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 1u2y_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.942 175.900 0.070 0.000 1.272 2 Y CA 0.000 58.180 58.100 0.133 0.000 1.940 2 Y CB 0.000 38.479 38.460 0.032 0.000 1.050 3 S N 3.391 119.137 115.700 0.076 0.000 2.513 3 S HA 0.210 4.680 4.470 -0.000 0.000 0.276 3 S C -1.839 172.467 174.600 -0.490 0.000 1.254 3 S CA -0.881 57.209 58.200 -0.184 0.000 1.053 3 S CB 1.342 64.487 63.200 -0.091 0.000 0.958 3 S HN -0.019 nan 8.310 nan 0.000 0.491 4 P HA -0.008 nan 4.420 nan 0.000 0.223 4 P C 0.074 177.131 177.300 -0.404 0.000 1.151 4 P CA 0.528 62.733 63.100 -1.491 0.000 0.787 4 P CB 0.003 30.688 31.700 -1.692 0.000 0.788 5 N N -2.561 116.012 118.700 -0.212 0.000 2.829 5 N HA -0.103 4.637 4.740 -0.000 0.000 0.250 5 N C -0.046 175.532 175.510 0.113 0.000 1.090 5 N CA 1.445 54.507 53.050 0.021 0.000 0.781 5 N CB -2.284 36.231 38.487 0.046 0.000 1.124 5 N HN 0.321 nan 8.380 nan 0.000 0.559 6 T N -2.371 112.203 114.554 0.033 0.000 2.788 6 T HA 0.250 4.600 4.350 -0.000 0.000 0.287 6 T C 0.523 175.252 174.700 0.049 0.000 1.007 6 T CA -0.431 61.719 62.100 0.083 0.000 1.005 6 T CB 1.722 70.656 68.868 0.109 0.000 1.012 6 T HN 0.166 nan 8.240 nan 0.000 0.530 7 Q N 0.567 120.388 119.800 0.035 0.000 2.332 7 Q HA 0.089 4.429 4.340 -0.000 0.000 0.263 7 Q C 0.204 176.210 176.000 0.011 0.000 0.979 7 Q CA -0.289 55.520 55.803 0.010 0.000 0.885 7 Q CB 0.564 29.298 28.738 -0.006 0.000 1.218 7 Q HN 0.681 nan 8.270 nan 0.000 0.405 8 Q N 1.680 121.483 119.800 0.004 0.000 2.308 8 Q HA -0.014 4.326 4.340 -0.000 0.000 0.313 8 Q C 0.507 176.503 176.000 -0.007 0.000 1.075 8 Q CA 1.346 57.149 55.803 -0.001 0.000 0.995 8 Q CB 0.017 28.753 28.738 -0.003 0.000 1.107 8 Q HN 0.985 nan 8.270 nan 0.000 0.380 9 G N 3.830 112.624 108.800 -0.010 0.000 2.194 9 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.236 9 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.236 9 G C -0.199 174.682 174.900 -0.032 0.000 0.987 9 G CA -0.059 45.026 45.100 -0.025 0.000 0.635 9 G HN 0.596 nan 8.290 nan 0.000 0.520 10 R N 0.719 121.214 120.500 -0.009 0.000 2.310 10 R HA 0.538 4.878 4.340 -0.000 0.000 0.324 10 R C 0.959 177.272 176.300 0.022 0.000 0.955 10 R CA 0.230 56.324 56.100 -0.011 0.000 0.830 10 R CB 1.086 31.397 30.300 0.020 0.000 1.154 10 R HN 0.295 nan 8.270 nan 0.000 0.458 11 T N -2.522 112.006 114.554 -0.044 0.000 3.085 11 T HA 0.237 4.587 4.350 -0.000 0.000 0.264 11 T C 0.401 174.886 174.700 -0.358 0.000 1.019 11 T CA -0.212 61.850 62.100 -0.063 0.000 0.910 11 T CB 0.397 69.215 68.868 -0.083 0.000 1.059 11 T HN 0.257 nan 8.240 nan 0.000 0.542 12 S N 1.142 116.656 115.700 -0.310 0.000 2.588 12 S HA 0.785 5.255 4.470 -0.000 0.000 0.275 12 S C -0.820 173.696 174.600 -0.141 0.000 1.130 12 S CA -1.092 56.834 58.200 -0.457 0.000 0.855 12 S CB 1.819 64.825 63.200 -0.325 0.000 1.116 12 S HN 0.593 nan 8.310 nan 0.000 0.472 13 I N -1.095 119.403 120.570 -0.121 0.000 2.846 13 I HA 0.937 5.106 4.170 -0.000 0.000 0.307 13 I C -1.029 175.141 176.117 0.088 0.000 1.053 13 I CA -1.069 60.287 61.300 0.093 0.000 1.050 13 I CB 1.814 39.883 38.000 0.114 0.000 1.239 13 I HN 0.446 nan 8.210 nan 0.000 0.439 14 V N 3.145 123.123 119.914 0.107 0.000 2.604 14 V HA 0.432 4.552 4.120 -0.000 0.000 0.305 14 V C -1.177 174.930 176.094 0.021 0.000 1.043 14 V CA -0.355 61.963 62.300 0.030 0.000 0.888 14 V CB 1.662 33.413 31.823 -0.120 0.000 0.995 14 V HN 0.888 nan 8.190 nan 0.000 0.429 15 H N 6.730 125.751 119.070 -0.081 0.000 2.820 15 H HA 0.419 4.975 4.556 -0.000 0.000 0.278 15 H C -0.384 174.868 175.328 -0.128 0.000 1.142 15 H CA -0.539 55.484 56.048 -0.041 0.000 1.346 15 H CB 0.454 30.223 29.762 0.012 0.000 1.438 15 H HN 0.617 nan 8.280 nan 0.000 0.473 16 L N 6.962 128.057 121.223 -0.214 0.000 2.423 16 L HA 0.092 4.432 4.340 -0.000 0.000 0.249 16 L C 0.087 176.813 176.870 -0.240 0.000 1.276 16 L CA -0.622 53.791 54.840 -0.711 0.000 1.199 16 L CB -0.719 40.618 42.059 -1.203 0.000 1.407 16 L HN 0.461 nan 8.230 nan 0.000 0.410 17 F N 4.372 124.067 119.950 -0.424 0.000 2.571 17 F HA -0.041 4.486 4.527 -0.000 0.000 0.390 17 F C 1.369 177.386 175.800 0.362 0.000 1.043 17 F CA 0.234 58.073 58.000 -0.269 0.000 1.164 17 F CB -0.144 38.615 39.000 -0.401 0.000 1.049 17 F HN 0.516 nan 8.300 nan 0.000 0.552 18 E N 2.412 122.639 120.200 0.045 0.000 3.496 18 E HA -0.303 4.047 4.350 -0.000 0.000 0.300 18 E C -0.489 176.232 176.600 0.202 0.000 0.877 18 E CA 0.903 57.310 56.400 0.011 0.000 1.050 18 E CB -1.699 27.875 29.700 -0.211 0.000 1.532 18 E HN 0.626 nan 8.360 nan 0.000 0.447 19 W N 1.582 122.827 121.300 -0.091 0.000 2.150 19 W HA 0.190 4.850 4.660 -0.000 0.000 0.341 19 W C 1.508 177.878 176.519 -0.248 0.000 1.276 19 W CA 0.042 57.229 57.345 -0.264 0.000 1.238 19 W CB 0.268 29.579 29.460 -0.248 0.000 1.128 19 W HN -0.096 nan 8.180 nan 0.000 0.581 20 R N 1.667 122.105 120.500 -0.102 0.000 2.531 20 R HA 0.110 4.450 4.340 -0.000 0.000 0.273 20 R C 1.041 177.390 176.300 0.082 0.000 1.070 20 R CA -0.410 55.564 56.100 -0.210 0.000 1.112 20 R CB 0.566 30.756 30.300 -0.183 0.000 1.049 20 R HN 0.692 nan 8.270 nan 0.000 0.508 21 W N 0.694 122.048 121.300 0.089 0.000 2.338 21 W HA -0.236 4.424 4.660 -0.000 0.000 0.304 21 W C 1.974 178.514 176.519 0.034 0.000 1.212 21 W CA 0.266 57.656 57.345 0.076 0.000 1.264 21 W CB -0.310 29.214 29.460 0.107 0.000 1.142 21 W HN 0.443 nan 8.180 nan 0.000 0.512 22 V N 1.080 121.139 119.914 0.242 0.000 2.407 22 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 22 V C 1.744 177.893 176.094 0.091 0.000 1.055 22 V CA 2.412 64.789 62.300 0.128 0.000 1.049 22 V CB -0.528 31.337 31.823 0.071 0.000 0.662 22 V HN 0.075 nan 8.190 nan 0.000 0.455 23 D N -0.139 120.304 120.400 0.071 0.000 2.149 23 D HA -0.064 4.576 4.640 -0.000 0.000 0.201 23 D C 2.073 178.508 176.300 0.225 0.000 0.972 23 D CA 1.724 55.753 54.000 0.048 0.000 0.835 23 D CB -0.052 40.647 40.800 -0.169 0.000 0.966 23 D HN 0.517 nan 8.370 nan 0.000 0.476 24 I N 1.254 121.996 120.570 0.285 0.000 2.315 24 I HA -0.205 3.964 4.170 -0.000 0.000 0.248 24 I C 2.544 178.714 176.117 0.088 0.000 