 nan 0.000 0.503 213 K N -0.282 120.099 120.400 -0.032 0.000 2.393 213 K HA 0.057 4.377 4.320 -0.000 0.000 0.193 213 K C 0.125 176.701 176.600 -0.040 0.000 1.026 213 K CA -0.311 55.959 56.287 -0.030 0.000 1.064 213 K CB 0.583 33.048 32.500 -0.057 0.000 0.833 213 K HN -0.038 nan 8.250 nan 0.000 0.521 214 L N 1.489 122.679 121.223 -0.054 0.000 2.397 214 L HA 0.113 4.452 4.340 -0.000 0.000 0.271 214 L C 0.506 177.412 176.870 0.061 0.000 1.148 214 L CA 0.148 54.946 54.840 -0.070 0.000 0.825 214 L CB 0.284 42.298 42.059 -0.075 0.000 1.117 214 L HN 0.146 nan 8.230 nan 0.000 0.456 215 H N 1.187 120.245 119.070 -0.019 0.000 2.581 215 H HA 0.195 4.751 4.556 -0.000 0.000 0.369 215 H C -0.021 175.295 175.328 -0.019 0.000 1.351 215 H CA -0.651 55.389 56.048 -0.013 0.000 1.434 215 H CB 0.681 30.440 29.762 -0.006 0.000 1.558 215 H HN 0.599 nan 8.280 nan 0.000 0.608 216 N N -0.036 118.734 118.700 0.117 0.000 2.445 216 N HA 0.146 4.886 4.740 -0.000 0.000 0.264 216 N C -0.409 175.110 175.510 0.016 0.000 1.227 216 N CA -0.664 52.408 53.050 0.035 0.000 0.963 216 N CB 0.851 39.349 38.487 0.018 0.000 1.188 216 N HN 0.194 nan 8.380 nan 0.000 0.491 217 L N 1.048 122.223 121.223 -0.081 0.000 2.482 217 L HA 0.012 4.352 4.340 -0.000 0.000 0.273 217 L C 0.756 177.641 176.870 0.025 0.000 1.228 217 L CA -0.079 54.644 54.840 -0.195 0.000 0.827 217 L CB -0.046 41.595 42.059 -0.697 0.000 1.099 217 L HN 0.592 nan 8.230 nan 0.000 0.494 218 N N 0.162 118.949 118.700 0.145 0.000 2.386 218 N HA -0.094 4.646 4.740 -0.000 0.000 0.273 218 N C 1.073 176.776 175.510 0.322 0.000 1.331 218 N CA 0.209 53.424 53.050 0.274 0.000 0.891 218 N CB 0.587 39.328 38.487 0.423 0.000 1.139 218 N HN 0.622 nan 8.380 nan 0.000 0.487 219 S N 2.419 118.208 115.700 0.148 0.000 2.584 219 S HA -0.071 4.399 4.470 -0.000 0.000 0.240 219 S C 1.155 175.766 174.600 0.018 0.000 0.975 219 S CA 0.322 58.582 58.200 0.100 0.000 0.949 219 S CB -0.076 63.146 63.200 0.036 0.000 0.761 219 S HN 0.617 nan 8.310 nan 0.000 0.536 220 N N 0.043 118.704 118.700 -0.065 0.000 2.416 220 N HA 0.056 4.796 4.740 -0.000 0.000 0.177 220 N C 0.629 175.918 175.510 -0.369 0.000 1.036 220 N CA 0.857 53.716 53.050 -0.318 0.000 0.901 220 N CB -0.022 38.093 38.487 -0.620 0.000 0.976 220 N HN 0.612 nan 8.380 nan 0.000 0.444 221 W N -0.476 120.793 121.300 -0.051 0.000 2.873 221 W HA 0.290 4.950 4.660 -0.000 0.000 0.282 221 W C -0.253 175.966 176.519 -0.500 0.000 1.118 221 W CA -0.157 56.999 57.345 -0.315 0.000 1.480 221 W CB 0.183 29.337 29.460 -0.512 0.000 0.954 221 W HN -0.186 nan 8.180 nan 0.000 0.591 222 F N 1.744 121.799 119.950 0.177 0.000 2.561 222 F HA 0.480 5.007 4.527 -0.000 0.000 0.321 222 F C -1.758 174.072 175.800 0.049 0.000 1.065 222 F CA -2.919 55.136 58.000 0.093 0.000 0.934 222 F CB 0.134 39.179 39.000 0.075 0.000 1.215 222 F HN -0.419 nan 8.300 nan 0.000 0.471 223 P HA 0.155 nan 4.420 nan 0.000 0.269 223 P C -0.736 176.630 177.300 0.110 0.000 1.209 223 P CA -0.247 62.924 63.100 0.118 0.000 0.776 223 P CB 0.696 32.449 31.700 0.088 0.000 0.876 224 A N 2.061 124.922 122.820 0.068 0.000 2.565 224 A HA 0.375 4.695 4.320 -0.000 0.000 0.237 224 A C 1.511 179.121 177.584 0.044 0.000 1.053 224 A CA 0.837 52.904 52.037 0.049 0.000 0.755 224 A CB -1.408 17.609 19.000 0.028 0.000 0.980 224 A HN 0.950 nan 8.150 nan 0.000 0.506 225 G N 1.417 110.237 108.800 0.034 0.000 2.176 225 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.253 225 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.253 225 G C 0.411 175.326 174.900 0.026 0.000 0.979 225 G CA 0.321 45.437 45.100 0.026 0.000 0.641 225 G HN 1.234 nan 8.290 nan 0.000 0.530 226 S N 1.272 116.990 115.700 0.031 0.000 2.510 226 S HA 0.436 4.906 4.470 -0.000 0.000 0.279 226 S C 0.510 175.090 174.600 -0.034 0.000 1.284 226 S CA 0.038 58.245 58.200 0.010 0.000 1.059 226 S CB 1.081 64.298 63.200 0.028 0.000 0.901 226 S HN 0.436 nan 8.310 nan 0.000 0.491 227 K N 3.976 124.360 120.400 -0.027 0.000 2.110 227 K HA 0.385 4.705 4.320 -0.000 0.000 0.263 227 K C -2.440 174.138 176.600 -0.038 0.000 0.975 227 K CA -2.197 54.072 56.287 -0.030 0.000 0.895 227 K CB 0.750 33.237 32.500 -0.022 0.000 1.060 227 K HN 0.345 nan 8.250 nan 0.000 0.448 228 P HA -0.070 nan 4.420 nan 0.000 0.268 228 P C -0.640 176.730 177.300 0.116 0.000 1.205 228 P CA -0.153 62.956 63.100 0.014 0.000 0.771 228 P CB 0.353 32.104 31.700 0.085 0.000 0.858 229 F N 4.413 124.363 119.950 -0.000 0.000 2.504 229 F HA 0.247 4.774 4.527 -0.000 0.000 0.369 229 F C -0.225 175.631 175.800 0.094 0.000 1.082 229 F CA -0.639 57.376 58.000 0.026 0.000 1.216 229 F CB -0.049 38.991 39.000 0.067 0.000 1.108 229 F HN 0.104 nan 8.300 nan 0.000 0.554 230 I N 8.712 129.092 120.570 -0.317 0.000 2.418 230 I HA 0.194 4.364 4.170 -0.000 0.000 0.287 230 I C -1.172 174.687 176.117 -0.429 0.000 1.008 230 I CA -0.780 60.333 61.300 -0.312 0.000 1.104 230 I CB 1.067 38.977 38.000 -0.150 0.000 1.264 230 I HN 0.546 nan 8.210 nan 0.000 0.438 231 Y N 3.181 123.166 120.300 -0.524 0.000 2.338 231 Y HA 0.684 5.233 4.550 -0.000 0.000 0.333 231 Y C -0.368 175.439 175.900 -0.155 0.000 0.968 231 Y CA -1.321 56.554 58.100 -0.376 0.000 1.123 231 Y CB 0.840 39.031 38.460 -0.449 0.000 1.165 231 Y HN 0.486 nan 8.280 nan 0.000 0.452 232 Q N 2.960 122.769 119.800 0.014 0.000 2.294 232 Q HA 0.142 4.482 4.340 -0.000 0.000 0.257 232 Q C -0.478 175.530 176.000 0.013 0.000 0.955 232 Q CA -0.411 55.374 55.803 -0.029 0.000 0.936 232 Q CB 1.087 29.804 28.738 -0.034 0.000 1.188 232 Q HN 0.793 nan 8.270 nan 0.000 0.420 233 E N 3.279 123.487 120.200 0.014 0.000 2.104 233 E HA 0.195 4.545 4.350 -0.000 0.000 0.278 233 E C -1.342 175.275 176.600 0.028 0.000 1.127 233 E CA -0.237 56.236 56.400 0.122 0.000 0.897 233 E CB 0.440 30.230 29.700 0.149 0.000 1.043 233 E HN 0.275 nan 8.360 nan 0.000 0.410 234 V N 7.113 127.069 119.914 0.070 0.000 2.482 234 V HA 0.271 4.391 4.120 -0.000 0.000 0.295 234 V C -0.015 176.113 176.094 0.057 0.000 1.026 234 V CA -0.675 61.579 62.300 -0.077 0.000 0.856 234 V CB 1.574 33.250 31.823 -0.244 0.000 1.001 234 V HN 0.670 nan 8.190 nan 0.000 0.424 235 I N 4.156 124.656 120.570 -0.116 0.000 2.294 235 I HA 0.306 4.476 4.170 -0.000 0.000 0.295 235 I C -0.429 175.633 176.117 -0.092 0.000 1.098 235 I CA 0.234 61.393 61.300 -0.234 0.000 1.277 235 I CB 0.589 38.284 38.000 -0.508 0.000 1.434 235 I HN 0.578 nan 8.210 nan 0.000 0.498 236 D N 7.820 128.233 120.400 0.022 0.000 2.454 236 D HA 0.475 5.115 4.640 -0.000 0.000 0.247 236 D C -0.336 175.994 176.300 0.051 0.000 1.129 236 D CA -0.256 53.761 54.000 0.028 0.000 0.877 236 D CB 0.963 41.796 40.800 0.054 0.000 1.082 236 D HN 0.286 nan 8.370 nan 0.000 0.537 237 L N 1.581 122.819 121.223 0.024 0.000 2.731 237 L HA 0.696 5.036 4.340 -0.000 0.000 0.199 237 L C 1.630 178.524 176.870 0.041 0.000 1.976 237 L CA -1.209 53.657 54.840 0.043 0.000 2.802 237 L CB -0.448 41.625 42.059 0.024 0.000 2.882 237 L HN 0.351 nan 8.230 nan 0.000 0.651 238 G N -0.965 107.855 108.800 0.034 0.000 2.684 238 G HA2 0.325 4.285 3.960 -0.000 0.000 0.255 238 G HA3 0.325 4.285 3.960 -0.000 0.000 0.255 238 G C 0.273 175.184 174.900 0.018 0.000 1.219 238 G CA 0.007 45.124 45.100 0.028 0.000 0.901 238 G HN 0.768 nan 8.290 nan 0.000 0.548 239 G N -0.452 108.357 108.800 0.016 0.000 2.816 239 G HA2 0.051 4.011 3.960 -0.000 0.000 0.341 239 G HA3 0.051 4.011 3.960 -0.000 0.000 0.341 239 G C 0.072 174.982 174.900 0.017 0.000 0.171 239 G CA 1.059 46.168 45.100 0.014 0.000 1.218 239 G HN 0.685 nan 8.290 nan 0.000 0.433 240 E N 2.564 122.777 120.200 0.021 0.000 2.366 240 E HA 0.290 4.639 4.350 -0.000 0.000 0.278 240 E C -1.498 175.118 176.600 0.027 0.000 0.923 240 E CA -1.842 54.576 56.400 0.030 0.000 0.761 240 E CB 2.339 32.059 29.700 0.033 0.000 1.231 240 E HN 0.241 nan 8.360 nan 0.000 0.443 241 P HA -0.058 nan 4.420 nan 0.000 0.220 241 P C 0.369 177.678 177.300 0.015 0.000 1.148 241 P CA 0.981 64.093 63.100 0.020 0.000 0.803 241 P CB 0.481 32.194 31.700 0.021 0.000 0.782 242 I N 0.502 121.083 120.570 0.018 0.000 2.395 242 I HA 0.143 4.313 4.170 -0.000 0.000 0.289 242 I C 0.617 176.758 176.117 0.041 0.000 1.023 242 I CA -0.386 60.929 61.300 0.025 0.000 1.350 242 I CB 0.792 38.804 38.000 0.021 0.000 1.409 242 I HN -0.207 nan 8.210 nan 0.000 0.507 243 K N 3.539 123.966 120.400 0.044 0.000 2.259 243 K HA 0.295 4.614 4.320 -0.000 0.000 0.249 243 K C 0.817 177.458 176.600 0.070 0.000 0.942 243 K CA -0.565 55.738 56.287 0.027 0.000 0.816 243 K CB 1.905 34.389 32.500 -0.025 0.000 1.155 243 K HN 0.641 nan 8.250 nan 0.000 0.428 244 S N -0.185 115.545 115.700 0.051 0.000 2.447 244 S HA -0.185 4.285 4.470 -0.000 0.000 0.233 244 S C 1.779 176.293 174.600 -0.143 0.000 1.006 244 S CA 1.415 59.668 58.200 0.088 0.000 0.957 244 S CB -0.410 62.862 63.200 0.120 0.000 0.773 244 S HN 0.659 nan 8.310 nan 0.000 0.507 245 S N 2.083 117.495 115.700 -0.480 0.000 2.447 245 S HA -0.117 4.353 4.470 -0.000 0.000 0.233 245 S C 1.188 175.338 174.600 -0.750 0.000 1.006 245 S CA 0.964 58.373 58.200 -1.319 0.000 0.957 245 S CB -0.592 62.147 63.200 -0.770 0.000 0.773 245 S HN 0.430 nan 8.310 nan 0.000 0.507 246 D N 0.688 120.904 120.400 -0.306 0.000 2.309 246 D HA -0.044 4.596 4.640 -0.000 0.000 0.212 246 D C 0.559 176.660 176.300 -0.331 0.000 0.968 246 D CA 0.951 54.783 54.000 -0.281 0.000 0.882 246 D CB -0.270 40.341 40.800 -0.315 0.000 0.918 246 D HN 0.633 nan 8.370 nan 0.000 0.503 247 Y N -1.074 119.169 120.300 -0.096 0.000 2.458 247 Y HA 0.125 4.674 4.550 -0.000 0.000 0.256 247 Y C 1.480 177.533 175.900 0.255 0.000 1.159 247 Y CA -0.475 57.666 58.100 0.069 0.000 1.261 247 Y CB -0.043 38.466 38.460 0.081 0.000 1.119 247 Y HN -0.176 nan 8.280 nan 0.000 0.524 248 F N 0.040 120.115 119.950 0.208 0.000 2.202 248 F HA -0.108 4.419 4.527 -0.000 0.000 0.301 248 F C 2.310 178.265 175.800 0.258 0.000 1.082 248 F CA 1.095 59.215 58.000 0.202 0.000 1.313 248 F CB -1.253 37.813 39.000 0.110 0.000 1.024 248 F HN 0.122 nan 8.300 nan 0.000 0.495 249 G N -0.783 108.237 108.800 0.367 0.000 2.679 249 