1.117 24 I CA 0.663 62.089 61.300 0.210 0.000 1.404 24 I CB -0.179 37.938 38.000 0.195 0.000 1.071 24 I HN -0.101 nan 8.210 nan 0.000 0.419 25 A N 1.199 124.066 122.820 0.078 0.000 1.877 25 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 25 A C 2.305 179.908 177.584 0.031 0.000 1.186 25 A CA 1.460 53.509 52.037 0.020 0.000 0.620 25 A CB -0.846 18.167 19.000 0.021 0.000 0.822 25 A HN 0.362 nan 8.150 nan 0.000 0.443 26 L N -1.121 120.137 121.223 0.058 0.000 2.046 26 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 26 L C 2.678 179.595 176.870 0.080 0.000 1.077 26 L CA 1.764 56.639 54.840 0.058 0.000 0.747 26 L CB -0.457 41.633 42.059 0.052 0.000 0.896 26 L HN 0.454 nan 8.230 nan 0.000 0.432 27 E N -0.321 119.948 120.200 0.115 0.000 2.110 27 E HA -0.217 4.132 4.350 -0.000 0.000 0.193 27 E C 2.261 178.908 176.600 0.079 0.000 0.988 27 E CA 1.534 58.015 56.400 0.135 0.000 0.804 27 E CB -0.266 29.535 29.700 0.168 0.000 0.745 27 E HN 0.428 nan 8.360 nan 0.000 0.458 28 c N 0.619 119.232 118.600 0.021 0.000 2.413 28 c HA -0.130 4.440 4.570 -0.000 0.000 0.276 28 c C 2.350 176.450 174.090 0.017 0.000 1.236 28 c CA 1.302 57.626 56.329 -0.009 0.000 1.735 28 c CB -0.914 41.565 42.510 -0.051 0.000 2.031 28 c HN 0.546 nan 8.230 nan 0.000 0.474 29 E N 0.420 120.636 120.200 0.026 0.000 2.046 29 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 29 E C 2.321 178.953 176.600 0.054 0.000 0.982 29 E CA 0.967 57.385 56.400 0.030 0.000 0.800 29 E CB -0.279 29.435 29.700 0.024 0.000 0.756 29 E HN 0.712 nan 8.360 nan 0.000 0.449 30 R N -0.869 119.682 120.500 0.086 0.000 2.246 30 R HA -0.010 4.330 4.340 -0.000 0.000 0.199 30 R C 1.212 177.626 176.300 0.190 0.000 0.984 30 R CA 0.969 57.139 56.100 0.116 0.000 1.015 30 R CB 0.059 30.429 30.300 0.116 0.000 0.930 30 R HN 0.226 nan 8.270 nan 0.000 0.475 31 Y N 0.100 120.421 120.300 0.035 0.000 3.087 31 Y HA 0.262 4.812 4.550 -0.000 0.000 0.227 31 Y C 1.787 177.717 175.900 0.050 0.000 1.015 31 Y CA -0.208 57.919 58.100 0.045 0.000 1.399 31 Y CB 0.178 38.660 38.460 0.037 0.000 1.483 31 Y HN -0.166 nan 8.280 nan 0.000 0.420 32 L N 0.546 121.836 121.223 0.112 0.000 2.013 32 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 32 L C 2.615 179.550 176.870 0.109 0.000 1.073 32 L CA 1.741 56.598 54.840 0.029 0.000 0.753 32 L CB -1.023 41.005 42.059 -0.052 0.000 0.890 32 L HN 0.393 nan 8.230 nan 0.000 0.432 33 A N 0.280 123.129 122.820 0.048 0.000 1.858 33 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 33 A C 0.167 177.761 177.584 0.017 0.000 1.190 33 A CA 1.580 53.637 52.037 0.034 0.000 0.617 33 A CB -1.817 17.189 19.000 0.010 0.000 0.827 33 A HN 0.289 nan 8.150 nan 0.000 0.443 34 P HA -0.119 nan 4.420 nan 0.000 0.216 34 P C 0.810 178.075 177.300 -0.058 0.000 1.150 34 P CA 1.359 64.438 63.100 -0.036 0.000 0.837 34 P CB 0.001 31.673 31.700 -0.046 0.000 0.786 35 K N -1.691 118.657 120.400 -0.087 0.000 2.444 35 K HA 0.291 4.611 4.320 -0.000 0.000 0.193 35 K C 1.157 177.753 176.600 -0.006 0.000 1.024 35 K CA 0.673 56.924 56.287 -0.060 0.000 1.077 35 K CB -0.803 31.618 32.500 -0.131 0.000 0.833 35 K HN 0.120 nan 8.250 nan 0.000 0.517 36 G N 0.495 109.313 108.800 0.030 0.000 2.137 36 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.237 36 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.237 36 G C -0.296 174.573 174.900 -0.051 0.000 1.002 36 G CA -0.463 44.621 45.100 -0.028 0.000 0.702 36 G HN 0.172 nan 8.290 nan 0.000 0.515 37 F N 0.493 120.425 119.950 -0.030 0.000 2.443 37 F HA 0.506 5.033 4.527 -0.000 0.000 0.353 37 F C 1.820 177.623 175.800 0.006 0.000 1.101 37 F CA 0.859 58.855 58.000 -0.007 0.000 1.226 37 F CB 1.353 40.360 39.000 0.012 0.000 1.140 37 F HN 0.004 nan 8.300 nan 0.000 0.557 38 G N 1.454 110.354 108.800 0.166 0.000 2.408 38 G HA2 0.381 4.341 3.960 -0.000 0.000 0.215 38 G HA3 0.381 4.341 3.960 -0.000 0.000 0.215 38 G C 0.508 175.539 174.900 0.219 0.000 1.156 38 G CA 0.707 45.908 45.100 0.167 0.000 0.793 38 G HN 1.019 nan 8.290 nan 0.000 0.535 39 G N -2.141 106.820 108.800 0.267 0.000 2.488 39 G HA2 0.461 4.421 3.960 -0.000 0.000 0.301 39 G HA3 0.461 4.421 3.960 -0.000 0.000 0.301 39 G C -2.195 172.846 174.900 0.234 0.000 1.339 39 G CA -0.228 45.040 45.100 0.281 0.000 0.803 39 G HN 0.489 nan 8.290 nan 0.000 0.482 40 V N 0.330 120.365 119.914 0.202 0.000 2.638 40 V HA 0.578 4.698 4.120 -0.000 0.000 0.306 40 V C -0.207 176.034 176.094 0.245 0.000 1.052 40 V CA -0.673 61.700 62.300 0.122 0.000 0.885 40 V CB 1.667 33.465 31.823 -0.040 0.000 0.999 40 V HN 0.867 nan 8.190 nan 0.000 0.424 41 Q N 3.342 123.290 119.800 0.247 0.000 2.303 41 Q HA 0.637 4.977 4.340 -0.000 0.000 0.257 41 Q C -0.669 175.512 176.000 0.302 0.000 0.941 41 Q CA -0.463 55.506 55.803 0.278 0.000 0.931 41 Q CB 1.827 30.660 28.738 0.159 0.000 1.215 41 Q HN 0.808 nan 8.270 nan 0.000 0.437 42 V N 1.109 121.193 119.914 0.285 0.000 2.966 42 V HA 0.602 4.722 4.120 -0.000 0.000 0.317 42 V C 0.077 176.442 176.094 0.452 0.000 1.070 42 V CA -0.833 61.704 62.300 0.394 0.000 1.008 42 V CB 1.665 33.702 31.823 0.357 0.000 1.070 42 V HN 0.771 nan 8.190 nan 0.000 0.457 43 S N 2.605 118.629 115.700 0.540 0.000 2.600 43 S HA 0.368 4.838 4.470 -0.000 0.000 0.265 43 S C -2.395 172.426 174.600 0.369 0.000 1.325 43 S CA -0.440 58.023 58.200 0.438 0.000 1.002 43 S CB 0.282 63.689 63.200 0.345 0.000 0.921 43 S HN 0.839 nan 8.310 nan 0.000 0.554 44 P HA 0.017 nan 4.420 nan 0.000 0.258 44 P C -1.899 175.542 177.300 0.234 0.000 1.172 44 P CA -0.560 62.618 63.100 0.130 0.000 0.762 44 P CB 0.075 31.718 31.700 -0.096 0.000 0.764 45 P HA -0.025 nan 4.420 nan 0.000 0.255 45 P C -0.303 177.084 177.300 0.146 0.000 1.248 45 P CA 0.488 63.757 63.100 0.282 0.000 0.807 45 P CB 0.264 31.869 31.700 -0.158 0.000 1.150 46 N N 0.515 119.282 118.700 0.111 0.000 2.508 46 N HA 0.064 4.804 4.740 -0.000 0.000 0.285 46 N C -0.222 175.263 175.510 -0.041 0.000 1.144 46 N CA -0.498 52.562 53.050 0.018 0.000 0.978 46 N CB 1.393 39.830 38.487 -0.083 0.000 1.180 46 N HN -0.047 nan 8.380 nan 0.000 0.484 47 E N 0.574 120.728 120.200 -0.077 0.000 2.529 47 E HA -0.101 4.249 4.350 -0.000 0.000 0.259 47 E C -0.396 176.112 176.600 -0.153 0.000 0.966 47 E CA 0.056 56.396 56.400 -0.100 0.000 0.937 47 E CB 0.268 29.908 29.700 -0.101 0.000 0.923 47 E HN 0.732 nan 8.360 nan 0.000 0.468 48 N N 1.979 120.591 118.700 -0.147 0.000 2.577 48 N HA 0.259 4.998 4.740 -0.000 0.000 0.285 48 N C -0.880 174.506 175.510 -0.206 0.000 1.309 48 N CA -0.771 52.174 53.050 -0.174 0.000 0.798 48 N CB 1.040 39.447 38.487 -0.133 0.000 1.463 48 N HN 0.177 nan 8.380 nan 0.000 0.518 49 V N 0.225 120.009 119.914 -0.217 0.000 2.637 49 V HA 0.330 4.450 4.120 -0.000 0.000 0.296 49 V C 0.681 176.698 176.094 -0.128 0.000 1.046 49 V CA -0.560 61.630 62.300 -0.185 0.000 1.066 49 V CB 0.611 32.377 31.823 -0.096 0.000 0.968 49 V HN 0.843 nan 8.190 nan 0.000 0.483 50 A N 6.890 129.662 122.820 -0.080 0.000 2.316 50 A HA 0.637 4.957 4.320 -0.000 0.000 0.311 50 A C -0.284 177.140 177.584 -0.265 0.000 1.339 50 A CA -0.338 51.570 52.037 -0.214 0.000 0.960 50 A CB -0.306 18.638 19.000 -0.094 0.000 1.152 50 A HN 0.764 nan 8.150 nan 0.000 0.547 51 I N 2.506 122.829 120.570 -0.412 0.000 2.331 51 I HA 0.207 4.377 4.170 -0.000 0.000 0.292 51 I C -0.124 175.669 176.117 -0.541 0.000 0.998 51 I CA -0.097 61.008 61.300 -0.325 0.000 1.267 51 I CB 1.161 38.993 38.000 -0.280 0.000 1.386 51 I HN 0.784 nan 8.210 nan 0.000 0.476 52 Y N 3.368 123.610 120.300 -0.096 0.000 2.444 52 Y HA 0.169 4.719 4.550 -0.001 0.000 0.249 52 Y C 0.683 176.584 175.900 0.001 0.000 1.134 52 Y CA -0.277 57.806 58.100 -0.028 0.000 1.261 52 Y CB 0.319 38.811 38.460 0.054 0.000 1.143 52 Y HN 0.522 nan 8.280 nan 0.000 0.523 53 N N 1.479 120.199 118.700 0.032 0.000 2.609 53 N HA 0.229 4.969 4.740 -0.000 0.000 0.268 53 N C -2.905 172.537 175.510 -0.113 0.000 1.106 53 N CA -1.812 51.216 53.050 -0.037 0.000 0.823 53 N CB 1.086 39.582 38.487 0.015 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 -0.508 176.612 177.300 -0.300 0.000 1.250 54 P CA -0.364 62.398 63.100 -0.563 0.000 0.793 54 P CB 0.580 31.457 31.700 -1.370 0.000 1.011 55 F N 2.643 122.429 119.950 -0.272 0.000 2.502 55 F HA 0.093 4.620 4.527 -0.001 0.000 0.361 55 F C 0.745 176.517 175.800 -0.047 0.000 1.157 55 F CA -0.147 57.822 58.000 -0.051 0.000 1.096 55 F CB -0.268 38.792 39.000 0.100 0.000 1.141 55 F HN 0.224 nan 8.300 nan 0.000 0.579 56 R N 3.621 123.647 120.500 -0.789 0.000 3.092 56 R HA -0.161 4.179 4.340 -0.000 0.000 0.245 56 R C -2.616 173.415 176.300 -0.448 0.000 0.881 56 R CA 0.283 55.932 56.100 -0.751 0.000 0.614 56 R CB -2.387 27.339 30.300 -0.957 0.000 1.128 56 R HN 0.418 nan 8.270 nan 0.000 0.483 57 P HA -0.031 nan 4.420 nan 0.000 0.272 57 P C 1.489 178.443 177.300 -0.577 0.000 1.230 57 P CA -0.473 62.261 63.100 -0.609 0.000 0.788 57 P CB 0.257 31.052 31.700 -1.509 0.000 0.949 58 W N 2.977 124.126 121.300 -0.251 0.000 2.374 58 W HA -0.116 4.544 4.660 -0.001 0.000 0.288 58 W C 1.651 178.261 176.519 0.152 0.000 1.218 58 W CA 0.832 58.176 57.345 -0.001 0.000 1.245 58 W CB -1.848 27.784 29.460 0.286 0.000 1.126 58 W HN 0.465 nan 8.180 nan 0.000 0.545 59 W N 3.426 124.197 121.300 -0.882 0.000 2.961 59 W HA 0.024 4.684 4.660 -0.000 0.000 0.240 59 W C 1.533 177.945 176.519 -0.177 0.000 1.305 59 W CA 0.884 57.817 57.345 -0.686 0.000 1.465 59 W CB -1.406 27.278 29.460 -1.293 0.000 1.135 59 W HN 0.224 nan 8.180 nan 0.000 0.688 60 E N 1.797 121.899 120.200 -0.164 0.000 2.268 60 E HA -0.149 4.200 4.350 -0.000 0.000 0.195 60 E C 1.784 178.379 176.600 -0.008 0.000 0.995 60 E CA 0.723 57.079 56.400 -0.073 0.000 0.836 60 E CB -0.525 29.000 29.700 -0.291 0.000 0.763 60 E HN 0.248 nan 8.360 nan 0.000 0.491 61 R N -0.367 120.129 120.500 -0.005 0.000 2.339 61 R HA -0.015 4.325 4.340 -0.000 0.000 0.199 61 R C 0.329 176.452 176.300 -0.296 0.000 1.018 61 R CA 0.606 56.627 56.100 -0.133 0.000 1.036 61 R CB -0.024 30.187 30.300 -0.147 0.000 0.899 61 R HN 0.314 nan 8.270 nan 0.000 0.473 62 Y N 0.269 120.678 120.300 0.181 0.000 2.658 62 Y HA 0.221 4.771 4.550 -0.000 0.000 0.276 62 Y C 0.099 176.151 175.900 0.253 0.000 1.167 62 Y CA -0.102 58.144 58.100 0.243 0.000 1.230 62 Y CB 0.647 39.287 38.460 0.299 0.000 1.144 62 Y HN -0.103 nan 8.280 nan 0.000 0.529 63 Q N 1.085 120.994 119.800 0.182 0.000 2.932 63 Q HA 0.282 4.622 4.340 -0.000 0.000 0.248 63 Q C -2.753 173.246 176.000 -0.002 0.000 0.982 63 Q CA -2.040 53.847 55.803 0.140 0.000 0.730 63 Q CB 1.486 30.295 28.738 0.118 0.000 1.249 63 Q HN 0.067 nan 8.270 nan 0.000 0.476 64 P HA -0.042 nan 4.420 nan 0.000 0.269 64 P C 0.124 177.291 177.300 -0.221 0.000 1.209 64 P CA 0.099 63.099 63.100 -0.167 0.000 0.776 64 P CB 1.206 32.786 31.700 -0.201 0.000 0.876 65 V N 0.427 120.175 119.914 -0.276 0.000 3.473 65 V HA 0.127 4.247 4.120 -0.000 0.000 0.253 65 V C 0.680 176.673 176.094 -0.169 0.000 1.340 65 V CA 1.337 63.498 62.300 -0.230 0.000 1.103 65 V CB 0.539 32.074 31.823 -0.480 0.000 0.881 65 V HN 0.825 nan 8.190 nan 0.000 0.451 66 S N -2.143 113.342 115.700 -0.359 0.000 2.683 66 S HA 0.432 4.902 4.470 -0.000 0.000 0.269 66 S C -0.978 173.214 174.600 -0.680 0.000 1.165 66 S CA -0.391 57.513 58.200 -0.494 0.000 0.840 66 S CB 0.816 63.883 63.200 -0.221 0.000 1.169 66 S HN -0.045 nan 8.310 nan 0.000 0.490 67 Y N 0.958 121.086 120.300 -0.288 0.000 2.658 67 Y HA 0.459 5.009 4.550 -0.000 0.000 0.276 67 Y C 0.608 176.378 175.900 -0.215 0.000 1.167 67 Y CA -0.810 57.018 58.100 -0.454 0.000 1.230 67 Y CB -0.144 37.961 38.460 -0.591 0.000 1.144 67 Y HN 0.373 nan 8.280 nan 0.000 0.529 68 K N 0.863 121.231 120.400 -0.053 0.000 2.350 68 K HA 0.186 4.506 4.320 -0.000 0.000 0.279 68 K C -0.566 176.050 176.600 0.027 0.000 1.027 68 K CA -0.538 55.748 56.287 -0.003 0.000 0.969 68 K CB 0.795 33.289 32.500 -0.010 0.000 0.954 68 K HN -0.031 nan 8.250 nan 0.000 0.474 69 L N 3.786 125.043 121.223 0.057 0.000 2.384 69 L HA 0.081 4.421 4.340 -0.000 0.000 0.258 69 L C -0.365 176.575 176.870 0.117 0.000 1.266 69 L CA 0.244 55.116 54.840 0.053 0.000 1.162 69 L CB -0.344 41.708 42.059 -0.013 0.000 1.375 69 L HN 0.586 nan 8.230 nan 0.000 0.420 70 c N 2.090 120.749 118.600 0.098 0.000 2.892 70 c HA 0.743 5.313 4.570 -0.000 0.000 0.360 70 c C 0.248 174.366 174.090 0.047 0.000 1.054 70 c CA 0.071 56.455 56.329 0.091 0.000 1.326 70 c CB 0.053 42.599 42.510 0.059 0.000 1.806 70 c HN 0.872 nan 8.230 nan 0.000 0.490 71 T N 1.996 116.573 114.554 0.040 0.000 2.696 71 T HA 0.503 4.853 4.350 -0.000 0.000 0.291 71 T C 0.923 175.550 174.700 -0.121 0.000 1.095 71 T CA -0.661 61.413 62.100 -0.043 0.000 1.026 71 T CB 1.081 69.930 68.868 -0.032 0.000 1.390 71 T HN 0.543 nan 8.240 nan 0.000 0.513 72 R N 0.096 120.497 120.500 -0.165 0.000 2.285 72 R HA 0.039 4.379 4.340 -0.000 0.000 0.213 72 R C 2.003 178.129 176.300 -0.289 0.000 1.068 72 R CA 0.914 56.901 56.100 -0.188 0.000 1.004 72 R CB -0.388 29.802 30.300 -0.183 0.000 0.873 72 R HN 0.553 nan 8.270 nan 0.000 0.467 73 S N -0.536 114.874 115.700 -0.483 0.000 2.470 73 S HA 0.135 4.605 4.470 -0.000 0.000 0.225 73 S C 0.750 174.763 174.600 -0.978 0.000 1.006 73 S CA 0.668 58.319 58.200 -0.915 0.000 0.934 73 S CB 0.716 62.842 63.200 -1.790 0.000 0.778 73 S HN 0.643 nan 8.310 nan 0.000 0.517 74 G N 1.342 109.820 108.800 -0.536 0.000 2.369 74 G HA2 0.151 4.111 3.960 -0.000 0.000 0.293 74 G HA3 0.151 4.111 3.960 -0.000 0.000 0.293 74 G C -1.437 173.578 174.900 0.191 0.000 1.301 74 G CA -0.629 44.395 45.100 -0.127 0.000 0.913 74 G HN 0.345 nan 8.290 nan 0.000 0.540 75 N N -0.825 118.049 118.700 0.289 0.000 2.604 75 N HA 0.476 5.216 4.740 -0.000 0.000 0.297 75 N C 1.064 176.789 175.510 0.358 0.000 1.266 75 N CA 0.072 53.285 53.050 0.271 0.000 0.961 75 N CB 0.979 39.569 38.487 0.171 0.000 1.166 75 N HN 0.782 nan 8.380 nan 0.000 0.601 76 E N -0.874 119.478 120.200 0.253 0.000 2.110 76 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 76 E C 0.386 177.141 176.600 0.259 0.000 0.988 76 E CA 1.365 57.919 56.400 0.256 0.000 0.804 76 E CB -0.121 29.702 29.700 0.204 0.000 0.745 76 E HN 0.522 nan 8.360 nan 0.000 0.458 77 D N 0.622 121.145 120.400 0.206 0.000 2.097 77 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 77 D C 1.782 178.183 176.300 0.169 0.000 0.989 77 D CA 1.282 55.379 54.000 0.162 0.000 0.827 77 D CB -0.148 40.730 40.800 0.128 0.000 0.966 77 D HN 0.400 nan 8.370 nan 0.000 0.456 78 E N -0.085 120.255 120.200 0.232 0.000 2.110 78 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 78 E C 1.934 178.676 176.600 0.236 0.000 0.988 78 E CA 0.399 56.956 56.400 0.263 0.000 0.804 78 E CB -0.182 29.733 29.700 0.358 0.000 0.745 78 E HN 0.225 nan 8.360 nan 0.000 0.458 79 F N 2.046 122.031 119.950 0.059 0.000 2.113 79 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 79 F C 2.217 177.876 175.800 -0.235 0.000 1.103 79 F CA 1.456 59.234 58.000 -0.369 0.000 1.248 79 F CB 0.070 38.825 39.000 -0.409 0.000 0.999 79 F HN -0.210 nan 8.300 nan 0.000 0.475 80 R N 0.224 120.711 120.500 -0.021 0.000 2.081 80 R HA -0.215 4.124 4.340 -0.000 0.000 0.235 80 R C 2.225 178.441 176.300 -0.140 0.000 1.131 80 R CA 1.425 57.471 56.100 -0.091 0.000 0.960 80 R CB -1.211 29.122 30.300 0.055 0.000 0.856 80 R HN 0.454 nan 8.270 nan 0.000 0.436 81 N N 1.378 120.040 118.700 -0.062 0.000 2.104 81 N HA -0.210 4.530 4.740 -0.000 0.000 0.190 81 N C 1.875 177.316 175.510 -0.115 0.000 1.024 81 N CA 1.453 54.477 53.050 -0.042 0.000 0.853 81 N CB -0.029 38.470 38.487 0.019 0.000 1.008 81 N HN 0.232 nan 8.380 nan 0.000 0.424 82 M N 0.784 120.273 119.600 -0.185 0.000 2.086 82 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 82 M C 1.938 178.020 176.300 -0.364 0.000 1.067 82 M CA 1.434 56.592 55.300 -0.236 0.000 1.116 82 M CB -0.119 32.322 32.600 -0.265 0.000 1.348 82 M HN -0.034 nan 8.290 nan 0.000 0.407 83 V N 0.663 120.245 119.914 -0.553 0.000 2.332 83 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 83 V C 2.350 178.126 176.094 -0.530 0.000 1.055 83 V CA 2.377 64.321 62.300 -0.594 0.000 1.038 83 V CB -1.332 30.084 31.823 -0.680 0.000 0.651 83 V HN 0.598 nan 8.190 nan 0.000 0.450 84 T N -0.269 114.077 114.554 -0.348 0.000 2.674 84 T HA -0.200 4.150 4.350 -0.000 0.000 0.265 84 T C 2.086 176.697 174.700 -0.149 0.000 1.039 84 T CA 1.694 63.683 62.100 -0.185 0.000 1.150 84 T CB -0.246 68.672 68.868 0.084 0.000 0.864 84 T HN 0.419 nan 8.240 nan 0.000 0.427 85 R N 0.090 120.518 120.500 -0.120 0.000 2.081 85 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 85 R C 2.817 179.037 176.300 -0.132 0.000 1.131 85 R CA 1.377 57.428 56.100 -0.081 0.000 0.960 85 R CB -0.799 29.469 30.300 -0.054 0.000 0.856 85 R HN 0.376 nan 8.270 nan 0.000 0.436 86 c N 0.680 119.155 118.600 -0.208 0.000 2.432 86 c HA -0.037 4.533 4.570 -0.000 0.000 0.277 86 c C 2.340 176.260 174.090 -0.284 0.000 1.249 86 c CA 0.497 56.694 56.329 -0.219 0.000 1.725 86 c CB -0.992 41.367 42.510 -0.251 0.000 2.028 86 c HN 0.511 nan 8.230 nan 0.000 0.477 87 N N 1.575 119.987 118.700 -0.480 0.000 2.104 87 N HA -0.097 4.643 4.740 -0.000 0.000 0.190 87 N C 1.284 176.573 175.510 -0.368 0.000 1.024 87 N CA 1.140 53.778 53.050 -0.688 0.000 0.853 87 N CB -0.664 36.839 38.487 -1.640 0.000 1.008 87 N HN 0.513 nan 8.380 nan 0.000 0.424 88 N N 0.173 118.787 118.700 -0.143 0.000 2.519 88 N HA -0.075 4.664 4.740 -0.000 0.000 0.186 88 N C 1.104 176.611 175.510 -0.004 0.000 1.062 88 N CA 0.239 53.327 53.050 0.063 0.000 0.910 88 N CB 0.135 38.690 38.487 0.114 0.000 0.958 88 N HN 0.058 nan 8.380 nan 0.000 0.445 89 V N -0.726 119.152 119.914 -0.061 0.000 3.427 89 V HA 0.295 4.415 4.120 -0.000 0.000 0.305 89 V C 0.977 177.039 176.094 -0.053 0.000 1.412 89 V CA 0.604 62.879 62.300 -0.042 0.000 1.086 89 V CB -0.345 31.458 31.823 -0.034 0.000 0.964 89 V HN 0.382 nan 8.190 nan 0.000 0.439 90 G N 0.584 109.330 108.800 -0.090 0.000 2.143 90 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.248 90 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.248 90 G C 0.084 174.937 174.900 -0.079 0.000 0.991 90 G CA 0.297 45.344 45.100 -0.089 0.000 0.689 90 G HN 0.635 nan 8.290 nan 0.000 0.522 91 V N 2.238 122.088 119.914 -0.107 0.000 2.357 91 V HA 0.564 4.684 4.120 -0.000 0.000 0.284 91 V C 0.579 176.582 176.094 -0.152 0.000 1.018 91 V CA -1.281 60.975 62.300 -0.074 0.000 0.841 91 V CB 1.371 33.161 31.823 -0.054 0.000 0.991 91 V HN 0.323 nan 8.190 nan 