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.212 249 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.212 249 G C 1.475 176.513 174.900 0.230 0.000 1.137 249 G CA 0.423 45.694 45.100 0.284 0.000 0.787 249 G HN 0.269 nan 8.290 nan 0.000 0.534 250 N N 0.054 118.891 118.700 0.228 0.000 2.348 250 N HA 0.245 4.985 4.740 -0.000 0.000 0.183 250 N C 1.090 176.604 175.510 0.007 0.000 1.094 250 N CA 0.976 54.090 53.050 0.108 0.000 0.885 250 N CB 1.375 39.945 38.487 0.139 0.000 1.065 250 N HN 0.418 nan 8.380 nan 0.000 0.472 251 G N -0.121 108.766 108.800 0.144 0.000 2.351 251 G HA2 0.113 4.073 3.960 -0.000 0.000 0.279 251 G HA3 0.113 4.073 3.960 -0.000 0.000 0.279 251 G C -1.302 173.794 174.900 0.327 0.000 1.297 251 G CA -0.893 44.220 45.100 0.023 0.000 0.886 251 G HN -0.044 nan 8.290 nan 0.000 0.493 252 R N -1.012 119.609 120.500 0.202 0.000 2.652 252 R HA 0.629 4.969 4.340 -0.000 0.000 0.271 252 R C 0.056 176.463 176.300 0.178 0.000 1.129 252 R CA 0.027 56.237 56.100 0.184 0.000 1.200 252 R CB 1.216 31.585 30.300 0.115 0.000 1.146 252 R HN 1.062 nan 8.270 nan 0.000 0.581 253 V N -2.771 117.258 119.914 0.191 0.000 2.962 253 V HA 0.436 4.556 4.120 -0.000 0.000 0.313 253 V C -0.037 176.161 176.094 0.173 0.000 1.099 253 V CA -1.118 61.301 62.300 0.197 0.000 0.971 253 V CB 1.818 33.802 31.823 0.268 0.000 1.028 253 V HN 0.917 nan 8.190 nan 0.000 0.430 254 T N -0.246 114.425 114.554 0.195 0.000 2.834 254 T HA 0.438 4.788 4.350 -0.000 0.000 0.298 254 T C -0.108 174.683 174.700 0.152 0.000 0.966 254 T CA 0.012 62.234 62.100 0.203 0.000 1.141 254 T CB 0.964 69.977 68.868 0.241 0.000 0.905 254 T HN 1.017 nan 8.240 nan 0.000 0.535 255 E N 2.545 122.736 120.200 -0.016 0.000 1.998 255 E HA 0.308 4.658 4.350 -0.000 0.000 0.257 255 E C -0.342 176.062 176.600 -0.326 0.000 1.038 255 E CA -1.137 55.198 56.400 -0.108 0.000 0.869 255 E CB -0.595 29.023 29.700 -0.136 0.000 1.135 255 E HN 0.674 nan 8.360 nan 0.000 0.430 256 F N 2.372 122.248 119.950 -0.123 0.000 2.451 256 F HA -0.009 4.518 4.527 0.000 0.000 0.299 256 F C 1.702 177.376 175.800 -0.208 0.000 1.101 256 F CA 0.813 58.727 58.000 -0.144 0.000 1.436 256 F CB 0.178 39.189 39.000 0.019 0.000 1.074 256 F HN 0.374 nan 8.300 nan 0.000 0.553 257 K N -1.038 119.289 120.400 -0.122 0.000 2.211 257 K HA -0.205 4.114 4.320 -0.000 0.000 0.203 257 K C 1.748 178.093 176.600 -0.426 0.000 1.050 257 K CA 1.073 57.245 56.287 -0.191 0.000 0.945 257 K CB -0.392 32.006 32.500 -0.170 0.000 0.732 257 K HN 0.252 nan 8.250 nan 0.000 0.451 258 Y N 1.450 121.226 120.300 -0.874 0.000 2.049 258 Y HA -0.241 4.309 4.550 -0.000 0.000 0.277 258 Y C 2.438 178.174 175.900 -0.274 0.000 1.143 258 Y CA 2.071 59.701 58.100 -0.784 0.000 1.115 258 Y CB -0.799 37.216 38.460 -0.742 0.000 0.975 258 Y HN 0.046 nan 8.280 nan 0.000 0.487 259 G N -0.637 108.100 108.800 -0.104 0.000 2.432 259 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 259 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 259 G C 1.765 176.632 174.900 -0.055 0.000 1.135 259 G CA 0.944 46.003 45.100 -0.068 0.000 0.767 259 G HN 0.645 nan 8.290 nan 0.000 0.550 260 A N 0.834 123.635 122.820 -0.032 0.000 1.877 260 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 260 A C 2.375 179.963 177.584 0.007 0.000 1.186 260 A CA 1.898 53.942 52.037 0.012 0.000 0.620 260 A CB -0.243 18.794 19.000 0.062 0.000 0.822 260 A HN 0.202 nan 8.150 nan 0.000 0.443 261 K N -0.744 119.696 120.400 0.067 0.000 2.155 261 K HA 0.037 4.357 4.320 -0.000 0.000 0.203 261 K C 1.773 178.342 176.600 -0.052 0.000 1.052 261 K CA 0.673 57.050 56.287 0.150 0.000 0.948 261 K CB -0.750 32.009 32.500 0.431 0.000 0.728 261 K HN 0.410 nan 8.250 nan 0.000 0.448 262 L N 0.861 121.980 121.223 -0.173 0.000 2.093 262 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 262 L C 1.993 178.637 176.870 -0.377 0.000 1.085 262 L CA 1.836 56.384 54.840 -0.487 0.000 0.755 262 L CB -0.980 40.777 42.059 -0.504 0.000 0.904 262 L HN 0.211 nan 8.230 nan 0.000 0.435 263 G N -1.651 106.991 108.800 -0.263 0.000 2.404 263 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.215 263 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.215 263 G C 1.522 176.156 174.900 -0.444 0.000 1.174 263 G CA 1.285 46.198 45.100 -0.312 0.000 0.780 263 G HN 0.490 nan 8.290 nan 0.000 0.537 264 T N -0.915 113.426 114.554 -0.355 0.000 2.867 264 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 264 T C 2.273 176.856 174.700 -0.194 0.000 1.057 264 T CA 1.348 63.254 62.100 -0.323 0.000 1.136 264 T CB -0.327 68.549 68.868 0.014 0.000 0.874 264 T HN 0.007 nan 8.240 nan 0.000 0.466 265 V N 1.373 121.173 119.914 -0.190 0.000 2.307 265 V HA 0.001 4.121 4.120 -0.000 0.000 0.245 265 V C 2.680 178.604 176.094 -0.284 0.000 1.045 265 V CA 1.480 63.660 62.300 -0.199 0.000 1.024 265 V CB -0.507 31.123 31.823 -0.321 0.000 0.651 265 V HN 0.497 nan 8.190 nan 0.000 0.449 266 I N -0.558 119.793 120.570 -0.364 0.000 2.546 266 I HA -0.148 4.022 4.170 -0.000 0.000 0.255 266 I C 2.473 178.436 176.117 -0.257 0.000 1.163 266 I CA 1.203 62.300 61.300 -0.339 0.000 1.457 266 I CB -0.292 37.490 38.000 -0.363 0.000 1.092 266 I HN 0.206 nan 8.210 nan 0.000 0.434 267 R N 1.007 121.322 120.500 -0.309 0.000 2.299 267 R HA 0.038 4.378 4.340 -0.000 0.000 0.197 267 R C 0.225 176.490 176.300 -0.059 0.000 0.971 267 R CA 0.110 56.049 56.100 -0.268 0.000 1.030 267 R CB 0.067 29.953 30.300 -0.691 0.000 0.932 267 R HN 0.169 nan 8.270 nan 0.000 0.477 268 K N -0.347 120.011 120.400 -0.071 0.000 3.125 268 K HA -0.163 4.157 4.320 -0.000 0.000 0.268 268 K C -1.039 175.699 176.600 0.229 0.000 1.078 268 K CA 0.303 56.611 56.287 0.036 0.000 0.775 268 K CB -1.035 31.468 32.500 0.005 0.000 1.253 268 K HN 0.141 nan 8.250 nan 0.000 0.486 269 W N 2.266 123.554 121.300 -0.021 0.000 2.190 269 W HA 0.069 4.729 4.660 0.000 0.000 0.330 269 W C 1.032 177.559 176.519 0.013 0.000 1.299 269 W CA 0.127 57.469 57.345 -0.004 0.000 1.215 269 W CB -0.296 29.165 29.460 0.001 0.000 1.147 269 W HN 0.458 nan 8.180 nan 0.000 0.563 270 N N 0.026 118.831 118.700 0.175 0.000 2.698 270 N HA -0.208 4.532 4.740 -0.000 0.000 0.258 270 N C 0.662 176.239 175.510 0.112 0.000 0.978 270 N CA 1.486 54.596 53.050 0.099 0.000 0.777 270 N CB -1.544 36.995 38.487 0.086 0.000 0.907 270 N HN 1.103 nan 8.380 nan 0.000 0.543 271 G N -2.234 106.628 108.800 0.103 0.000 2.168 271 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.263 271 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.263 271 G C -0.175 174.794 174.900 0.115 0.000 0.977 271 G CA 0.514 45.671 45.100 0.096 0.000 0.659 271 G HN 0.801 nan 8.290 nan 0.000 0.533 272 E N 0.585 120.867 120.200 0.138 0.000 2.383 272 E HA 0.479 4.829 4.350 -0.000 0.000 0.264 272 E C 0.496 177.040 176.600 -0.093 0.000 1.050 272 E CA 0.282 56.769 56.400 0.145 0.000 0.896 272 E CB 0.609 30.434 29.700 0.208 0.000 0.982 272 E HN 0.672 nan 8.360 nan 0.000 0.424 273 K N 1.169 121.358 120.400 -0.352 0.000 2.512 273 K HA 0.339 4.659 4.320 -0.000 0.000 0.263 273 K C 0.385 176.767 176.600 -0.364 0.000 0.966 273 K CA -0.837 55.207 56.287 -0.405 0.000 0.851 273 K CB 1.126 33.320 32.500 -0.511 0.000 1.395 273 K HN 0.318 nan 8.250 nan 0.000 0.440 274 M N 1.143 120.562 119.600 -0.302 0.000 2.358 274 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 274 M C 1.764 178.027 176.300 -0.062 0.000 1.064 274 M CA 1.897 57.032 55.300 -0.276 0.000 1.093 274 M CB -0.384 32.009 32.600 -0.344 0.000 1.401 274 M HN 0.872 nan 8.290 nan 0.000 0.440 275 S N -0.302 115.357 115.700 -0.067 0.000 2.442 275 S HA -0.155 4.315 4.470 -0.000 0.000 0.236 275 S C 1.509 176.298 174.600 0.316 0.000 1.007 275 S CA 0.827 59.128 58.200 0.169 0.000 0.965 275 S CB -0.667 62.559 63.200 0.042 0.000 0.773 275 S HN 0.439 nan 8.310 nan 0.000 0.504 276 Y N 1.654 122.039 120.300 0.141 0.000 2.439 276 Y HA 0.308 4.857 4.550 -0.000 0.000 0.292 276 Y C 1.843 177.905 175.900 0.271 0.000 1.130 276 Y CA -0.701 57.507 58.100 0.180 0.000 1.254 276 Y CB -0.808 37.782 38.460 0.216 0.000 1.000 276 Y HN 0.286 nan 8.280 nan 0.000 0.554 277 L N 0.091 121.457 121.223 0.239 0.000 2.633 277 L HA -0.140 4.200 4.340 -0.000 0.000 0.235 277 L C 2.325 179.109 176.870 -0.143 0.000 1.163 277 L CA 0.652 55.471 54.840 -0.035 0.000 0.859 277 L CB -0.412 41.394 42.059 -0.423 0.000 0.973 277 L HN 0.137 nan 8.230 nan 0.000 0.451 278 K N 1.755 121.940 120.400 -0.358 0.000 2.074 278 K HA -0.210 4.109 4.320 -0.000 0.000 0.209 278 K C 1.255 177.568 176.600 -0.477 0.000 1.048 278 K CA 1.918 57.609 56.287 -0.993 0.000 0.926 278 K CB 0.041 32.151 32.500 -0.650 0.000 0.713 278 K HN 0.452 nan 8.250 nan 0.000 0.444 279 N N -0.443 118.186 118.700 -0.119 0.000 2.328 279 N HA -0.079 4.661 4.740 -0.000 0.000 0.247 279 N C -0.520 175.019 175.510 0.049 0.000 1.165 279 N CA -0.473 52.551 53.050 -0.043 0.000 0.873 279 N CB -0.578 37.901 38.487 -0.014 0.000 1.125 279 N HN 0.259 nan 8.380 nan 0.000 0.513 280 W N 1.549 122.641 121.300 -0.346 0.000 2.391 280 W HA 0.257 4.916 4.660 -0.001 0.000 0.339 280 W C 0.497 176.634 176.519 -0.636 0.000 1.252 280 W CA 2.112 59.000 57.345 -0.762 0.000 1.304 280 W CB 0.322 29.288 29.460 -0.823 0.000 1.179 280 W HN 0.451 nan 8.180 nan 0.000 0.567 281 G N 3.794 111.818 108.800 -1.294 0.000 2.250 281 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.189 281 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.189 281 G C 0.367 174.822 174.900 -0.742 0.000 1.298 281 G CA 0.012 44.471 45.100 -1.068 0.000 1.246 281 G HN 0.497 nan 8.290 nan 0.000 0.513 282 E N 0.560 120.620 120.200 -0.234 0.000 2.209 282 E HA -0.002 4.348 4.350 -0.000 0.000 0.196 282 E C 2.474 178.972 176.600 -0.170 0.000 0.993 282 E CA 1.156 57.503 56.400 -0.088 0.000 0.819 282 E CB -0.383 29.346 29.700 0.048 0.000 0.745 282 E HN 0.679 nan 8.360 nan 0.000 0.477 283 G N 0.094 108.789 108.800 -0.175 0.000 2.479 283 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 283 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 283 G C 0.523 175.299 174.900 -0.207 0.000 1.115 283 G CA 0.265 45.284 