0.000 0.437 92 R N 4.129 124.561 120.500 -0.114 0.000 2.615 92 R HA 0.523 4.863 4.340 -0.000 0.000 0.270 92 R C -0.527 175.545 176.300 -0.379 0.000 1.081 92 R CA -0.681 55.262 56.100 -0.262 0.000 1.154 92 R CB 0.803 30.946 30.300 -0.262 0.000 1.063 92 R HN 0.420 nan 8.270 nan 0.000 0.519 93 I N 2.604 122.832 120.570 -0.570 0.000 2.406 93 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 93 I C -0.712 174.990 176.117 -0.690 0.000 0.999 93 I CA -0.917 60.090 61.300 -0.488 0.000 1.124 93 I CB 1.191 38.929 38.000 -0.436 0.000 1.289 93 I HN 0.415 nan 8.210 nan 0.000 0.441 94 Y N 4.745 125.013 120.300 -0.054 0.000 2.341 94 Y HA 0.476 5.026 4.550 -0.000 0.000 0.338 94 Y C 0.225 176.090 175.900 -0.057 0.000 0.965 94 Y CA -0.910 57.154 58.100 -0.059 0.000 1.108 94 Y CB 1.904 40.465 38.460 0.168 0.000 1.180 94 Y HN 0.179 nan 8.280 nan 0.000 0.458 95 V N 3.040 122.920 119.914 -0.057 0.000 2.509 95 V HA 0.111 4.231 4.120 -0.000 0.000 0.284 95 V C -0.145 176.046 176.094 0.163 0.000 1.047 95 V CA -0.754 61.593 62.300 0.080 0.000 0.952 95 V CB 1.440 33.317 31.823 0.089 0.000 0.988 95 V HN 0.660 nan 8.190 nan 0.000 0.469 96 D N 4.167 124.673 120.400 0.178 0.000 2.374 96 D HA 0.334 4.974 4.640 -0.000 0.000 0.240 96 D C 0.092 176.507 176.300 0.192 0.000 1.229 96 D CA -0.065 54.032 54.000 0.161 0.000 0.895 96 D CB 1.161 42.081 40.800 0.199 0.000 1.046 96 D HN 0.686 nan 8.370 nan 0.000 0.498 97 A N 4.174 127.096 122.820 0.170 0.000 2.279 97 A HA 0.386 4.706 4.320 -0.000 0.000 0.306 97 A C -0.096 177.557 177.584 0.114 0.000 1.300 97 A CA -0.660 51.473 52.037 0.159 0.000 0.925 97 A CB 0.592 19.610 19.000 0.029 0.000 1.152 97 A HN 0.376 nan 8.150 nan 0.000 0.544 98 V N 5.571 125.555 119.914 0.117 0.000 2.284 98 V HA 0.153 4.273 4.120 -0.000 0.000 0.260 98 V C 0.867 176.931 176.094 -0.050 0.000 1.084 98 V CA 0.279 62.595 62.300 0.027 0.000 0.894 98 V CB -0.391 31.440 31.823 0.012 0.000 1.119 98 V HN 0.873 nan 8.190 nan 0.000 0.484 99 I N 0.549 121.078 120.570 -0.068 0.000 4.154 99 I HA 0.343 4.513 4.170 -0.000 0.000 0.334 99 I C 1.484 177.548 176.117 -0.088 0.000 1.371 99 I CA 0.233 61.499 61.300 -0.057 0.000 1.110 99 I CB 0.143 38.112 38.000 -0.050 0.000 1.085 99 I HN 0.470 nan 8.210 nan 0.000 0.398 100 N N 1.529 120.145 118.700 -0.140 0.000 2.376 100 N HA -0.056 4.684 4.740 -0.000 0.000 0.177 100 N C 0.571 176.084 175.510 0.005 0.000 1.024 100 N CA 0.894 53.931 53.050 -0.023 0.000 0.893 100 N CB 0.193 38.757 38.487 0.129 0.000 0.980 100 N HN 0.684 nan 8.380 nan 0.000 0.439 101 H N -3.538 115.549 119.070 0.030 0.000 2.933 101 H HA 0.327 4.883 4.556 0.000 0.000 0.310 101 H C -0.542 174.781 175.328 -0.008 0.000 1.351 101 H CA -0.905 55.156 56.048 0.021 0.000 1.137 101 H CB 0.570 30.346 29.762 0.022 0.000 1.853 101 H HN -0.178 nan 8.280 nan 0.000 0.539 102 M N 0.713 120.403 119.600 0.150 0.000 2.348 102 M HA 0.313 4.793 4.480 -0.000 0.000 0.226 102 M C 0.933 177.308 176.300 0.124 0.000 0.780 102 M CA -0.426 54.848 55.300 -0.044 0.000 1.699 102 M CB 0.380 32.719 32.600 -0.434 0.000 1.192 102 M HN 0.882 nan 8.290 nan 0.000 0.859 103 C N -0.013 119.345 119.300 0.097 0.000 2.480 103 C HA 0.776 5.236 4.460 -0.000 0.000 0.344 103 C C 1.010 176.068 174.990 0.113 0.000 1.380 103 C CA -0.926 58.173 59.018 0.135 0.000 2.386 103 C CB -0.647 27.174 27.740 0.135 0.000 2.210 103 C HN 0.842 nan 8.230 nan 0.000 0.640 104 G N 1.636 110.484 108.800 0.080 0.000 2.380 104 G HA2 0.164 4.124 3.960 -0.000 0.000 0.242 104 G HA3 0.164 4.124 3.960 -0.000 0.000 0.242 104 G C 0.934 175.858 174.900 0.040 0.000 1.298 104 G CA 0.253 45.370 45.100 0.029 0.000 0.878 104 G HN 1.037 nan 8.290 nan 0.000 0.542 105 N N 1.601 120.297 118.700 -0.007 0.000 2.364 105 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 105 N C 1.678 177.174 175.510 -0.022 0.000 1.022 105 N CA 1.105 54.139 53.050 -0.027 0.000 0.883 105 N CB 0.017 38.470 38.487 -0.057 0.000 0.965 105 N HN 0.434 nan 8.380 nan 0.000 0.438 106 A N 0.706 123.519 122.820 -0.012 0.000 2.275 106 A HA 0.282 4.601 4.320 -0.000 0.000 0.212 106 A C 0.783 178.369 177.584 0.004 0.000 1.201 106 A CA -0.337 51.692 52.037 -0.013 0.000 0.843 106 A CB 0.082 19.072 19.000 -0.017 0.000 0.873 106 A HN 0.099 nan 8.150 nan 0.000 0.492 107 V N 1.602 121.539 119.914 0.038 0.000 2.655 107 V HA 0.067 4.186 4.120 -0.000 0.000 0.300 107 V C 0.782 176.880 176.094 0.005 0.000 1.044 107 V CA -0.040 62.303 62.300 0.072 0.000 1.095 107 V CB 1.080 33.014 31.823 0.185 0.000 0.952 107 V HN 0.407 nan 8.190 nan 0.000 0.485 108 S N 3.617 119.302 115.700 -0.024 0.000 2.549 108 S HA 0.398 4.868 4.470 -0.000 0.000 0.283 108 S C 0.514 174.932 174.600 -0.304 0.000 1.320 108 S CA -0.183 57.947 58.200 -0.115 0.000 1.058 108 S CB 0.809 63.963 63.200 -0.076 0.000 0.882 108 S HN 1.059 nan 8.310 nan 0.000 0.498 109 A N 2.718 125.326 122.820 -0.353 0.000 2.425 109 A HA 0.700 5.020 4.320 -0.000 0.000 0.242 109 A C 0.999 178.261 177.584 -0.537 0.000 1.077 109 A CA 0.434 52.114 52.037 -0.594 0.000 0.781 109 A CB -0.265 18.514 19.000 -0.369 0.000 1.020 109 A HN 1.304 nan 8.150 nan 0.000 0.494 110 G N -0.653 107.689 108.800 -0.764 0.000 2.334 110 G HA2 0.389 4.348 3.960 -0.000 0.000 0.249 110 G HA3 0.389 4.348 3.960 -0.000 0.000 0.249 110 G C 0.032 174.758 174.900 -0.290 0.000 1.327 110 G CA 0.569 45.481 45.100 -0.313 0.000 0.979 110 G HN 1.698 nan 8.290 nan 0.000 0.471 111 T N -2.302 112.243 114.554 -0.013 0.000 3.296 111 T HA 0.511 4.861 4.350 -0.000 0.000 0.285 111 T C 0.822 175.651 174.700 0.216 0.000 1.014 111 T CA 0.986 63.178 62.100 0.153 0.000 0.920 111 T CB 0.696 69.659 68.868 0.157 0.000 1.143 111 T HN 1.177 nan 8.240 nan 0.000 0.522 112 S N 2.886 118.732 115.700 0.243 0.000 4.183 112 S HA 0.424 4.894 4.470 -0.000 0.000 0.195 112 S C 0.320 175.123 174.600 0.339 0.000 1.421 112 S CA -0.540 57.828 58.200 0.280 0.000 0.920 112 S CB -1.066 62.284 63.200 0.249 0.000 1.525 112 S HN 0.750 nan 8.310 nan 0.000 0.447 113 S N 0.860 116.705 115.700 0.243 0.000 2.634 113 S HA 0.412 4.882 4.470 -0.000 0.000 0.296 113 S C 1.083 175.704 174.600 0.034 0.000 1.104 113 S CA -0.316 57.928 58.200 0.074 0.000 0.920 113 S CB 1.066 64.285 63.200 0.032 0.000 1.111 113 S HN 0.454 nan 8.310 nan 0.000 0.493 114 T N -3.207 111.328 114.554 -0.032 0.000 3.098 114 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 114 T C 1.017 175.719 174.700 0.002 0.000 1.145 114 T CA 0.864 62.947 62.100 -0.028 0.000 1.092 114 T CB -0.645 68.184 68.868 -0.064 0.000 0.908 114 T HN 0.636 nan 8.240 nan 0.000 0.526 115 c N 0.406 119.016 118.600 0.017 0.000 3.657 115 c HA 0.675 5.244 4.570 -0.000 0.000 0.291 115 c C 2.016 176.140 174.090 0.057 0.000 1.572 115 c CA -0.091 56.258 56.329 0.033 0.000 1.818 115 c CB -0.788 41.736 42.510 0.024 0.000 2.903 115 c HN 0.876 nan 8.230 nan 0.000 0.632 116 G N 1.457 110.304 108.800 0.078 0.000 2.179 116 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 116 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 116 G C 0.240 175.223 174.900 0.138 0.000 0.977 116 G CA 0.579 45.742 45.100 0.106 0.000 0.641 116 G HN 0.583 nan 8.290 nan 0.000 0.533 117 S N -0.138 115.641 115.700 0.132 0.000 2.560 117 S HA 0.386 4.856 4.470 -0.000 0.000 0.284 117 S C 0.020 174.794 174.600 0.290 0.000 1.327 117 S CA -0.193 58.107 58.200 0.167 0.000 1.055 117 S CB 0.712 63.974 63.200 0.104 0.000 0.868 117 S HN 0.607 nan 8.310 nan 0.000 0.506 118 Y N 4.407 124.800 120.300 0.155 0.000 2.299 118 Y HA 0.543 5.093 4.550 -0.000 0.000 0.326 118 Y C -0.501 175.521 175.900 0.204 0.000 1.164 118 Y CA -0.948 57.228 58.100 0.127 0.000 1.234 118 Y CB 0.315 38.786 38.460 0.019 0.000 1.219 118 Y HN 0.563 nan 8.280 nan 0.000 0.497 119 F N 3.171 122.502 119.950 -1.033 0.000 2.668 119 F HA 0.483 5.010 4.527 -0.000 0.000 0.309 119 F C -1.792 173.323 175.800 -1.142 0.000 1.117 119 F CA -1.499 55.922 58.000 -0.966 0.000 0.951 119 F CB 1.419 40.058 39.000 -0.601 0.000 1.323 119 F HN 0.421 nan 8.300 nan 0.000 0.451 120 N N 2.403 120.550 118.700 -0.920 0.000 2.640 120 N HA 0.380 5.120 4.740 -0.000 0.000 0.262 120 N C -2.604 172.614 175.510 -0.487 0.000 1.174 120 N CA -1.973 50.683 53.050 -0.656 0.000 0.791 120 N CB 1.952 40.209 38.487 -0.385 0.000 1.279 120 N HN 0.272 nan 8.380 nan 0.000 0.535 121 P HA -0.054 nan 4.420 nan 0.000 0.216 121 P C 1.346 178.559 177.300 -0.145 0.000 1.153 121 P CA 1.339 64.349 63.100 -0.150 0.000 0.858 121 P CB 0.213 31.913 31.700 -0.001 0.000 0.789 122 G N -0.042 108.673 108.800 -0.142 0.000 2.491 122 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 122 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 122 G C 1.414 176.252 174.900 -0.103 0.000 1.180 122 G CA 1.519 46.554 45.100 -0.109 0.000 0.774 122 G HN 0.439 nan 8.290 nan 0.000 0.562 123 S N -0.947 114.690 115.700 -0.104 0.000 2.597 123 S HA 0.340 4.810 4.470 -0.000 0.000 0.224 123 S C 0.951 175.523 174.600 -0.047 0.000 0.955 123 S CA 0.089 58.249 58.200 -0.066 0.000 0.933 123 S CB 0.335 63.514 63.200 -0.034 0.000 0.788 123 S HN 0.243 nan 8.310 nan 0.000 0.488 124 R N 0.600 121.046 120.500 -0.091 0.000 3.422 124 R HA -0.143 4.196 4.340 -0.000 0.000 0.267 124 R C -1.217 175.204 176.300 0.203 0.000 1.074 124 R CA 0.792 56.879 56.100 -0.023 0.000 0.718 124 R CB -2.664 27.623 30.300 -0.021 0.000 1.157 124 R HN 0.623 nan 8.270 nan 0.000 0.440 125 D N -0.361 120.016 120.400 -0.038 0.000 2.381 125 D HA 0.416 5.056 4.640 -0.000 0.000 0.235 125 D C -0.826 175.337 176.300 -0.228 0.000 1.068 125 D CA -0.306 53.714 54.000 0.033 0.000 0.832 125 D CB 0.385 41.204 40.800 0.031 0.000 1.101 125 D HN 0.074 nan 8.370 nan 0.000 0.515 126 F N 5.182 125.280 119.950 0.247 0.000 2.622 126 F HA 0.288 4.815 4.527 -0.001 0.000 0.338 126 F C -1.426 174.470 175.800 0.160 0.000 1.334 126 F CA -1.620 56.503 58.000 0.205 0.000 1.179 126 F CB 1.678 40.831 39.000 0.255 0.000 1.471 126 F HN 0.281 nan 8.300 nan 0.000 0.576 127 P HA -0.235 nan 4.420 nan 0.000 0.220 127 P C 1.346 178.731 177.300 0.141 0.000 1.144 127 P CA 1.428 64.649 63.100 0.201 0.000 0.800 127 P CB 0.335 32.163 31.700 0.213 0.000 0.772 128 A N -0.613 122.285 122.820 0.130 0.000 2.168 128 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 128 A C 2.268 179.840 177.584 -0.020 0.000 1.152 128 A CA 0.919 52.989 52.037 0.056 0.000 0.716 128 A CB -1.085 17.941 19.000 0.044 0.000 0.794 128 A HN 0.099 nan 8.150 nan 0.000 0.465 129 V N 0.444 120.321 119.914 -0.060 0.000 2.326 129 V HA 0.039 4.159 4.120 -0.000 0.000 0.238 129 V C -1.454 174.568 176.094 -0.121 0.000 1.038 129 V CA 1.284 63.453 62.300 -0.219 0.000 1.032 129 V CB -0.868 30.579 31.823 -0.626 0.000 0.675 129 V HN 0.485 nan 8.190 nan 0.000 0.467 130 P HA 0.424 nan 4.420 nan 0.000 0.292 130 P C -2.018 175.360 177.300 0.130 0.000 1.300 130 P CA -0.288 62.848 63.100 0.060 0.000 0.900 130 P CB 1.942 33.726 31.700 0.140 0.000 1.139 131 Y N -0.337 120.161 120.300 0.331 0.000 2.536 131 Y HA 0.519 5.069 4.550 -0.000 0.000 0.347 131 Y C 0.953 177.112 175.900 0.431 0.000 1.000 131 Y CA -0.363 57.948 58.100 0.352 0.000 1.051 131 Y CB 2.338 40.954 38.460 0.260 0.000 1.259 131 Y HN 0.498 nan 8.280 nan 0.000 0.468 132 S N -1.022 115.035 115.700 0.595 0.000 2.811 132 S HA 0.583 5.052 4.470 -0.000 0.000 0.311 132 S C 1.014 175.934 174.600 0.533 0.000 1.152 132 S CA -0.308 58.200 58.200 0.513 0.000 0.864 132 S CB 1.177 64.642 63.200 0.443 0.000 1.226 132 S HN 0.841 nan 8.310 nan 0.000 0.541 133 G N -0.329 108.664 108.800 0.321 0.000 2.462 133 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.220 133 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.220 133 G C 0.628 175.581 174.900 0.088 0.000 1.121 133 G CA 0.493 45.686 45.100 0.155 0.000 0.758 133 G HN 0.758 nan 8.290 nan 0.000 0.559 134 W N 0.825 122.232 121.300 0.180 0.000 2.825 134 W HA 0.196 4.856 4.660 0.000 0.000 0.243 134 W C 1.062 177.622 176.519 0.068 0.000 1.293 134 W CA 0.277 57.684 57.345 0.105 0.000 1.403 134 W CB 0.345 29.838 29.460 0.054 0.000 1.134 134 W HN 0.107 nan 8.180 nan 0.000 0.666 135 D N -1.119 119.409 120.400 0.213 0.000 2.340 135 D HA 0.101 4.740 4.640 -0.000 0.000 0.217 135 D C -0.324 175.642 176.300 -0.556 0.000 1.081 135 D CA 0.370 54.285 54.000 -0.140 0.000 0.842 135 D CB -0.106 40.553 40.800 -0.234 0.000 0.934 135 D HN 