45.100 -0.135 0.000 0.757 283 G HN 0.270 nan 8.290 nan 0.000 0.560 284 W N 0.087 120.958 121.300 -0.715 0.000 3.388 284 W HA 0.447 5.107 4.660 -0.000 0.000 0.324 284 W C 1.615 177.728 176.519 -0.678 0.000 1.250 284 W CA -0.290 56.548 57.345 -0.845 0.000 1.809 284 W CB -0.034 28.542 29.460 -1.473 0.000 1.083 284 W HN 0.303 nan 8.180 nan 0.000 0.685 285 G N -0.623 108.027 108.800 -0.249 0.000 2.136 285 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.242 285 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.242 285 G C 0.004 175.014 174.900 0.183 0.000 0.989 285 G CA -0.504 44.576 45.100 -0.033 0.000 0.682 285 G HN -0.002 nan 8.290 nan 0.000 0.522 286 F N 0.266 120.184 119.950 -0.053 0.000 2.375 286 F HA 0.629 5.156 4.527 -0.000 0.000 0.313 286 F C 1.431 177.295 175.800 0.106 0.000 1.176 286 F CA -1.416 56.566 58.000 -0.031 0.000 1.142 286 F CB 0.349 39.199 39.000 -0.250 0.000 1.275 286 F HN 0.329 nan 8.300 nan 0.000 0.544 287 V N -0.489 119.664 119.914 0.399 0.000 3.376 287 V HA 0.301 4.421 4.120 -0.000 0.000 0.303 287 V C -2.515 173.749 176.094 0.283 0.000 1.100 287 V CA -1.833 60.689 62.300 0.370 0.000 1.126 287 V CB -0.371 31.707 31.823 0.424 0.000 1.085 287 V HN 0.513 nan 8.190 nan 0.000 0.480 288 P HA 0.082 nan 4.420 nan 0.000 0.266 288 P C 0.963 178.179 177.300 -0.140 0.000 1.195 288 P CA 0.606 63.700 63.100 -0.011 0.000 0.768 288 P CB 0.742 32.352 31.700 -0.150 0.000 0.838 289 S N 2.427 118.012 115.700 -0.192 0.000 2.387 289 S HA -0.204 4.266 4.470 -0.000 0.000 0.230 289 S C 1.306 175.674 174.600 -0.387 0.000 1.035 289 S CA 2.016 59.888 58.200 -0.547 0.000 1.014 289 S CB -0.926 62.059 63.200 -0.358 0.000 0.836 289 S HN 0.628 nan 8.310 nan 0.000 0.466 290 D N -0.341 119.899 120.400 -0.267 0.000 2.378 290 D HA -0.022 4.618 4.640 -0.000 0.000 0.227 290 D C 1.363 177.512 176.300 -0.253 0.000 1.012 290 D CA 0.319 54.181 54.000 -0.231 0.000 0.905 290 D CB -0.236 40.433 40.800 -0.218 0.000 0.895 290 D HN 0.283 nan 8.370 nan 0.000 0.532 291 R N -0.184 120.131 120.500 -0.308 0.000 2.535 291 R HA 0.440 4.780 4.340 -0.000 0.000 0.323 291 R C -0.047 176.181 176.300 -0.119 0.000 0.979 291 R CA -0.178 55.750 56.100 -0.288 0.000 1.120 291 R CB 0.815 30.668 30.300 -0.745 0.000 1.306 291 R HN 0.174 nan 8.270 nan 0.000 0.540 292 A N 1.657 124.383 122.820 -0.156 0.000 2.305 292 A HA 0.524 4.844 4.320 -0.000 0.000 0.322 292 A C -0.591 176.957 177.584 -0.061 0.000 1.187 292 A CA -0.463 51.508 52.037 -0.111 0.000 0.825 292 A CB 0.928 19.775 19.000 -0.255 0.000 1.164 292 A HN 0.117 nan 8.150 nan 0.000 0.498 293 L N 5.232 126.453 121.223 -0.003 0.000 2.316 293 L HA 0.633 4.972 4.340 -0.000 0.000 0.280 293 L C -0.381 176.485 176.870 -0.007 0.000 1.006 293 L CA -0.336 54.516 54.840 0.020 0.000 0.836 293 L CB 0.801 42.845 42.059 -0.025 0.000 1.221 293 L HN 0.679 nan 8.230 nan 0.000 0.418 294 V N 3.192 123.028 119.914 -0.130 0.000 2.994 294 V HA 0.850 4.970 4.120 -0.000 0.000 0.318 294 V C -0.692 175.312 176.094 -0.149 0.000 1.085 294 V CA -0.600 61.455 62.300 -0.408 0.000 0.998 294 V CB 1.877 33.128 31.823 -0.954 0.000 1.063 294 V HN 0.740 nan 8.190 nan 0.000 0.447 295 F N -1.017 118.710 119.950 -0.371 0.000 2.769 295 F HA 0.729 5.255 4.527 -0.000 0.000 0.313 295 F C -0.069 175.724 175.800 -0.011 0.000 1.146 295 F CA -0.859 57.036 58.000 -0.175 0.000 0.934 295 F CB 0.608 39.513 39.000 -0.159 0.000 1.283 295 F HN 0.247 nan 8.300 nan 0.000 0.443 296 V N 0.078 120.093 119.914 0.168 0.000 2.379 296 V HA 0.050 4.170 4.120 -0.000 0.000 0.243 296 V C 0.138 176.380 176.094 0.245 0.000 1.035 296 V CA 1.973 64.366 62.300 0.154 0.000 1.035 296 V CB -0.476 31.410 31.823 0.104 0.000 0.673 296 V HN 0.918 nan 8.190 nan 0.000 0.457 297 D N -0.857 119.780 120.400 0.395 0.000 2.596 297 D HA 0.460 5.100 4.640 -0.000 0.000 0.234 297 D C -0.766 175.747 176.300 0.354 0.000 1.181 297 D CA -0.166 54.062 54.000 0.379 0.000 0.856 297 D CB 2.251 43.228 40.800 0.296 0.000 1.498 297 D HN 0.269 nan 8.370 nan 0.000 0.446 298 S N -1.028 114.794 115.700 0.204 0.000 2.671 298 S HA 0.308 4.778 4.470 -0.000 0.000 0.299 298 S C 1.303 175.827 174.600 -0.127 0.000 1.116 298 S CA -0.637 57.542 58.200 -0.035 0.000 0.912 298 S CB 1.210 64.270 63.200 -0.233 0.000 1.130 298 S HN 0.718 nan 8.310 nan 0.000 0.501 299 H N 0.339 119.218 119.070 -0.318 0.000 2.457 299 H HA -0.074 4.482 4.556 -0.000 0.000 0.297 299 H C 0.476 175.417 175.328 -0.646 0.000 1.092 299 H CA 1.668 57.260 56.048 -0.760 0.000 1.309 299 H CB -0.557 28.334 29.762 -1.453 0.000 1.382 299 H HN 0.631 nan 8.280 nan 0.000 0.535 300 D N 1.693 121.501 120.400 -0.988 0.000 2.087 300 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 300 D C 1.812 178.025 176.300 -0.145 0.000 0.980 300 D CA 1.533 55.188 54.000 -0.575 0.000 0.849 300 D CB -0.300 40.276 40.800 -0.373 0.000 1.001 300 D HN 0.550 nan 8.370 nan 0.000 0.452 301 N N 1.169 119.869 118.700 -0.001 0.000 2.521 301 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 301 N C 1.417 176.993 175.510 0.110 0.000 1.146 301 N CA 0.448 53.563 53.050 0.109 0.000 0.893 301 N CB -0.549 38.074 38.487 0.227 0.000 0.975 301 N HN 0.386 nan 8.380 nan 0.000 0.451 302 Q N 0.559 120.394 119.800 0.058 0.000 2.432 302 Q HA -0.004 4.335 4.340 -0.000 0.000 0.205 302 Q C 0.693 176.831 176.000 0.230 0.000 0.945 302 Q CA 0.421 56.308 55.803 0.140 0.000 0.924 302 Q CB -0.054 28.762 28.738 0.130 0.000 1.016 302 Q HN 0.538 nan 8.270 nan 0.000 0.503 303 R N -0.650 119.918 120.500 0.114 0.000 2.700 303 R HA 0.443 4.783 4.340 -0.000 0.000 0.399 303 R C 0.540 176.912 176.300 0.120 0.000 1.115 303 R CA 0.032 56.228 56.100 0.159 0.000 1.058 303 R CB 0.322 30.565 30.300 -0.096 0.000 1.389 303 R HN 0.202 nan 8.270 nan 0.000 0.582 304 G N 1.178 110.047 108.800 0.116 0.000 2.166 304 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 304 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 304 G C 0.377 175.263 174.900 -0.023 0.000 0.986 304 G CA 0.466 45.600 45.100 0.056 0.000 0.683 304 G HN 0.580 nan 8.290 nan 0.000 0.527 305 H N 0.321 119.439 119.070 0.081 0.000 2.524 305 H HA 0.413 4.969 4.556 -0.000 0.000 0.280 305 H C 1.378 176.711 175.328 0.008 0.000 1.018 305 H CA 1.200 57.298 56.048 0.082 0.000 1.165 305 H CB 0.514 30.396 29.762 0.200 0.000 1.411 305 H HN 0.690 nan 8.280 nan 0.000 0.569 306 G N -0.857 107.991 108.800 0.079 0.000 2.721 306 G HA2 0.491 4.451 3.960 -0.000 0.000 0.296 306 G HA3 0.491 4.451 3.960 -0.000 0.000 0.296 306 G C -0.992 173.891 174.900 -0.027 0.000 1.383 306 G CA -0.245 44.843 45.100 -0.020 0.000 0.788 306 G HN 0.266 nan 8.290 nan 0.000 0.500 307 A N -1.415 121.317 122.820 -0.146 0.000 2.555 307 A HA 0.525 4.845 4.320 -0.000 0.000 0.233 307 A C 1.586 179.233 177.584 0.105 0.000 1.060 307 A CA 1.796 53.797 52.037 -0.059 0.000 0.759 307 A CB -0.240 18.669 19.000 -0.153 0.000 0.995 307 A HN 2.755 nan 8.150 nan 0.000 0.506 308 G N 0.477 109.330 108.800 0.087 0.000 2.424 308 G HA2 0.224 4.184 3.960 -0.000 0.000 0.207 308 G HA3 0.224 4.184 3.960 -0.000 0.000 0.207 308 G C 1.677 176.637 174.900 0.100 0.000 1.061 308 G CA 0.860 46.022 45.100 0.104 0.000 0.657 308 G HN 2.955 nan 8.290 nan 0.000 0.508 309 G N 0.418 109.275 108.800 0.094 0.000 2.561 309 G HA2 0.121 4.081 3.960 -0.000 0.000 0.289 309 G HA3 0.121 4.081 3.960 -0.000 0.000 0.289 309 G C 1.493 176.471 174.900 0.130 0.000 1.169 309 G CA 2.520 47.683 45.100 0.105 0.000 0.980 309 G HN 2.077 nan 8.290 nan 0.000 0.550 310 A N -0.062 122.869 122.820 0.185 0.000 2.119 310 A HA 0.375 4.695 4.320 -0.000 0.000 0.216 310 A C 2.621 180.304 177.584 0.166 0.000 1.152 310 A CA 2.576 54.751 52.037 0.230 0.000 0.708 310 A CB -0.593 18.598 19.000 0.318 0.000 0.805 310 A HN 2.064 nan 8.150 nan 0.000 0.460 311 S N -0.137 115.575 115.700 0.020 0.000 2.428 311 S HA 0.058 4.528 4.470 -0.000 0.000 0.230 311 S C 0.811 175.247 174.600 -0.274 0.000 1.014 311 S CA -0.078 57.841 58.200 -0.467 0.000 0.957 311 S CB -0.497 62.458 63.200 -0.408 0.000 0.784 311 S HN 0.269 nan 8.310 nan 0.000 0.499 312 I N 3.011 123.539 120.570 -0.069 0.000 2.826 312 I HA 0.065 4.234 4.170 -0.000 0.000 0.295 312 I C 0.351 176.474 176.117 0.010 0.000 1.213 312 I CA -0.018 61.283 61.300 0.002 0.000 1.436 312 I CB -0.660 37.395 38.000 0.090 0.000 1.348 312 I HN 0.336 nan 8.210 nan 0.000 0.570 313 L N 7.003 128.256 121.223 0.050 0.000 2.312 313 L HA 0.456 4.796 4.340 -0.000 0.000 0.281 313 L C 0.662 177.642 176.870 0.184 0.000 1.070 313 L CA -0.247 54.666 54.840 0.122 0.000 0.805 313 L CB 1.499 43.660 42.059 0.169 0.000 1.174 313 L HN 0.799 nan 8.230 nan 0.000 0.434 314 T N -1.879 112.647 114.554 -0.046 0.000 2.716 314 T HA 0.336 4.686 4.350 -0.000 0.000 0.286 314 T C 0.741 174.917 174.700 -0.873 0.000 1.052 314 T CA -0.621 61.184 62.100 -0.490 0.000 1.024 314 T CB 0.711 69.448 68.868 -0.218 0.000 1.349 314 T HN 0.414 nan 8.240 nan 0.000 0.525 315 F N -1.165 118.246 119.950 -0.897 0.000 2.408 315 F HA 0.186 4.713 4.527 -0.000 0.000 0.300 315 F C 1.619 177.316 175.800 -0.172 0.000 1.090 315 F CA -0.040 57.654 58.000 -0.509 0.000 1.427 315 F CB -0.982 37.773 39.000 -0.408 0.000 1.070 315 F HN 0.535 nan 8.300 nan 0.000 0.549 316 W N 1.535 122.398 121.300 -0.728 0.000 2.425 316 W HA -0.083 4.577 4.660 0.001 0.000 0.277 316 W C 0.863 177.305 176.519 -0.129 0.000 1.231 316 W CA 0.868 57.957 57.345 -0.427 0.000 1.248 316 W CB -0.193 28.960 29.460 -0.512 0.000 1.117 316 W HN -0.014 nan 8.180 nan 0.000 0.568 317 D N 0.072 120.537 120.400 0.108 0.000 2.894 317 D HA 0.239 4.879 4.640 -0.000 0.000 0.248 317 D C 1.607 178.034 176.300 0.213 0.000 1.291 317 D CA 0.383 54.465 54.000 0.136 0.000 0.840 317 D CB -0.022 40.839 40.800 0.101 0.000 1.044 317 D HN 0.025 nan 8.370 nan 0.000 0.484 318 A N 1.466 124.439 122.820 0.255 0.000 1.916 318 A HA -0.372 3.948 4.320 -0.000 0.000 0.224 318 A C 2.187 179.969 177.584 0.330 0.000 1.366 318 A CA 2.168 54.422 52.037 0.361 0.000 0.692 318 A CB -0.578 18.533 19.000 0.185 0.000 0.841 318 A HN 0.347 nan 8.150 nan 0.000 0.480 319 R N -0.670 119.949 120.500 0.199 0.000 2.083 319 R HA -0.070 4.269 4.340 -0.000 0.000 0.237 319 R C 2.136 178.538 176.300 0.170 0.000 1.137 319 R CA 1.903 58.105 56.100 0.171 0.000 0.951 319 R CB -0.384 29.982 30.300 0.109 0.000 0.851 319 R HN 0.583 nan 8.270 nan 0.000 0.434 320 L N -0.695 120.609 121.223 0.135 0.000 2.240 320 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 320 L C 2.183 179.114 176.870 0.101 0.000 1.106 320 L CA 0.616 55.496 54.840 0.065 0.000 0.793 320 L CB -0.468 41.600 42.059 0.016 0.000 0.927 320 L HN 0.277 nan 8.230 nan 0.000 0.446 321 Y N 1.456 121.803 120.300 0.078 0.000 2.114 321 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 321 Y C 2.534 178.509 175.900 0.124 0.000 1.143 321 Y CA 1.544 59.706 58.100 0.102 0.000 1.135 321 Y CB -0.120 38.453 38.460 0.189 0.000 0.980 321 Y HN -0.028 nan 8.280 nan 0.000 0.499 322 K N -0.393 120.149 120.400 0.237 0.000 2.103 322 K HA -0.259 4.060 4.320 -0.000 0.000 0.207 322 K C 2.278 178.877 176.600 -0.001 0.000 1.048 322 K CA 1.981 58.393 56.287 0.209 0.000 0.930 322 K CB -0.314 32.449 32.500 0.438 0.000 0.716 322 K HN 0.427 nan 8.250 nan 0.000 0.444 323 M N 0.243 119.755 119.600 -0.147 0.000 2.175 323 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 323 M C 2.070 178.124 176.300 -0.409 0.000 1.063 323 M CA 1.450 56.411 55.300 -0.564 0.000 1.119 323 M CB 0.011 32.402 32.600 -0.349 0.000 1.377 323 M HN 0.174 nan 8.290 nan 0.000 0.415 324 A N -0.517 122.129 122.820 -0.290 0.000 1.873 324 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 324 A C 1.995 179.471 177.584 -0.179 0.000 1.186 324 A CA 1.684 53.558 52.037 -0.271 0.000 0.616 324 A CB -1.047 17.817 19.000 -0.227 0.000 0.823 324 A HN 0.379 nan 8.150 nan 0.000 0.442 325 V N 0.076 119.840 119.914 -0.250 0.000 2.407 325 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 325 V C 2.767 178.829 176.094 -0.054 0.000 1.055 325 V CA 1.846 64.036 62.300 -0.184 0.000 1.049 325 V CB -1.408 30.234 31.823 -0.302 0.000 0.662 325 V HN 0.615 nan 8.190 nan 0.000 0.455 326 G N -0.874 107.894 108.800 -0.054 0.000 2.421 326 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 326 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 326 G C 1.562 176.529 174.900 0.111 0.000 1.171 326 G CA 0.954 46.075 45.100 0.034 0.000 0.775 326 G HN 0.481 nan 8.290 nan 0.000 0.543 327 F N 0.935 120.859 119.950 -0.043 0.000 2.102 327 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 327 F C 2.666 178.520 175.800 0.090 0.000 1.105 327 F CA 2.084 60.068 58.000 -0.027 0.000 1.239 327 F CB -0.126 38.568 39.000 -0.510 0.000 0.991 327 F HN 0.161 nan 8.300 nan 0.000 0.474 328 M N 0.070 119.793 119.600 0.205 0.000 2.065 328 M HA -0.249 4.230 4.480 -0.000 0.000 0.259 328 M C 2.022 178.400 176.300 0.130 0.000 1.069 328 M CA 2.037 57.492 55.300 0.257 0.000 1.110 328 M CB -0.538 32.208 32.600 0.242 0.000 1.328 328 M HN 0.291 nan 8.290 nan 0.000 0.405 329 L N 0.014 121.267 121.223 0.050 0.000 2.265 329 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 329 L C 2.565 179.469 176.870 0.057 0.000 1.117 329 L CA 0.903 55.754 54.840 0.018 0.000 0.782 329 L CB -0.768 41.279 42.059 -0.020 0.000 0.914 329 L HN 0.467 nan 8.230 nan 0.000 0.441 330 A N -2.199 120.637 122.820 0.026 0.000 2.030 330 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 330 A C 1.174 178.959 177.584 0.336 0.000 1.164 330 A CA 0.140 52.245 52.037 0.113 0.000 0.697 330 A CB -0.307 18.621 19.000 -0.120 0.000 0.827 330 A HN 0.285 nan 8.150 nan 0.000 0.457 331 H N 1.024 120.144 119.070 0.083 0.000 2.683 331 H HA 0.162 4.718 4.556 -0.000 0.000 0.339 331 H C -1.631 173.760 175.328 0.105 0.000 1.081 331 H CA -1.313 54.730 56.048 -0.009 0.000 1.432 331 H CB 1.466 31.064 29.762 -0.274 0.000 1.462 331 H HN 0.105 nan 8.280 nan 0.000 0.557 332 P HA -0.163 nan 4.420 nan 0.000 0.222 332 P C 0.295 177.705 177.300 0.184 0.000 1.147 332 P CA 0.692 63.824 63.100 0.053 0.000 0.790 332 P CB -0.123 31.556 31.700 -0.036 0.000 0.780 333 Y N 2.228 122.711 120.300 0.305 0.000 2.526 333 Y HA 0.329 4.879 4.550 -0.000 0.000 0.330 333 Y C 1.261 177.205 175.900 0.074 0.000 1.156 333 Y CA 1.259 59.472 58.100 0.188 0.000 1.419 333 Y CB -0.286 38.289 38.460 0.193 0.000 1.250 333 Y HN 0.315 nan 8.280 nan 0.000 0.540 334 G N 4.557 112.995 108.800 -0.604 0.000 2.877 334 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.279 334 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.279 334 G C -1.350 173.477 174.900 -0.121 0.000 1.431 334 G CA -0.213 44.613 45.100 -0.455 0.000 0.883 334 G HN 0.950 nan 8.290 nan 0.000 0.547 335 F N 1.851 121.668 119.950 -0.222 0.000 2.427 335 F HA 0.646 5.172 4.527 -0.000 0.000 0.346 335 F C 1.120 176.820 175.800 -0.166 0.000 1.120 335 F CA -0.004 57.895 58.000 -0.169 0.000 1.033 335 F CB 1.530 40.437 39.000 -0.154 0.000 1.126 335 F HN 0.851 nan 8.300 nan 0.000 0.462 336 T N 4.053 118.196 114.554 -0.685 0.000 2.856 336 T HA 0.408 4.758 4.350 -0.000 0.000 0.292 336 T C -0.334 174.083 174.700 -0.471 0.000 0.980 336 T CA -0.860 60.955 62.100 -0.475 0.000 1.091 336 T CB 1.274 69.944 68.868 -0.331 0.000 0.936 336 T HN 0.800 nan 8.240 nan 0.000 0.503 337 R N 2.498 122.875 120.500 -0.206 0.000 2.393 337 R HA 0.579 4.919 4.340 -0.000 0.000 0.315 337 R C -1.437 174.857 176.300 -0.010 0.000 0.952 337 R CA -0.710 55.321 56.100 -0.115 0.000 0.842 337 R CB 1.320 31.557 30.300 -0.105 0.000 1.163 337 R HN 0.607 nan 8.270 nan 0.000 0.450 338 V N 5.705 125.630 119.914 0.019 0.000 2.439 338 V HA 0.285 4.405 4.120 -0.000 0.000 0.282 338 V C 0.307 176.461 176.094 0.100 0.000 1.039 338 V CA -0.660 61.687 62.300 0.079 0.000 0.913 338 V CB 1.433 33.338 31.823 0.137 0.000 0.983 338 V HN 0.796 nan 8.190 nan 0.000 0.460 339 M N 4.196 123.876 119.600 0.134 0.000 2.274 339 M HA 0.478 4.957 4.480 -0.000 0.000 0.344 339 M C -0.087 176.252 176.300 0.065 0.000 1.161 339 M CA 0.651 56.026 55.300 0.125 0.000 1.126 339 M CB 1.409 34.120 32.600 0.185 0.000 1.522 339 M HN 0.634 nan 8.290 nan 0.000 0.461 340 S N 2.570 118.274 115.700 0.006 0.000 2.776 340 S HA 0.770 5.240 4.470 -0.000 0.000 0.284 340 S C -1.233 173.432 174.600 0.109 0.000 1.160 340 S CA -0.626 57.587 58.200 0.022 0.000 1.051 340 S CB 0.485 63.614 63.200 -0.119 0.000 1.037 340 S HN 0.855 nan 8.310 nan 0.000 0.485 341 S N 3.179 118.933 115.700 0.090 0.000 2.801 341 S HA 0.845 5.315 4.470 -0.000 0.000 0.312 341 S C -1.230 173.469 174.600 0.166 0.000 1.112 341 S CA -0.821 57.453 58.200 0.122 0.000 0.943 341 S CB 0.575 63.783 63.200 0.015 0.000 1.269 341 S HN 0.804 nan 8.310 nan 0.000 0.558 342 Y N -1.029 119.362 120.300 0.152 0.000 2.536 342 Y HA 0.773 5.323 4.550 -0.000 0.000 0.347 342 Y C -0.408 175.515 175.900 0.039 0.000 1.000 342 Y CA -1.483 56.589 58.100 -0.047 0.000 1.051 342 Y CB 0.760 39.041 38.460 -0.298 0.000 1.259 342 Y HN 0.464 nan 8.280 nan 0.000 0.468 343 R N 1.420 122.007 120.500 0.144 0.000 2.490 343 R HA 0.442 4.782 4.340 -0.000 0.000 0.278 343 R C -1.483 175.143 176.300 0.543 0.000 1.069 343 R CA -0.327 55.899 56.100 0.210 0.000 1.080 343 R CB 0.815 31.125 30.300 0.017 0.000 1.030 343 R HN 0.952 nan 8.270 nan 0.000 0.491 344 W N 1.524 123.099 121.300 0.458 0.000 3.107 344 W HA 0.442 5.101 4.660 -0.001 0.000 0.331 344 W C -2.593 174.090 176.519 0.273 0.000 1.204 344 W CA -2.683 54.845 57.345 0.304 0.000 1.184 344 W CB 0.461 30.095 29.460 0.290 0.000 1.421 344 W HN 0.328 nan 8.180 nan 0.000 0.544 345 P HA 0.046 nan 4.420 nan 0.000 0.259 345 P C -0.105 177.140 177.300 -0.091 0.000 1.635 345 P CA 0.190 63.304 63.100 0.023 0.000 1.199 345 P CB 0.191 31.924 31.700 0.055 0.000 1.850 346 R N 2.279 122.521 120.500 -0.430 0.000 2.585 346 R HA 0.053 4.393 4.340 -0.000 0.000 0.275 346 R C 0.541 176.623 176.300 -0.364 0.000 1.018 346 R CA 0.595 56.375 56.100 -0.534 0.000 1.072 346 R CB 0.342 30.035 30.300 -1.012 0.000 0.953 346 R HN 0.503 nan 8.270 nan 0.000 0.419 347 Q N 3.701 123.280 119.800 -0.369 0.000 2.878 347 Q HA 0.197 4.537 4.340 -0.000 0.000 0.232 347 Q C -1.519 174.335 176.000 -0.243 0.000 0.893 347 Q CA -0.367 55.314 55.803 -0.203 0.000 0.742 347 Q CB 0.597 29.300 28.738 -0.057 0.000 1.354 347 Q HN 0.382 nan 8.270 nan 0.000 0.466 348 F N 1.844 121.776 119.950 -0.029 0.000 2.443 348 F HA 0.306 4.833 4.527 -0.001 0.000 0.353 348 F C 0.482 176.287 175.800 0.008 0.000 1.101 348 F CA 0.358 58.351 58.000 -0.011 0.000 1.226 348 F CB 1.064 40.038 39.000 -0.044 0.000 1.140 348 F HN 0.389 nan 8.300 nan 0.000 0.557 349 Q N 2.620 122.539 119.800 0.198 0.000 2.269 349 Q HA 0.252 4.592 4.340 -0.000 0.000 0.263 349 Q C -0.607 175.464 176.000 0.119 0.000 0.983 349 Q CA -0.890 54.989 55.803 0.127 0.000 0.777 349 Q CB 1.705 30.498 28.738 0.091 0.000 1.273 349 Q HN 0.620 nan 8.270 nan 0.000 0.440 350 N N 1.368 120.122 118.700 0.090 0.000 2.735 350 N HA -0.244 4.496 4.740 -0.000 0.000 0.248 350 N C 0.590 176.147 175.510 0.077 0.000 1.083 350 N CA 1.566 54.655 53.050 0.065 0.000 0.703 350 N CB -1.033 37.486 38.487 0.054 0.000 1.005 350 N HN 1.154 nan 8.380 nan 0.000 0.550 351 G N -0.897 107.967 108.800 0.106 0.000 2.199 351 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.254 351 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.254 351 G C -0.095 174.954 174.900 0.249 0.000 0.982 351 G CA 0.624 45.786 45.100 0.104 0.000 0.632 351 G HN 0.953 nan 8.290 nan 0.000 0.529 352 N N 0.032 118.894 118.700 0.270 0.000 2.361 352 N HA 0.500 5.240 4.740 -0.000 0.000 0.302 352 N C -1.012 174.606 175.510 0.180 0.000 1.074 352 N CA -0.456 52.748 53.050 0.257 0.000 0.850 352 N CB 1.868 40.433 38.487 0.129 0.000 1.228 352 N HN 0.037 nan 8.380 nan 0.000 0.491 353 D N 1.932 122.314 120.400 -0.031 0.000 2.352 353 D HA 0.009 4.649 4.640 -0.000 0.000 0.245 353 D C 1.238 177.496 176.300 -0.070 0.000 1.224 353 D CA -0.734 53.012 54.000 -0.424 0.000 0.879 353 D CB 0.969 41.359 40.800 -0.682 0.000 1.057 353 D HN 0.476 nan 8.370 nan 0.000 0.491 354 V N 1.886 121.797 119.914 -0.005 0.000 3.078 354 V HA 0.007 4.127 4.120 -0.000 0.000 0.265 354 V C 0.701 176.960 176.094 0.275 0.000 1.122 354 V CA 0.879 63.271 