0.027 nan 8.370 nan 0.000 0.511 136 F N 0.258 120.212 119.950 0.007 0.000 2.579 136 F HA 0.316 4.843 4.527 -0.000 0.000 0.324 136 F C 1.346 177.146 175.800 0.000 0.000 1.058 136 F CA -1.077 56.908 58.000 -0.026 0.000 0.944 136 F CB 0.932 39.918 39.000 -0.023 0.000 1.245 136 F HN -0.367 nan 8.300 nan 0.000 0.477 137 N N 1.127 119.942 118.700 0.192 0.000 2.421 137 N HA -0.052 4.688 4.740 -0.000 0.000 0.201 137 N C 0.725 176.294 175.510 0.098 0.000 1.198 137 N CA 0.347 53.471 53.050 0.123 0.000 0.838 137 N CB -0.266 38.290 38.487 0.114 0.000 1.011 137 N HN 0.576 nan 8.380 nan 0.000 0.463 138 D N 0.460 120.920 120.400 0.100 0.000 2.116 138 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 138 D C 1.793 178.106 176.300 0.023 0.000 0.998 138 D CA 1.221 55.246 54.000 0.042 0.000 0.836 138 D CB -0.181 40.626 40.800 0.012 0.000 0.951 138 D HN 0.349 nan 8.370 nan 0.000 0.449 139 G N 0.276 109.089 108.800 0.021 0.000 2.650 139 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.214 139 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.214 139 G C 1.532 176.450 174.900 0.029 0.000 1.136 139 G CA 0.240 45.347 45.100 0.012 0.000 0.789 139 G HN 0.226 nan 8.290 nan 0.000 0.536 140 K N -0.441 119.988 120.400 0.047 0.000 2.166 140 K HA 0.050 4.370 4.320 -0.000 0.000 0.201 140 K C 0.976 177.611 176.600 0.058 0.000 1.052 140 K CA -0.108 56.213 56.287 0.057 0.000 0.969 140 K CB -0.134 32.413 32.500 0.078 0.000 0.761 140 K HN 0.211 nan 8.250 nan 0.000 0.459 141 c N 2.616 121.249 118.600 0.054 0.000 2.642 141 c HA 0.120 4.690 4.570 -0.000 0.000 0.420 141 c C 0.791 174.898 174.090 0.028 0.000 1.349 141 c CA -0.055 56.300 56.329 0.043 0.000 1.821 141 c CB -0.140 42.388 42.510 0.031 0.000 2.637 141 c HN 0.428 nan 8.230 nan 0.000 0.605 142 K N 2.606 123.022 120.400 0.026 0.000 2.358 142 K HA 0.123 4.443 4.320 -0.000 0.000 0.197 142 K C 0.951 177.556 176.600 0.008 0.000 1.025 142 K CA 0.186 56.484 56.287 0.018 0.000 1.104 142 K CB 0.185 32.699 32.500 0.023 0.000 0.855 142 K HN 0.888 nan 8.250 nan 0.000 0.531 143 T N -2.456 112.100 114.554 0.003 0.000 2.860 143 T HA 0.193 4.543 4.350 -0.000 0.000 0.299 143 T C 1.500 176.197 174.700 -0.005 0.000 1.045 143 T CA -0.309 61.789 62.100 -0.004 0.000 1.071 143 T CB 1.622 70.482 68.868 -0.013 0.000 0.985 143 T HN 0.164 nan 8.240 nan 0.000 0.537 144 G N 0.464 109.260 108.800 -0.006 0.000 2.443 144 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.219 144 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.219 144 G C 1.647 176.540 174.900 -0.010 0.000 1.131 144 G CA 0.696 45.792 45.100 -0.007 0.000 0.775 144 G HN 0.946 nan 8.290 nan 0.000 0.547 145 S N -1.218 114.474 115.700 -0.013 0.000 2.503 145 S HA 0.372 4.842 4.470 -0.000 0.000 0.217 145 S C 1.937 176.525 174.600 -0.021 0.000 0.999 145 S CA 1.023 59.213 58.200 -0.017 0.000 0.914 145 S CB 0.161 63.350 63.200 -0.017 0.000 0.782 145 S HN 1.461 nan 8.310 nan 0.000 0.520 146 G N 0.805 109.594 108.800 -0.018 0.000 2.176 146 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.253 146 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.253 146 G C -0.349 174.536 174.900 -0.025 0.000 0.979 146 G CA 0.307 45.397 45.100 -0.018 0.000 0.641 146 G HN 0.564 nan 8.290 nan 0.000 0.530 147 D N -0.347 120.034 120.400 -0.031 0.000 2.442 147 D HA 0.584 5.224 4.640 -0.000 0.000 0.254 147 D C 0.891 177.161 176.300 -0.050 0.000 1.069 147 D CA -0.673 53.301 54.000 -0.044 0.000 1.017 147 D CB 0.880 41.654 40.800 -0.044 0.000 1.172 147 D HN 0.192 nan 8.370 nan 0.000 0.561 148 I N 1.282 121.808 120.570 -0.074 0.000 2.517 148 I HA -0.002 4.168 4.170 -0.000 0.000 0.285 148 I C 1.305 177.385 176.117 -0.061 0.000 1.106 148 I CA 0.557 61.785 61.300 -0.120 0.000 1.402 148 I CB 0.516 38.379 38.000 -0.228 0.000 1.399 148 I HN 0.298 nan 8.210 nan 0.000 0.535 149 E N 4.075 124.245 120.200 -0.051 0.000 2.364 149 E HA 0.103 4.453 4.350 -0.000 0.000 0.203 149 E C 0.342 176.967 176.600 0.041 0.000 0.888 149 E CA 0.092 56.495 56.400 0.005 0.000 0.989 149 E CB 0.563 30.262 29.700 -0.001 0.000 0.985 149 E HN 0.610 nan 8.360 nan 0.000 0.499 150 N N -0.363 118.338 118.700 0.001 0.000 2.480 150 N HA 0.092 4.832 4.740 -0.000 0.000 0.289 150 N C -0.695 174.820 175.510 0.008 0.000 1.073 150 N CA -0.196 52.884 53.050 0.050 0.000 0.885 150 N CB 0.725 39.228 38.487 0.026 0.000 1.421 150 N HN -0.083 nan 8.380 nan 0.000 0.503 151 Y N 2.273 122.570 120.300 -0.005 0.000 2.632 151 Y HA 0.071 4.620 4.550 -0.001 0.000 0.301 151 Y C 1.337 177.226 175.900 -0.019 0.000 1.172 151 Y CA 0.707 58.799 58.100 -0.013 0.000 1.328 151 Y CB -0.092 38.358 38.460 -0.017 0.000 1.016 151 Y HN 0.642 nan 8.280 nan 0.000 0.529 152 N N -0.594 118.163 118.700 0.094 0.000 2.412 152 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 152 N C -0.234 175.289 175.510 0.021 0.000 1.101 152 N CA 0.123 53.205 53.050 0.054 0.000 0.881 152 N CB 0.249 38.764 38.487 0.047 0.000 0.969 152 N HN 0.100 nan 8.380 nan 0.000 0.459 153 D N 0.274 120.671 120.400 -0.004 0.000 2.454 153 D HA 0.290 4.929 4.640 -0.000 0.000 0.225 153 D C 0.613 176.885 176.300 -0.047 0.000 1.081 153 D CA -0.582 53.411 54.000 -0.012 0.000 0.864 153 D CB 1.033 41.826 40.800 -0.012 0.000 1.040 153 D HN 0.075 nan 8.370 nan 0.000 0.517 154 A N 2.960 125.762 122.820 -0.030 0.000 2.076 154 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 154 A C 1.965 179.466 177.584 -0.137 0.000 1.160 154 A CA 1.598 53.581 52.037 -0.091 0.000 0.653 154 A CB -0.387 18.589 19.000 -0.040 0.000 0.801 154 A HN 0.590 nan 8.150 nan 0.000 0.455 155 T N 0.402 114.974 114.554 0.029 0.000 2.732 155 T HA -0.151 4.199 4.350 -0.000 0.000 0.261 155 T C 2.126 176.855 174.700 0.048 0.000 1.040 155 T CA 1.611 63.809 62.100 0.163 0.000 1.145 155 T CB -0.289 68.715 68.868 0.227 0.000 0.866 155 T HN 0.882 nan 8.240 nan 0.000 0.427 156 Q N 0.941 120.734 119.800 -0.011 0.000 2.224 156 Q HA -0.001 4.339 4.340 -0.000 0.000 0.203 156 Q C 2.094 178.022 176.000 -0.120 0.000 0.970 156 Q CA 0.989 56.766 55.803 -0.043 0.000 0.865 156 Q CB -0.668 28.038 28.738 -0.054 0.000 0.922 156 Q HN 0.289 nan 8.270 nan 0.000 0.445 157 