62.300 0.153 0.000 1.141 354 V CB -0.490 31.424 31.823 0.152 0.000 0.735 354 V HN 0.405 nan 8.190 nan 0.000 0.498 355 N N 1.734 120.510 118.700 0.125 0.000 2.321 355 N HA 0.086 4.826 4.740 -0.000 0.000 0.242 355 N C 0.696 176.120 175.510 -0.143 0.000 1.141 355 N CA 0.756 53.777 53.050 -0.047 0.000 0.864 355 N CB 0.351 38.832 38.487 -0.010 0.000 1.100 355 N HN 0.820 nan 8.380 nan 0.000 0.510 356 D N -0.575 119.883 120.400 0.096 0.000 2.378 356 D HA -0.132 4.508 4.640 -0.000 0.000 0.227 356 D C 1.612 178.142 176.300 0.383 0.000 1.012 356 D CA 0.220 54.297 54.000 0.130 0.000 0.905 356 D CB -0.394 40.549 40.800 0.238 0.000 0.895 356 D HN 0.472 nan 8.370 nan 0.000 0.532 357 W N 0.647 122.200 121.300 0.422 0.000 2.812 357 W HA 0.256 4.916 4.660 -0.000 0.000 0.263 357 W C -0.227 176.438 176.519 0.242 0.000 1.284 357 W CA -0.566 57.032 57.345 0.423 0.000 1.430 357 W CB -0.772 28.905 29.460 0.361 0.000 1.088 357 W HN -0.295 nan 8.180 nan 0.000 0.623 358 V N 3.626 123.103 119.914 -0.728 0.000 2.644 358 V HA 0.048 4.168 4.120 -0.000 0.000 0.303 358 V C 1.477 177.577 176.094 0.011 0.000 1.058 358 V CA 1.108 63.031 62.300 -0.628 0.000 1.228 358 V CB -0.703 30.795 31.823 -0.543 0.000 0.861 358 V HN 0.190 nan 8.190 nan 0.000 0.484 359 G N 6.912 115.711 108.800 -0.002 0.000 2.553 359 G HA2 0.458 4.418 3.960 -0.000 0.000 0.278 359 G HA3 0.458 4.418 3.960 -0.000 0.000 0.278 359 G C -2.220 172.398 174.900 -0.469 0.000 1.349 359 G CA -0.979 44.095 45.100 -0.045 0.000 1.037 359 G HN 0.657 nan 8.290 nan 0.000 0.508 360 P HA 0.172 nan 4.420 nan 0.000 0.271 360 P C -2.664 174.114 177.300 -0.871 0.000 1.233 360 P CA -0.961 61.304 63.100 -1.391 0.000 0.789 360 P CB -0.074 31.183 31.700 -0.737 0.000 0.951 361 P HA 0.047 nan 4.420 nan 0.000 0.262 361 P C -0.311 176.787 177.300 -0.336 0.000 1.182 361 P CA 0.802 63.531 63.100 -0.618 0.000 0.761 361 P CB -0.143 31.036 31.700 -0.869 0.000 0.795 362 N N 0.859 119.453 118.700 -0.177 0.000 2.927 362 N HA 0.391 5.131 4.740 -0.000 0.000 0.248 362 N C -1.647 173.858 175.510 -0.009 0.000 1.443 362 N CA -1.027 51.983 53.050 -0.066 0.000 0.870 362 N CB 1.054 39.525 38.487 -0.026 0.000 1.444 362 N HN 0.047 nan 8.380 nan 0.000 0.519 363 N N 0.359 119.072 118.700 0.022 0.000 2.573 363 N HA 0.403 5.143 4.740 -0.000 0.000 0.262 363 N C -1.207 174.346 175.510 0.072 0.000 1.029 363 N CA -0.762 52.306 53.050 0.030 0.000 0.882 363 N CB 0.805 39.300 38.487 0.013 0.000 1.204 363 N HN 0.588 nan 8.380 nan 0.000 0.519 364 N N 1.890 120.650 118.700 0.099 0.000 2.735 364 N HA -0.215 4.525 4.740 -0.000 0.000 0.248 364 N C 0.891 176.602 175.510 0.336 0.000 1.083 364 N CA 1.411 54.558 53.050 0.162 0.000 0.703 364 N CB -1.052 37.490 38.487 0.092 0.000 1.005 364 N HN 1.010 nan 8.380 nan 0.000 0.550 365 G N -2.423 106.615 108.800 0.397 0.000 2.241 365 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.244 365 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.244 365 G C 0.018 174.940 174.900 0.037 0.000 0.998 365 G CA 0.183 45.403 45.100 0.201 0.000 0.621 365 G HN 0.458 nan 8.290 nan 0.000 0.519 366 V N 3.298 123.244 119.914 0.054 0.000 2.405 366 V HA 0.374 4.494 4.120 -0.000 0.000 0.264 366 V C 1.337 177.421 176.094 -0.016 0.000 1.048 366 V CA -0.510 61.794 62.300 0.006 0.000 0.966 366 V CB 0.873 32.707 31.823 0.017 0.000 1.015 366 V HN 0.363 nan 8.190 nan 0.000 0.477 367 I N 5.224 125.767 120.570 -0.045 0.000 2.826 367 I HA -0.031 4.139 4.170 -0.000 0.000 0.295 367 I C 0.963 177.090 176.117 0.016 0.000 1.213 367 I CA 0.449 61.730 61.300 -0.032 0.000 1.436 367 I CB 0.098 38.079 38.000 -0.031 0.000 1.348 367 I HN 0.571 nan 8.210 nan 0.000 0.570 368 K N 6.279 126.712 120.400 0.053 0.000 2.237 368 K HA 0.102 4.422 4.320 -0.000 0.000 0.270 368 K C 0.258 176.957 176.600 0.165 0.000 1.015 368 K CA -0.603 55.738 56.287 0.091 0.000 0.949 368 K CB 0.575 33.111 32.500 0.059 0.000 0.976 368 K HN 0.499 nan 8.250 nan 0.000 0.472 369 E N 1.454 121.677 120.200 0.038 0.000 2.392 369 E HA 0.045 4.395 4.350 -0.000 0.000 0.259 369 E C -0.441 176.072 176.600 -0.146 0.000 1.108 369 E CA -0.432 55.910 56.400 -0.098 0.000 0.916 369 E CB 0.523 30.171 29.700 -0.087 0.000 0.989 369 E HN 0.084 nan 8.360 nan 0.000 0.432 370 V N 2.445 122.051 119.914 -0.513 0.000 2.432 370 V HA 0.161 4.280 4.120 -0.000 0.000 0.271 370 V C 0.463 176.392 176.094 -0.276 0.000 1.046 370 V CA -0.278 61.620 62.300 -0.669 0.000 0.945 370 V CB 0.596 31.631 31.823 -1.313 0.000 0.992 370 V HN 0.805 nan 8.190 nan 0.000 0.471 371 T N 4.079 118.572 114.554 -0.102 0.000 2.867 371 T HA 0.670 5.020 4.350 -0.000 0.000 0.282 371 T C -0.493 174.186 174.700 -0.036 0.000 1.000 371 T CA -0.751 61.320 62.100 -0.048 0.000 1.042 371 T CB 1.457 70.324 68.868 -0.002 0.000 0.973 371 T HN 0.236 nan 8.240 nan 0.000 0.465 372 I N 3.400 123.953 120.570 -0.028 0.000 2.336 372 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 372 I C 0.268 176.386 176.117 0.003 0.000 0.991 372 I CA -0.914 60.377 61.300 -0.014 0.000 1.227 372 I CB 0.966 38.961 38.000 -0.009 0.000 1.366 372 I HN 0.684 nan 8.210 nan 0.000 0.466 373 N N 8.519 127.224 118.700 0.009 0.000 2.445 373 N HA 0.285 5.025 4.740 -0.000 0.000 0.264 373 N C -1.478 174.042 175.510 0.017 0.000 1.227 373 N CA -1.351 51.706 53.050 0.013 0.000 0.963 373 N CB 0.659 39.156 38.487 0.015 0.000 1.188 373 N HN 0.359 nan 8.380 nan 0.000 0.491 374 P HA -0.131 nan 4.420 nan 0.000 0.221 374 P C 0.178 177.493 177.300 0.025 0.000 1.145 374 P CA 1.297 64.409 63.100 0.021 0.000 0.795 374 P CB 0.227 31.936 31.700 0.017 0.000 0.775 375 D N -1.149 119.265 120.400 0.023 0.000 2.325 375 D HA -0.030 4.610 4.640 -0.000 0.000 0.225 375 D C 0.714 177.037 176.300 0.038 0.000 1.096 375 D CA 1.077 55.093 54.000 0.027 0.000 0.844 375 D CB -0.735 40.074 40.800 0.015 0.000 0.925 375 D HN 0.265 nan 8.370 nan 0.000 0.513 376 T N -3.481 111.095 114.554 0.036 0.000 5.979 376 T HA -0.261 4.089 4.350 -0.000 0.000 0.273 376 T C 0.636 175.335 174.700 -0.002 0.000 2.195 376 T CA 1.450 63.569 62.100 0.032 0.000 3.693 376 T CB -2.974 65.942 68.868 0.080 0.000 0.944 376 T HN 0.507 nan 8.240 nan 0.000 1.117 377 T N -0.715 113.850 114.554 0.018 0.000 2.754 377 T HA 0.630 4.979 4.350 -0.000 0.000 0.286 377 T C 0.873 175.588 174.700 0.025 0.000 0.997 377 T CA -0.230 61.891 62.100 0.034 0.000 0.982 377 T CB 1.136 70.029 68.868 0.042 0.000 1.027 377 T HN 0.643 nan 8.240 nan 0.000 0.529 378 c N 0.452 119.087 118.600 0.057 0.000 2.399 378 c HA 0.889 5.459 4.570 -0.000 0.000 0.348 378 c C 1.314 175.455 174.090 0.085 0.000 1.183 378 c CA -0.359 56.010 56.329 0.066 0.000 2.023 378 c CB 0.813 43.392 42.510 0.114 0.000 2.361 378 c HN 1.194 nan 8.230 nan 0.000 0.521 379 G N 0.255 109.107 108.800 0.087 0.000 2.938 379 G HA2 0.465 4.425 3.960 -0.000 0.000 0.258 379 G HA3 0.465 4.425 3.960 -0.000 0.000 0.258 379 G C -0.077 174.901 174.900 0.129 0.000 1.356 379 G CA -0.209 44.938 45.100 0.077 0.000 1.052 379 G HN 0.768 nan 8.290 nan 0.000 0.550 380 N N 0.345 119.077 118.700 0.053 0.000 2.714 380 N HA -0.158 4.582 4.740 -0.000 0.000 0.250 380 N C -0.046 175.335 175.510 -0.215 0.000 1.117 380 N CA 1.350 54.392 53.050 -0.013 0.000 0.719 380 N CB -0.582 37.968 38.487 0.104 0.000 1.081 380 N HN 0.720 nan 8.380 nan 0.000 0.557 381 D N -4.026 116.289 120.400 -0.141 0.000 3.028 381 D HA -0.225 4.415 4.640 -0.000 0.000 0.207 381 D C -0.368 175.793 176.300 -0.231 0.000 1.100 381 D CA 1.098 54.979 54.000 -0.198 0.000 0.995 381 D CB -1.459 39.192 40.800 -0.248 0.000 1.108 381 D HN 0.515 nan 8.370 nan 0.000 0.421 382 W N 0.566 121.845 121.300 -0.035 0.000 2.311 382 W HA 0.347 5.007 4.660 0.000 0.000 0.310 382 W C 1.737 178.243 176.519 -0.022 0.000 1.274 382 W CA -0.872 56.470 57.345 -0.006 0.000 1.215 382 W CB 0.729 30.139 29.460 -0.083 0.000 1.227 382 W HN -0.277 nan 8.180 nan 0.000 0.523 383 V N 2.336 122.316 119.914 0.109 0.000 2.591 383 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 383 V C 1.189 177.344 176.094 0.102 0.000 1.053 383 V CA 0.348 62.615 62.300 -0.054 0.000 1.068 383 V CB -0.925 30.553 31.823 -0.576 0.000 0.689 383 V HN 0.866 nan 8.190 nan 0.000 0.462 384 c N 1.467 120.165 118.600 0.162 0.000 3.727 384 c HA -0.161 4.409 4.570 -0.000 0.000 0.293 384 c C 1.689 175.653 174.090 -0.211 0.000 1.339 384 c CA 0.541 56.934 56.329 0.108 0.000 2.150 384 c CB -2.499 40.043 42.510 0.054 0.000 1.383 384 c HN 0.675 nan 8.230 nan 0.000 0.614 385 E N 0.475 120.432 120.200 -0.405 0.000 2.160 385 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 385 E C 1.976 178.290 176.600 -0.476 0.000 0.991 385 E CA 1.654 57.431 56.400 -1.039 0.000 0.810 385 E CB -0.167 29.108 29.700 -0.708 0.000 0.742 385 E HN 0.974 nan 8.360 nan 0.000 0.466 386 H N -0.049 118.901 119.070 -0.200 0.000 2.543 386 H HA 0.074 4.630 4.556 -0.000 0.000 0.286 386 H C 1.304 176.709 175.328 0.129 0.000 1.037 386 H CA 0.952 57.013 56.048 0.021 0.000 1.250 386 H CB -0.042 29.669 29.762 -0.084 0.000 1.373 386 H HN 0.087 nan 8.280 nan 0.000 0.580 387 R N -0.626 119.613 120.500 -0.434 0.000 2.312 387 R HA 0.051 4.391 4.340 -0.000 0.000 0.205 387 R C -0.198 176.239 176.300 0.229 0.000 0.904 387 R CA -0.422 55.538 56.100 -0.234 0.000 1.052 387 R CB 0.233 30.221 30.300 -0.521 0.000 1.014 387 R HN 0.108 nan 8.270 nan 0.000 0.503 388 W N 2.012 123.337 121.300 0.041 0.000 2.322 388 W HA 0.097 4.757 4.660 -0.000 0.000 0.328 388 W C 1.568 178.163 176.519 0.126 0.000 1.395 388 W CA -0.929 56.468 57.345 0.087 0.000 1.267 388 W CB -0.032 29.501 29.460 0.122 0.000 1.259 388 W HN 0.094 nan 8.180 nan 0.000 0.560 389 R N 1.933 122.613 120.500 0.300 0.000 2.134 389 R HA -0.291 4.048 4.340 -0.000 0.000 0.248 389 R C 2.009 178.437 176.300 0.215 0.000 1.143 389 R CA 2.479 58.709 56.100 0.217 0.000 0.957 389 R CB -0.090 30.285 30.300 0.126 0.000 0.867 389 R HN 0.581 nan 8.270 nan 0.000 0.441 390 Q N -0.084 119.853 119.800 0.229 0.000 2.135 390 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 390 Q C 2.276 178.426 176.000 0.250 0.000 0.981 390 Q CA 1.636 57.566 55.803 0.211 0.000 0.856 390 Q CB -0.246 28.650 28.738 0.264 0.000 0.902 390 Q HN 0.515 nan 8.270 nan 0.000 0.425 391 I N 0.528 121.281 120.570 0.306 0.000 2.339 391 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 391 I C 2.803 179.054 176.117 0.223 0.000 1.096 391 I CA 0.447 61.890 61.300 0.237 0.000 1.408 391 I CB -0.327 37.799 38.000 0.210 0.000 1.092 391 I HN 0.120 nan 8.210 nan 0.000 0.423 392 R N 1.598 122.279 120.500 0.301 0.000 2.105 392 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 392 R C 1.684 178.085 176.300 0.168 0.000 1.135 392 R CA 1.829 58.125 56.100 0.327 0.000 0.967 392 R CB -0.423 30.143 30.300 0.444 0.000 0.861 392 R HN 0.328 nan 8.270 nan 0.000 0.442 393 N N 0.034 118.836 118.700 0.170 0.000 2.331 393 N HA -0.075 4.665 4.740 -0.000 0.000 0.180 393 N C 1.509 177.108 175.510 0.149 0.000 1.019 393 N CA 0.934 54.075 53.050 0.152 0.000 0.881 393 N CB -0.068 38.512 38.487 0.156 0.000 0.972 393 N HN 0.207 nan 8.380 nan 0.000 0.435 394 M N -0.226 119.441 119.600 0.112 0.000 2.447 394 M HA 0.073 4.553 4.480 -0.000 0.000 0.264 394 M C 1.805 178.129 176.300 0.040 0.000 1.095 394 M CA 0.325 55.668 55.300 0.072 0.000 1.125 394 M CB -0.502 32.115 32.600 0.028 0.000 1.389 394 M HN -0.117 nan 8.290 nan 0.000 0.459 395 V N 0.631 120.521 119.914 -0.040 0.000 2.307 395 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 395 V C 2.322 178.307 176.094 -0.182 0.000 1.045 395 V CA 1.549 63.724 62.300 -0.208 0.000 1.024 395 V CB -0.420 31.086 31.823 -0.528 0.000 0.651 395 V HN 0.338 nan 8.190 nan 0.000 0.449 396 I N -0.881 119.613 120.570 -0.127 0.000 2.286 396 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 396 I C 2.316 178.337 176.117 -0.160 0.000 1.115 396 I CA 1.675 62.899 61.300 -0.128 0.000 1.392 396 I CB -0.438 37.526 38.000 -0.059 0.000 1.065 396 I HN 0.339 nan 8.210 nan 0.000 0.418 397 F N 1.946 121.739 119.950 -0.262 0.000 2.126 397 F HA -0.259 4.268 4.527 -0.000 0.000 0.299 397 F C 2.678 178.351 175.800 -0.211 0.000 1.096 397 F CA 1.746 59.552 58.000 -0.323 0.000 1.255 397 F CB -0.383 38.565 39.000 -0.087 0.000 0.997 397 F HN -0.144 nan 8.300 nan 0.000 0.479 398 R N 0.190 120.819 120.500 0.214 0.000 2.096 398 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 398 R C 2.013 178.289 176.300 -0.041 0.000 1.127 398 R CA 1.610 57.781 56.100 0.120 0.000 0.968 398 R CB -0.320 30.002 30.300 0.036 0.000 0.861 398 R HN 0.294 nan 8.270 nan 0.000 0.440 399 N N 0.000 118.637 118.700 -0.105 0.000 2.084 399 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 399 N C 1.747 177.173 175.510 -0.141 0.000 1.030 399 N CA 1.294 54.274 53.050 -0.117 0.000 0.849 399 N CB -0.376 38.034 38.487 -0.128 0.000 1.012 399 N HN 0.036 nan 8.380 nan 0.000 0.423 400 V N 1.044 120.817 119.914 -0.235 0.000 2.407 400 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 400 V C 2.035 177.997 176.094 -0.220 0.000 1.055 400 V CA 1.453 63.599 62.300 -0.258 0.000 1.049 400 V CB -0.471 31.087 31.823 -0.442 0.000 0.662 400 V HN 0.309 nan 8.190 nan 0.000 0.455 401 V N -2.154 117.607 119.914 -0.254 0.000 3.596 401 V HA 0.262 4.381 4.120 -0.000 0.000 0.289 401 V C 0.580 176.643 176.094 -0.052 0.000 1.336 401 V CA -0.269 61.932 62.300 -0.164 0.000 1.137 401 V CB -0.379 31.319 31.823 -0.209 0.000 0.966 401 V HN 0.449 nan 8.190 nan 0.000 0.428 402 D N 1.629 122.000 120.400 -0.048 0.000 2.531 402 D HA 0.376 5.016 4.640 -0.000 0.000 0.239 402 D C 1.502 177.800 176.300 -0.002 0.000 1.144 402 D CA 2.118 56.110 54.000 -0.013 0.000 0.869 402 D CB 0.476 41.264 40.800 -0.020 0.000 1.160 402 D HN 0.611 nan 8.370 nan 0.000 0.484 403 G N 2.626 111.435 108.800 0.014 0.000 2.225 403 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 403 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 403 G C 0.457 175.374 174.900 0.028 0.000 0.988 403 G CA 0.375 45.485 45.100 0.017 0.000 0.625 403 G HN 0.661 nan 8.290 nan 0.000 0.527 404 Q N 2.049 121.869 119.800 0.034 0.000 2.314 404 Q HA 0.517 4.857 4.340 -0.000 0.000 0.258 404 Q C -1.656 174.393 176.000 0.081 0.000 0.954 404 Q CA -1.524 54.309 55.803 0.050 0.000 0.890 404 Q CB 1.182 29.945 28.738 0.041 0.000 1.210 404 Q HN 0.380 nan 8.270 nan 0.000 0.410 405 P HA -0.001 nan 4.420 nan 0.000 0.274 405 P C -0.997 176.407 177.300 0.174 0.000 1.246 405 P CA -0.259 62.912 63.100 0.119 0.000 0.795 405 P CB 0.460 32.219 31.700 0.099 0.000 1.006 406 F N 1.416 121.378 119.950 0.020 0.000 2.444 406 F HA 0.431 4.958 4.527 -0.000 0.000 0.360 406 F C 0.367 176.227 175.800 0.100 0.000 1.106 406 F CA 0.800 58.808 58.000 0.013 0.000 1.170 406 F CB 0.405 39.321 39.000 -0.141 0.000 1.113 406 F HN 0.294 nan 8.300 nan 0.000 0.521 407 T N 4.185 118.591 114.554 -0.246 0.000 2.731 407 T HA 0.260 4.609 4.350 -0.000 0.000 0.300 407 T C -0.725 173.957 174.700 -0.030 0.000 1.283 407 T CA -0.755 61.288 62.100 -0.095 0.000 1.005 407 T CB 0.900 69.798 68.868 0.050 0.000 1.420 407 T HN 0.574 nan 8.240 nan 0.000 0.503 408 N N 1.205 119.968 118.700 0.106 0.000 2.725 408 N HA -0.134 4.606 4.740 -0.000 0.000 0.251 408 N C -0.634 175.039 175.510 0.271 0.000 1.031 408 N CA 0.677 53.857 53.050 0.217 0.000 0.720 408 N CB -0.763 37.903 38.487 0.298 0.000 0.930 408 N HN 0.590 nan 8.380 nan 0.000 0.543 409 W N 1.128 122.457 121.300 0.048 0.000 2.218 409 W HA 0.350 5.010 4.660 -0.000 0.000 0.326 409 W C -0.532 176.122 176.519 0.225 0.000 1.276 409 W CA -0.197 57.211 57.345 0.104 0.000 1.210 409 W CB 0.345 29.849 29.460 0.074 0.000 1.143 409 W HN 0.224 nan 8.180 nan 0.000 0.563 410 Y N 5.250 125.145 120.300 -0.675 0.000 2.504 410 Y HA 0.400 4.950 4.550 -0.000 0.000 0.344 410 Y C -1.581 173.893 175.900 -0.709 0.000 1.023 410 Y CA -0.930 56.915 58.100 -0.425 0.000 1.020 410 Y CB 1.414 39.791 38.460 -0.138 0.000 1.282 410 Y HN 0.528 nan 8.280 nan 0.000 0.454 411 D N 2.092 121.630 120.400 -1.438 0.000 2.655 411 D HA 0.199 4.839 4.640 -0.000 0.000 0.229 411 D C -1.131 174.635 176.300 -0.889 0.000 1.229 411 D CA -0.791 52.626 54.000 -0.972 0.000 0.807 411 D CB 1.034 41.709 40.800 -0.209 0.000 1.514 411 D HN 0.449 nan 8.370 nan 0.000 0.444 412 N N 1.198 119.649 118.700 -0.414 0.000 2.276 412 N HA 0.191 4.931 4.740 -0.000 0.000 0.212 412 N C 1.318 176.845 175.510 0.028 0.000 1.127 412 N CA 0.242 53.257 53.050 -0.058 0.000 0.834 412 N CB 0.309 38.918 38.487 0.204 0.000 1.014 412 N HN 1.043 nan 8.380 nan 0.000 0.491 413 G N -1.300 107.492 108.800 -0.014 0.000 2.184 413 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 413 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 413 G C 0.344 175.252 174.900 0.013 0.000 0.975 413 G CA 0.736 45.857 45.100 0.036 0.000 0.642 413 G HN 0.655 nan 8.290 nan 0.000 0.536 414 S N -0.915 114.782 115.700 -0.005 0.000 3.894 414 S HA 0.436 4.906 4.470 -0.000 0.000 0.189 414 S C 0.981 175.493 174.600 -0.147 0.000 1.096 414 S CA 0.723 58.900 58.200 -0.037 0.000 1.481 414 S CB 0.112 63.379 63.200 0.112 0.000 1.321 414 S HN 0.290 nan 8.310 nan 0.000 0.828 415 N N 1.039 119.622 118.700 -0.195 0.000 2.235 415 N HA 0.261 5.001 4.740 -0.000 0.000 0.231 415 N C -1.088 174.260 175.510 -0.269 0.000 1.177 415 N CA -0.213 52.684 53.050 -0.256 0.000 0.874 415 N CB 0.805 39.119 38.487 -0.288 0.000 1.097 415 N HN 0.420 nan 8.380 nan 0.000 0.518 416 Q N 0.919 120.574 119.800 -0.243 0.000 2.357 416 Q HA 0.522 4.862 4.340 -0.000 0.000 0.266 416 Q C -0.754 175.057 176.000 -0.315 0.000 1.021 416 Q CA -0.836 54.785 55.803 -0.303 0.000 0.784 416 Q CB 1.719 30.261 28.738 -0.326 0.000 1.243 416 Q HN -0.005 nan 8.270 nan 0.000 0.465 417 V N -1.127 118.591 119.914 -0.327 0.000 3.141 417 V HA 1.040 5.159 4.120 -0.000 0.000 0.312 417 V C -1.029 174.858 176.094 -0.346 0.000 1.157 417 V CA -0.568 61.470 62.300 -0.436 0.000 1.041 417 V CB 1.682 33.195 31.823 -0.517 0.000 1.071 417 V HN 1.016 nan 8.190 nan 0.000 0.441 418 A N 1.819 124.342 122.820 -0.495 0.000 2.604 418 A HA 1.013 5.333 4.320 -0.000 0.000 0.295 418 A C -1.216 176.100 177.584 -0.446 0.000 1.067 418 A CA -0.242 51.494 52.037 -0.502 0.000 0.683 418 A CB 1.724 20.431 19.000 -0.487 0.000 1.281 418 A HN 2.384 nan 8.150 nan 0.000 0.407 419 F N -1.087 118.447 119.950 -0.695 0.000 2.741 419 F HA 0.862 5.389 4.527 -0.000 0.000 0.311 419 F C -0.050 175.375 175.800 -0.624 0.000 1.149 419 F CA -0.385 57.326 58.000 -0.482 0.000 0.930 419 F CB 0.850 39.733 39.000 -0.196 0.000 1.312 419 F HN 1.105 nan 8.300 nan 0.000 0.450 420 G N 0.476 109.289 108.800 0.022 0.000 2.600 420 G HA2 0.664 4.624 3.960 -0.000 0.000 0.303 420 G HA3 0.664 4.624 3.960 -0.000 0.000 0.303 420 G C -1.573 173.468 174.900 0.234 0.000 1.253 420 G CA -1.281 43.931 45.100 0.186 0.000 0.974 420 G HN 0.573 nan 8.290 nan 0.000 0.483 421 R N 0.488 121.120 120.500 0.220 0.000 2.335 421 R HA 0.483 4.822 4.340 -0.000 0.000 0.302 421 R C 0.937 177.304 176.300 0.112 0.000 1.147 421 R CA 0.032 56.244 56.100 0.187 0.000 1.111 421 R CB 0.276 30.689 30.300 0.190 0.000 1.122 421 R HN 1.256 nan 8.270 nan 0.000 0.557 422 G N 3.473 112.336 108.800 0.104 0.000 2.614 422 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.303 422 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.303 422 G C 0.272 175.215 174.900 0.071 0.000 1.270 422 G CA 0.695 45.840 45.100 0.076 0.000 0.988 422 G HN 0.660 nan 8.290 nan 0.000 0.551 423 N N 0.501 119.230 118.700 0.048 0.000 2.328 423 N HA 0.242 4.982 4.740 -0.000 0.000 0.247 423 N C 1.251 176.782 175.510 0.036 0.000 1.165 423 N CA -0.031 53.044 53.050 0.042 0.000 0.873 423 N CB 0.584 39.093 38.487 0.037 0.000 1.125 423 N HN 0.540 nan 8.380 nan 0.000 0.513 424 R N -0.701 119.810 120.500 0.019 0.000 2.344 424 R HA 0.372 4.711 4.340 -0.000 0.000 0.209 424 R C 0.319 176.578 176.300 -0.067 0.000 0.886 424 R CA 0.387 56.479 56.100 -0.014 0.000 1.040 424 R CB 1.224 31.493 30.300 -0.052 0.000 1.114 424 R HN 0.301 nan 8.270 nan 0.000 0.547 425 G N 0.404 109.180 108.800 -0.040 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 -2.055 172.973 174.900 0.214 0.000 1.450 425 G CA -0.405 44.665 45.100 -0.049 0.000 0.837 425 G HN -0.013 nan 8.290 nan 0.000 0.505 426 F N 0.328 120.327 119.950 0.081 0.000 2.628 426 F HA 0.807 5.334 4.527 -0.000 0.000 0.309 426 F C -1.103 174.626 175.800 -0.119 0.000 1.108 426 F CA -0.973 56.998 58.000 -0.049 0.000 0.971 426 F CB 2.140 41.078 39.000 -0.104 0.000 1.279 426 F HN 0.523 nan 8.300 nan 0.000 0.441 427 I N 5.096 125.112 120.570 -0.923 0.000 2.722 427 I HA 0.727 4.897 4.170 -0.000 0.000 0.295 427 I C -1.858 173.594 176.117 -1.107 0.000 1.161 427 I CA -0.710 60.064 61.300 -0.877 0.000 1.032 427 I CB 1.989 39.440 38.000 -0.915 0.000 1.244 427 I HN 0.362 nan 8.210 nan 0.000 0.421 428 V N 6.889 126.245 119.914 -0.931 0.000 2.656 428 V HA 0.552 4.672 4.120 -0.000 0.000 0.307 428 V C -1.045 174.613 176.094 -0.727 0.000 1.051 428 V CA -0.498 61.330 62.300 -0.786 0.000 0.893 428 V CB 1.822 33.212 31.823 -0.722 0.000 0.999 428 V HN 0.480 nan 8.190 nan 0.000 0.426 429 F N 2.358 122.091 119.950 -0.362 0.000 2.532 429 F HA 0.598 5.125 4.527 -0.000 0.000 0.321 429 F C 0.096 175.686 175.800 -0.350 0.000 1.089 429 F CA -0.699 57.151 58.000 -0.250 0.000 0.926 429 F CB 1.988 40.841 39.000 -0.246 0.000 1.168 429 F HN 0.473 nan 8.300 nan 0.000 0.459 430 N N 1.632 120.300 118.700 -0.054 0.000 2.576 430 N HA 0.211 4.951 4.740 -0.000 0.000 0.269 430 N C -0.974 174.458 175.510 -0.130 0.000 1.058 430 N CA -0.275 52.681 53.050 -0.157 0.000 0.860 430 N CB 0.578 39.010 38.487 -0.091 0.000 1.249 430 N HN 0.558 nan 8.380 nan 0.000 0.525 431 N N 1.907 120.483 118.700 -0.206 0.000 2.275 431 N HA 0.184 4.924 4.740 -0.000 0.000 0.236 431 N C -1.043 174.291 175.510 -0.293 0.000 1.154 431 N CA -0.181 52.744 53.050 -0.208 0.000 0.866 431 N CB 0.338 38.694 38.487 -0.218 0.000 1.093 431 N HN 0.510 nan 8.380 nan 0.000 0.515 432 D N -0.597 119.534 120.400 -0.449 0.000 2.388 432 D HA 0.152 4.792 4.640 -0.000 0.000 0.254 432 D C -0.144 175.823 176.300 -0.556 0.000 1.111 432 D CA -0.128 53.421 54.000 -0.752 0.000 0.993 432 D CB 0.896 40.751 40.800 -1.576 0.000 1.118 432 D HN 0.086 nan 8.370 nan 0.000 0.502 433 D N 0.604 120.738 120.400 -0.442 0.000 2.434 433 D HA 0.134 4.774 4.640 -0.000 0.000 0.232 433 D C -0.203 176.224 176.300 0.212 0.000 1.166 433 D CA -0.027 53.959 54.000 -0.024 0.000 0.830 433 D CB -0.003 40.877 40.800 0.133 0.000 0.960 433 D HN 0.302 nan 8.370 nan 0.000 0.497 434 W N -1.145 120.190 121.300 0.059 0.000 3.118 434 W HA 0.501 5.161 4.660 -0.000 0.000 0.328 434 W C -0.505 176.074 176.519 0.099 0.000 1.239 434 W CA -1.011 56.376 57.345 0.070 0.000 1.176 434 W CB 0.021 29.520 29.460 0.065 0.000 1.433 434 W HN -0.414 nan 8.180 nan 0.000 0.562 435 S N 1.393 117.297 115.700 0.339 0.000 2.584 435 S HA 0.366 4.836 4.470 -0.000 0.000 0.270 435 S C -1.143 173.661 174.600 0.340 0.000 1.346 435 S CA -0.142 58.209 58.200 0.253 0.000 1.018 435 S CB 0.292 63.609 63.200 0.194 0.000 0.899 435 S HN 0.417 nan 8.310 nan 0.000 0.542 436 F N 1.823 121.837 119.950 0.107 0.000 2.477 436 F HA 0.557 5.084 4.527 -0.000 0.000 0.335 436 F C -0.154 175.693 175.800 0.077 0.000 1.130 436 F CA -0.469 57.591 58.000 0.099 0.000 0.948 436 F CB 1.450 40.475 39.000 0.041 0.000 1.154 436 F HN 0.411 nan 8.300 nan 0.000 0.439 437 S N 7.822 123.133 115.700 -0.648 0.000 2.571 437 S HA 0.724 5.194 4.470 -0.000 0.000 0.238 437 S C -2.021 172.174 174.600 -0.674 0.000 1.153 437 S CA -0.418 57.470 58.200 -0.520 0.000 1.141 437 S CB 0.328 63.488 63.200 -0.066 0.000 1.133 437 S HN 0.796 nan 8.310 nan 0.000 0.464 438 L N 3.247 123.835 121.223 -1.059 0.000 2.568 438 L HA 0.689 5.029 4.340 -0.000 0.000 0.257 438 L C -0.740 175.836 176.870 -0.490 0.000 1.024 438 L CA -0.055 54.405 54.840 -0.634 0.000 0.854 438 L CB 2.211 43.908 42.059 -0.604 0.000 1.460 438 L HN 0.474 nan 8.230 nan 0.000 0.409 439 T N 3.988 118.462 114.554 -0.133 0.000 2.744 439 T HA 0.636 4.986 4.350 -0.000 0.000 0.291 439 T C -0.716 173.976 174.700 -0.012 0.000 0.957 439 T CA -0.294 61.809 62.100 0.005 0.000 1.002 439 T CB 0.401 69.321 68.868 0.087 0.000 0.919 439 T HN 0.230 nan 8.240 nan 0.000 0.468 440 L N 2.896 124.166 121.223 0.078 0.000 2.333 440 L HA 0.549 4.889 4.340 -0.000 0.000 0.269 440 L C 0.195 177.043 176.870 -0.036 0.000 1.010 440 L CA -1.040 53.819 54.840 0.032 0.000 0.818 440 L CB 1.633 43.765 42.059 0.121 0.000 1.306 440 L HN 0.581 nan 8.230 nan 0.000 0.430 441 Q N 0.343 120.107 119.800 -0.061 0.000 2.288 441 Q HA 0.263 4.602 4.340 -0.000 0.000 0.258 441 Q C 0.620 176.407 176.000 -0.354 0.000 0.957 441 Q CA 0.232 55.964 55.803 -0.118 0.000 0.919 441 Q CB 1.221 29.947 28.738 -0.020 0.000 1.185 441 Q HN 0.767 nan 8.270 nan 0.000 0.408 442 T N 0.208 114.447 114.554 -0.524 0.000 3.015 442 T HA 0.288 4.638 4.350 -0.000 0.000 0.250 442 T C 1.289 175.781 174.700 -0.346 0.000 1.057 442 T CA 0.421 61.933 62.100 -0.979 0.000 1.066 442 T CB -0.064 68.248 68.868 -0.927 0.000 0.959 442 T HN 1.092 nan 8.240 nan 0.000 0.488 443 G N 1.158 109.858 108.800 -0.167 0.000 2.189 443 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.267 443 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.267 443 G C -0.193 174.684 174.900 -0.039 0.000 0.975 443 G CA 0.353 45.424 45.100 -0.048 0.000 0.644 443 G HN 0.585 nan 8.290 nan 0.000 0.537 444 L N 1.965 123.131 121.223 -0.096 0.000 2.379 444 L HA 0.603 4.943 4.340 -0.000 0.000 0.269 444 L C -1.290 175.595 176.870 0.025 0.000 1.084 444 L CA -2.258 52.549 54.840 -0.055 0.000 0.802 444 L CB 0.764 42.688 42.059 -0.225 0.000 1.175 444 L HN -0.027 nan 8.230 nan 0.000 0.448 445 P HA 0.180 nan 4.420 nan 0.000 0.274 445 P C -1.029 176.378 177.300 0.179 0.000 1.231 445 P CA -0.565 62.606 63.100 0.118 0.000 0.790 445 P CB 0.711 32.474 31.700 0.104 0.000 0.951 446 A N 1.793 124.676 122.820 0.105 0.000 2.555 446 A HA 0.459 4.779 4.320 -0.000 0.000 0.233 446 A C 0.886 178.532 177.584 0.104 0.000 1.060 446 A CA 1.228 53.328 52.037 0.105 0.000 0.759 446 A CB -1.128 17.902 19.000 0.050 0.000 0.995 446 A HN 0.933 nan 8.150 nan 0.000 0.506 447 G N -0.253 108.620 108.800 0.122 0.000 2.369 447 G HA2 0.445 4.405 3.960 -0.000 0.000 0.293 447 G HA3 0.445 4.405 3.960 -0.000 0.000 0.293 447 G C -0.755 174.173 174.900 0.046 0.000 1.301 447 G CA -0.176 44.921 45.100 -0.006 0.000 0.913 447 G HN 1.047 nan 8.290 nan 0.000 0.540 448 T N 0.988 115.476 114.554 -0.110 0.000 2.758 448 T HA 0.647 4.996 4.350 -0.000 0.000 0.285 448 T C -1.251 173.291 174.700 -0.263 0.000 0.981 448 T CA 0.062 62.115 62.100 -0.079 0.000 0.965 448 T CB 0.722 69.593 68.868 0.004 0.000 0.927 448 T HN 0.394 nan 8.240 nan 0.000 0.448 449 Y N 0.612 120.792 120.300 -0.201 0.000 2.429 449 Y HA 0.433 4.983 4.550 -0.000 0.000 0.342 449 Y C 0.464 176.247 175.900 -0.194 0.000 1.004 449 Y CA -1.222 56.776 58.100 -0.169 0.000 1.075 449 Y CB 0.961 39.345 38.460 -0.126 0.000 1.214 449 Y HN 0.570 nan 8.280 nan 0.000 0.455 450 c N 2.275 120.864 118.600 -0.018 0.000 2.514 450 c HA 0.164 4.734 4.570 -0.000 0.000 0.392 450 c C 0.390 174.455 174.090 -0.042 0.000 1.294 450 c CA -0.657 55.638 56.329 -0.058 0.000 1.957 450 c CB -0.453 42.017 42.510 -0.067 0.000 2.541 450 c HN 0.784 nan 8.230 nan 0.000 0.569 451 D N 1.623 121.993 120.400 -0.049 0.000 2.343 451 D HA 0.175 4.815 4.640 -0.000 0.000 0.255 451 D C 0.972 177.241 176.300 -0.052 0.000 1.187 451 D CA -0.317 53.657 54.000 -0.044 0.000 0.875 451 D CB 0.979 41.744 40.800 -0.058 0.000 1.136 451 D HN 0.429 nan 8.370 nan 0.000 0.469 452 V N 2.554 122.450 119.914 -0.031 0.000 3.573 452 V HA 0.020 4.140 4.120 -0.000 0.000 0.270 452 V C 1.443 177.514 176.094 -0.037 0.000 1.221 452 V CA 0.281 62.583 62.300 0.003 0.000 1.163 452 V CB -0.681 31.208 31.823 0.110 0.000 0.847 452 V HN 0.518 nan 8.190 nan 0.000 0.468 453 I N 2.140 122.622 120.570 -0.146 0.000 2.385 453 I HA -0.018 4.152 4.170 -0.000 0.000 0.244 453 I C 2.740 178.757 176.117 -0.167 0.000 1.089 453 I CA 1.907 63.055 61.300 -0.254 0.000 1.410 453 I CB -1.095 36.523 38.000 -0.635 0.000 1.117 453 I HN 0.574 nan 8.210 nan 0.000 0.429 454 S N -0.171 115.440 115.700 -0.148 0.000 2.470 454 S HA 0.240 4.710 4.470 -0.000 0.000 0.225 454 S C 1.083 175.653 174.600 -0.051 0.000 1.006 454 S CA 0.451 58.596 58.200 -0.093 0.000 0.934 454 S CB -0.069 63.081 63.200 -0.083 0.000 0.778 454 S HN 0.433 nan 8.310 nan 0.000 0.517 455 G N -0.288 108.486 108.800 -0.042 0.000 2.846 455 G HA2 0.568 4.528 3.960 -0.000 0.000 0.299 455 G HA3 0.568 4.528 3.960 -0.000 0.000 0.299 455 G C -2.174 172.725 174.900 -0.003 0.000 1.242 455 G CA -0.579 44.510 45.100 -0.019 0.000 0.800 455 G HN 0.195 nan 8.290 nan 0.000 0.538 456 D N -0.397 120.004 120.400 0.000 0.000 2.596 456 D HA 0.310 4.949 4.640 -0.000 0.000 0.234 456 D C -1.033 175.265 176.300 -0.004 0.000 1.181 456 D CA -0.536 53.471 54.000 0.011 0.000 0.856 456 D CB 2.885 43.703 40.800 0.028 0.000 1.498 456 D HN 0.342 nan 8.370 nan 0.000 0.446 457 K N 1.759 122.155 120.400 -0.006 0.000 2.227 457 K HA 0.461 4.780 4.320 -0.000 0.000 0.280 457 K C -0.932 175.665 176.600 -0.006 0.000 1.041 457 K CA -0.279 55.997 56.287 -0.019 0.000 0.905 457 K CB 0.462 32.942 32.500 -0.033 0.000 1.068 457 K HN 0.403 nan 8.250 nan 0.000 0.470 458 I N 6.017 126.583 120.570 -0.008 0.000 2.542 458 I HA 0.058 4.228 4.170 -0.000 0.000 0.278 458 I C -0.613 175.501 176.117 -0.006 0.000 1.069 458 I CA -0.839 60.461 61.300 -0.001 0.000 1.100 458 I CB 1.198 39.200 38.000 0.005 0.000 1.204 458 I HN 0.863 nan 8.210 nan 0.000 0.470 459 N N 4.399 123.095 118.700 -0.008 0.000 2.527 459 N HA -0.218 4.522 4.740 -0.000 0.000 0.293 459 N C 0.605 176.106 175.510 -0.015 0.000 1.283 459 N CA 0.918 53.962 53.050 -0.010 0.000 0.702 459 N CB -1.174 37.310 38.487 -0.006 0.000 0.937 459 N HN 1.100 nan 8.380 nan 0.000 0.536 460 G N 0.253 109.040 108.800 -0.023 0.000 2.175 460 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.265 460 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.265 460 G C -0.110 174.774 174.900 -0.026 0.000 0.979 460 G CA 0.852 45.935 45.100 -0.027 0.000 0.663 460 G HN 0.932 nan 8.290 nan 0.000 0.533 461 N N -1.428 117.257 118.700 -0.025 0.000 2.494 461 N HA 0.509 5.248 4.740 -0.000 0.000 0.270 461 N C -0.775 174.719 175.510 -0.027 0.000 1.285 461 N CA 0.042 53.079 53.050 -0.023 0.000 0.812 461 N CB 1.608 40.087 38.487 -0.013 0.000 1.557 461 N HN 0.138 nan 8.380 nan 0.000 0.487 462 c N 0.325 118.907 118.600 -0.030 0.000 2.376 462 c HA 0.450 5.019 4.570 -0.000 0.000 0.335 462 c C 1.993 176.069 174.090 -0.023 0.000 1.229 462 c CA -0.524 55.784 56.329 -0.034 0.000 1.867 462 c CB 0.685 43.163 42.510 -0.053 0.000 2.319 462 c HN 0.858 nan 8.230 nan 0.000 0.515 463 T N -0.802 113.741 114.554 -0.018 0.000 3.065 463 T HA 0.303 4.653 4.350 -0.000 0.000 0.252 463 T C 0.801 175.491 174.700 -0.016 0.000 1.099 463 T CA 0.698 62.791 62.100 -0.012 0.000 1.063 463 T CB 0.110 68.975 68.868 -0.004 0.000 0.948 463 T HN 0.874 nan 8.240 nan 0.000 0.506 464 G N 0.769 109.553 108.800 -0.026 0.000 3.252 464 G HA2 0.658 4.618 3.960 -0.000 0.000 0.181 464 G HA3 0.658 4.618 3.960 -0.000 0.000 0.181 464 G C -0.632 174.244 174.900 -0.040 0.000 1.187 464 G CA -1.286 43.795 45.100 -0.031 0.000 0.886 464 G HN 0.403 nan 8.290 nan 0.000 0.615 465 I N 0.697 121.239 120.570 -0.046 0.000 2.813 465 I HA 0.140 4.310 4.170 -0.000 0.000 0.287 465 I C 0.018 176.080 176.117 -0.092 0.000 1.196 465 I CA 0.666 61.934 61.300 -0.054 0.000 1.421 465 I CB 0.621 38.596 38.000 -0.042 0.000 1.365 465 I HN 0.195 nan 8.210 nan 0.000 0.591 466 K N 6.021 126.334 120.400 -0.145 0.000 2.324 466 K HA 0.623 4.943 4.320 -0.000 0.000 0.253 466 K C -1.196 175.131 176.600 -0.455 0.000 0.932 466 K CA -0.710 55.404 56.287 -0.288 0.000 0.799 466 K CB 2.326 34.627 32.500 -0.331 0.000 1.154 466 K HN 0.308 nan 8.250 nan 0.000 0.425 467 I N 2.915 123.207 120.570 -0.465 0.000 2.474 467 I HA 0.309 4.479 4.170 -0.000 0.000 0.294 467 I C -0.868 174.940 176.117 -0.516 0.000 1.005 467 I CA -0.889 60.132 61.300 -0.464 0.000 1.113 467 I CB 1.229 39.045 38.000 -0.306 0.000 1.289 467 I HN 0.551 nan 8.210 nan 0.000 0.436 468 Y N 4.324 124.569 120.300 -0.091 0.000 2.334 468 Y HA 0.457 5.006 4.550 -0.000 0.000 0.336 468 Y C 0.189 176.056 175.900 -0.056 0.000 0.960 468 Y CA -0.897 57.183 58.100 -0.033 0.000 1.164 468 Y CB 1.649 40.077 38.460 -0.053 0.000 1.155 468 Y HN 0.158 nan 8.280 nan 0.000 0.478 469 V N 3.893 123.901 119.914 0.158 0.000 2.407 469 V HA 0.379 4.498 4.120 -0.000 0.000 0.278 469 V C 0.276 176.416 176.094 0.077 0.000 1.037 469 V CA -0.757 61.585 62.300 0.070 0.000 0.900 469 V CB 1.220 33.102 31.823 0.098 0.000 0.983 469 V HN 0.917 nan 8.190 nan 0.000 0.459 470 S N 2.574 118.289 115.700 0.025 0.000 2.652 470 S HA 0.213 4.683 4.470 -0.000 0.000 0.267 470 S C 0.789 175.398 174.600 0.015 0.000 1.201 470 S CA -0.411 57.799 58.200 0.017 0.000 0.996 470 S CB 0.741 63.940 63.200 -0.003 0.000 1.054 470 S HN 0.644 nan 8.310 nan 0.000 0.561 471 D N 1.262 121.666 120.400 0.007 0.000 2.149 471 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 471 D C 1.046 177.349 176.300 0.004 0.000 0.990 471 D CA 1.676 55.680 54.000 0.007 0.000 0.839 471 D CB -0.551 40.250 40.800 0.002 0.000 0.948 471 D HN 0.841 nan 8.370 nan 0.000 0.460 472 D N -1.388 119.011 120.400 -0.002 0.000 2.319 472 D HA 0.194 4.834 4.640 -0.000 0.000 0.230 472 D C 1.428 177.719 176.300 -0.015 0.000 1.094 472 D CA 0.532 54.529 54.000 -0.004 0.000 0.856 472 D CB -0.150 40.648 40.800 -0.004 0.000 0.915 472 D HN 0.173 nan 8.370 nan 0.000 0.517 473 G N -0.014 108.774 108.800 -0.021 0.000 2.184 473 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.264 473 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.264 473 G C 0.241 175.086 174.900 -0.092 0.000 0.975 473 G CA 0.224 45.293 45.100 -0.052 0.000 0.642 473 G HN 0.467 nan 8.290 nan 0.000 0.536 474 K N 0.415 120.778 120.400 -0.061 0.000 2.154 474 K HA 0.711 5.030 4.320 -0.000 0.000 0.264 474 K C 0.249 176.804 176.600 -0.075 0.000 1.008 474 K CA 0.336 56.584 56.287 -0.065 0.000 0.937 474 K CB 1.465 33.947 32.500 -0.030 0.000 1.002 474 K HN 0.839 nan 8.250 nan 0.000 0.469 475 A N 1.484 124.254 122.820 -0.082 0.000 2.604 475 A HA 0.315 4.634 4.320 -0.000 0.000 0.295 475 A C -1.938 175.521 177.584 -0.210 0.000 1.067 475 A CA -0.706 51.221 52.037 -0.183 0.000 0.683 475 A CB 1.041 19.828 19.000 -0.355 0.000 1.281 475 A HN 0.841 nan 8.150 nan 0.000 0.407 476 H N 0.135 118.984 119.070 -0.369 0.000 2.458 476 H HA 0.734 5.290 4.556 -0.000 0.000 0.330 476 H C -1.523 173.523 175.328 -0.469 0.000 1.111 476 H CA -0.114 55.774 56.048 -0.266 0.000 1.245 476 H CB 0.565 30.236 29.762 -0.152 0.000 1.456 476 H HN 0.432 nan 8.280 nan 0.000 0.488 477 F N 1.962 121.633 119.950 -0.465 0.000 2.532 477 F HA 0.479 5.006 4.527 -0.000 0.000 0.321 477 F C -0.225 175.411 175.800 -0.273 0.000 1.089 477 F CA -0.701 57.194 58.000 -0.174 0.000 0.926 477 F CB 2.292 41.341 39.000 0.082 0.000 1.168 477 F HN 0.398 nan 8.300 nan 0.000 0.459 478 S N 3.655 119.436 115.700 0.135 0.000 2.733 478 S HA 0.704 5.173 4.470 -0.000 0.000 0.294 478 S C -0.912 173.794 174.600 0.177 0.000 1.149 478 S CA -0.468 57.797 58.200 0.109 0.000 1.034 478 S CB 0.766 64.037 63.200 0.118 0.000 1.015 478 S HN 0.427 nan 8.310 nan 0.000 0.486 479 I N 2.912 123.624 120.570 0.237 0.000 2.468 479 I HA 0.345 4.515 4.170 -0.000 0.000 0.285 479 I C 0.182 176.399 176.117 0.167 0.000 1.039 479 I CA -0.572 60.842 61.300 0.189 0.000 1.074 479 I CB 2.069 40.184 38.000 0.193 0.000 1.228 479 I HN 0.590 nan 8.210 nan 0.000 0.436 480 S N 4.025 119.794 115.700 0.114 0.000 2.586 480 S HA 0.183 4.653 4.470 -0.000 0.000 0.274 480 S C 1.048 175.695 174.600 0.078 0.000 1.281 480 S CA -0.785 57.477 58.200 0.104 0.000 1.035 480 S CB 1.054 64.305 63.200 0.085 0.000 0.962 480 S HN 0.743 nan 8.310 nan 0.000 0.512 481 N N 1.946 120.686 118.700 0.066 0.000 2.635 481 N HA -0.087 4.653 4.740 -0.000 0.000 0.191 481 N C 0.450 175.983 175.510 0.039 0.000 1.155 481 N CA 0.472 53.539 53.050 0.029 0.000 0.927 481 N CB -0.396 38.095 38.487 0.007 0.000 0.976 481 N HN 0.498 nan 8.380 nan 0.000 0.448 482 S N -0.542 115.188 115.700 0.051 0.000 2.539 482 S HA 0.326 4.796 4.470 -0.000 0.000 0.221 482 S C 0.880 175.505 174.600 0.041 0.000 0.987 482 S CA -0.354 57.873 58.200 0.045 0.000 0.929 482 S CB 0.332 63.560 63.200 0.047 0.000 0.832 482 S HN 0.622 nan 8.310 nan 0.000 0.492 483 A N 2.253 125.100 122.820 0.045 0.000 2.483 483 A HA 0.146 4.466 4.320 -0.000 0.000 0.238 483 A C 1.402 179.009 177.584 0.038 0.000 1.070 483 A CA -0.022 52.037 52.037 0.038 0.000 0.770 483 A CB 0.158 19.181 19.000 0.039 0.000 1.008 483 A HN 0.580 nan 8.150 nan 0.000 0.497 484 E N 0.957 121.172 120.200 0.025 0.000 2.085 484 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 484 E C -0.591 176.041 176.600 0.053 0.000 0.994 484 E CA 1.489 57.905 56.400 0.026 0.000 0.801 484 E CB -0.060 29.642 29.700 0.004 0.000 0.743 484 E HN 0.586 nan 8.360 nan 0.000 0.453 485 D N 1.631 122.057 120.400 0.043 0.000 2.440 485 D HA 0.129 4.769 4.640 -0.000 0.000 0.252 485 D C -2.167 174.197 176.300 0.108 0.000 1.180 485 D CA -1.739 52.319 54.000 0.098 0.000 0.894 485 D CB 1.702 42.472 40.800 -0.049 0.000 1.111 485 D HN 0.124 nan 8.370 nan 0.000 0.544 486 P HA 0.030 nan 4.420 nan 0.000 0.285 486 P C -0.673 176.781 177.300 0.258 0.000 1.521 486 P CA 0.001 63.208 63.100 0.177 0.000 0.792 486 P CB -0.757 31.015 31.700 0.120 0.000 1.613 487 F N -1.686 118.207 119.950 -0.096 0.000 2.654 487 F HA 0.655 5.182 4.527 -0.000 0.000 0.308 487 F C -1.553 174.097 175.800 -0.250 0.000 1.108 487 F CA -2.330 55.511 58.000 -0.266 0.000 0.957 487 F CB 0.699 39.428 39.000 -0.452 0.000 1.309 487 F HN -0.332 nan 8.300 nan 0.000 0.446 488 I N 2.245 122.614 120.570 -0.336 0.000 2.545 488 I HA 0.799 4.969 4.170 -0.000 0.000 0.292 488 I C -0.794 175.150 176.117 -0.287 0.000 1.040 488 I CA -1.154 59.977 61.300 -0.282 0.000 1.068 488 I CB 2.068 40.056 38.000 -0.021 0.000 1.251 488 I HN 1.016 nan 8.210 nan 0.000 0.424 489 A N 7.545 130.245 122.820 -0.201 0.000 2.398 489 A HA 0.893 5.213 4.320 -0.000 0.000 0.301 489 A C -0.893 176.756 177.584 0.109 0.000 1.041 489 A CA -0.480 51.508 52.037 -0.082 0.000 0.711 489 A CB 1.285 20.173 19.000 -0.186 0.000 1.240 489 A HN 0.714 nan 8.150 nan 0.000 0.420 490 I N 0.174 120.872 120.570 0.212 0.000 2.730 490 I HA 0.920 5.090 4.170 -0.000 0.000 0.298 490 I C -0.688 175.527 176.117 0.163 0.000 1.089 490 I CA -0.907 60.464 61.300 0.118 0.000 1.041 490 I CB 2.342 40.346 38.000 0.008 0.000 1.235 490 I HN 0.929 nan 8.210 nan 0.000 0.423 491 H N 2.937 122.071 119.070 0.106 0.000 2.977 491 H HA 0.745 5.301 4.556 -0.000 0.000 0.350 491 H C 0.517 175.911 175.328 0.111 0.000 1.238 491 H CA -0.393 55.631 56.048 -0.039 0.000 1.124 491 H CB 1.315 30.886 29.762 -0.318 0.000 1.866 491 H HN 0.677 nan 8.280 nan 0.000 0.550 492 A N 0.254 123.222 122.820 0.247 0.000 2.009 492 A HA -0.231 4.089 4.320 -0.000 0.000 0.222 492 A C 1.514 179.205 177.584 0.178 0.000 1.175 492 A CA 2.095 54.263 52.037 0.217 0.000 0.651 492 A CB -0.659 18.408 19.000 0.112 0.000 0.815 492 A HN 0.736 nan 8.150 nan 0.000 0.459 493 E N -0.326 120.074 120.200 0.332 0.000 2.465 493 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 493 E C 1.382 177.986 176.600 0.007 0.000 1.053 493 E CA 0.797 57.314 56.400 0.195 0.000 0.869 493 E CB 0.017 29.877 29.700 0.267 0.000 0.977 493 E HN 0.750 nan 8.360 nan 0.000 0.483 494 S N -0.243 115.311 115.700 -0.244 0.000 2.554 494 S HA 0.138 4.608 4.470 -0.000 0.000 0.226 494 S C 0.750 175.263 174.600 -0.145 0.000 0.980 494 S CA -0.489 57.555 58.200 -0.259 0.000 0.939 494 S CB 0.219 63.138 63.200 -0.468 0.000 0.832 494 S HN -0.100 nan 8.310 nan 0.000 0.486 495 K N 2.121 122.412 120.400 -0.180 0.000 2.326 495 K HA 0.400 4.719 4.320 -0.000 0.000 0.275 495 K C -0.205 176.218 176.600 -0.295 0.000 1.018 495 K CA -0.490 55.516 56.287 -0.469 0.000 0.962 495 K CB 0.272 32.421 32.500 -0.586 0.000 0.953 495 K HN 0.318 nan 8.250 nan 0.000 0.475 496 L N 0.000 121.042 121.223 -0.301 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.736 54.840 -0.173 0.000 0.813 496 L CB 0.000 41.982 42.059 -0.128 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502