V N 0.896 120.688 119.914 -0.203 0.000 2.490 157 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 157 V C 2.032 178.032 176.094 -0.157 0.000 1.061 157 V CA 2.006 64.148 62.300 -0.263 0.000 1.064 157 V CB -0.405 31.208 31.823 -0.350 0.000 0.670 157 V HN 0.285 nan 8.190 nan 0.000 0.461 158 R N -0.228 120.110 120.500 -0.270 0.000 2.128 158 R HA 0.066 4.406 4.340 -0.000 0.000 0.211 158 R C 1.675 177.941 176.300 -0.056 0.000 1.067 158 R CA 0.831 56.732 56.100 -0.332 0.000 1.010 158 R CB -0.304 29.343 30.300 -1.089 0.000 0.922 158 R HN 0.436 nan 8.270 nan 0.000 0.457 159 D N -1.068 119.361 120.400 0.049 0.000 2.354 159 D HA 0.087 4.726 4.640 -0.000 0.000 0.209 159 D C 0.042 176.383 176.300 0.069 0.000 1.015 159 D CA 0.309 54.386 54.000 0.128 0.000 0.867 159 D CB 0.236 41.151 40.800 0.191 0.000 0.933 159 D HN 0.086 nan 8.370 nan 0.000 0.520 160 c N 0.638 119.250 118.600 0.020 0.000 2.407 160 c HA 0.479 5.048 4.570 -0.000 0.000 0.366 160 c C 0.668 174.745 174.090 -0.022 0.000 1.213 160 c CA -1.044 55.284 56.329 -0.002 0.000 2.011 160 c CB 1.456 43.949 42.510 -0.028 0.000 2.306 160 c HN 0.066 nan 8.230 nan 0.000 0.527 161 R N 1.161 121.641 120.500 -0.033 0.000 2.370 161 R HA 0.278 4.618 4.340 -0.000 0.000 0.309 161 R C -0.578 175.651 176.300 -0.119 0.000 1.059 161 R CA -0.447 55.616 56.100 -0.062 0.000 0.981 161 R CB 0.164 30.432 30.300 -0.053 0.000 0.972 161 R HN 0.477 nan 8.270 nan 0.000 0.437 162 L N 4.963 126.069 121.223 -0.195 0.000 2.485 162 L HA -0.022 4.318 4.340 -0.000 0.000 0.279 162 L C 0.378 177.118 176.870 -0.218 0.000 1.124 162 L CA 0.805 55.480 54.840 -0.275 0.000 0.888 162 L CB 0.025 41.787 42.059 -0.495 0.000 1.217 162 L HN 0.935 nan 8.230 nan 0.000 0.464 163 T N 1.664 116.134 114.554 -0.140 0.000 3.708 163 T HA -0.182 4.168 4.350 -0.000 0.000 0.375 163 T C 1.126 175.745 174.700 -0.135 0.000 0.763 163 T CA 1.147 63.172 62.100 -0.126 0.000 1.915 163 T CB -2.412 66.367 68.868 -0.148 0.000 1.783 163 T HN 2.320 nan 8.240 nan 0.000 0.734 164 G N -1.121 107.612 108.800 -0.112 0.000 2.205 164 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.261 164 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.261 164 G C 0.029 174.872 174.900 -0.095 0.000 0.980 164 G CA -0.061 44.984 45.100 -0.093 0.000 0.632 164 G HN 0.965 nan 8.290 nan 0.000 0.533 165 L N 1.492 122.629 121.223 -0.143 0.000 2.462 165 L HA 0.377 4.717 4.340 -0.000 0.000 0.272 165 L C 1.364 178.213 176.870 -0.036 0.000 1.166 165 L CA -0.215 54.545 54.840 -0.134 0.000 0.880 165 L CB 0.509 42.335 42.059 -0.387 0.000 1.142 165 L HN 0.223 nan 8.230 nan 0.000 0.473 166 L N 3.571 124.801 121.223 0.011 0.000 2.628 166 L HA -0.069 4.271 4.340 -0.000 0.000 0.274 166 L C 0.332 177.340 176.870 0.229 0.000 1.209 166 L CA 0.207 55.061 54.840 0.022 0.000 0.930 166 L CB -0.103 41.829 42.059 -0.212 0.000 1.183 166 L HN 0.566 nan 8.230 nan 0.000 0.492 167 D N 3.912 124.457 120.400 0.241 0.000 2.313 167 D HA 0.323 4.962 4.640 -0.000 0.000 0.239 167 D C -0.249 176.180 176.300 0.216 0.000 1.142 167 D CA -0.310 53.819 54.000 0.215 0.000 0.847 167 D CB 0.805 41.680 40.800 0.124 0.000 1.082 167 D HN 0.252 nan 8.370 nan 0.000 0.480 168 L N 2.567 123.805 121.223 0.024 0.000 2.453 168 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 168 L C 0.724 177.509 176.870 -0.141 0.000 1.182 168 L CA -0.626 54.047 54.840 -0.278 0.000 0.858 168 L CB 0.830 42.673 42.059 -0.361 0.000 1.120 168 L HN 0.496 nan 8.230 nan 0.000 0.474 169 A N 5.389 128.094 122.820 -0.192 0.000 2.981 169 A HA 0.264 4.583 4.320 -0.000 0.000 0.280 169 A C 1.105 178.670 177.584 -0.031 0.000 1.743 169 A CA -0.322 51.687 52.037 -0.047 0.000 1.430 169 A CB -0.570 18.418 19.000 -0.020 0.000 1.085 169 A HN 0.840 nan 8.150 nan 0.000 0.597 170 L N 0.857 122.084 121.223 0.006 0.000 2.642 170 L HA -0.134 4.206 4.340 -0.000 0.000 0.236 170 L C 2.494 179.387 176.870 0.038 0.000 1.169 170 L CA 1.165 56.017 54.840 0.020 0.000 0.851 170 L CB -0.285 41.807 42.059 0.055 0.000 0.968 170 L HN 0.877 nan 8.230 nan 0.000 0.453 171 E N 0.826 121.052 120.200 0.042 0.000 2.371 171 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 171 E C 0.350 176.964 176.600 0.022 0.000 1.012 171 E CA 0.084 56.497 56.400 0.021 0.000 0.860 171 E CB 0.145 29.845 29.700 -0.000 0.000 0.811 171 E HN 0.393 nan 8.360 nan 0.000 0.502 172 K N 1.623 122.045 120.400 0.037 0.000 2.322 172 K HA 0.012 4.332 4.320 -0.000 0.000 0.283 172 K C 0.170 176.809 176.600 0.065 0.000 1.042 172 K CA 0.164 56.489 56.287 0.063 0.000 0.958 172 K CB 1.130 33.691 32.500 0.102 0.000 0.984 172 K HN -0.044 nan 8.250 nan 0.000 0.473 173 D N 1.965 122.406 120.400 0.069 0.000 2.149 173 D HA -0.242 4.398 4.640 -0.000 0.000 0.198 173 D C 1.506 177.850 176.300 0.073 0.000 0.990 173 D CA 1.407 55.440 54.000 0.055 0.000 0.839 173 D CB 0.032 40.864 40.800 0.053 0.000 0.948 173 D HN 0.624 nan 8.370 nan 0.000 0.460 174 Y N 0.415 120.731 120.300 0.027 0.000 2.128 174 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 174 Y C 2.097 178.045 175.900 0.081 0.000 1.154 174 Y CA 1.538 59.666 58.100 0.048 0.000 1.149 174 Y CB -0.547 37.949 38.460 0.059 0.000 0.976 174 Y HN -0.068 nan 8.280 nan 0.000 0.505 175 V N 0.788 120.723 119.914 0.034 0.000 2.343 175 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 175 V C 2.393 178.449 176.094 -0.065 0.000 1.051 175 V CA 2.286 64.588 62.300 0.004 0.000 1.036 175 V CB -0.635 31.186 31.823 -0.003 0.000 0.654 175 V HN 0.338 nan 8.190 nan 0.000 0.451 176 R N -0.020 120.447 120.500 -0.055 0.000 2.105 176 R HA -0.131 4.209 4.340 -0.000 0.000 0.239 176 R C 2.560 178.794 176.300 -0.110 0.000 1.135 176 R CA 1.696 57.756 56.100 -0.068 0.000 0.967 176 R CB -0.451 29.826 30.300 -0.039 0.000 0.861 176 R HN 0.449 nan 8.270 nan 0.000 0.442 177 S N 0.500 116.119 115.700 -0.134 0.000 2.368 177 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 177 S C 1.653 176.129 174.600 -0.208 0.000 1.029 177 S CA 0.933 59.042 58.200 -0.152 0.000 0.988 177 S CB 0.057 63.178 63.200 -0.132 0.000 0.838 177 S HN 0.176 nan 8.310 nan 0.000 0.462 178 K N 1.436 121.655 120.400 -0.300 0.000 2.097 178 K HA 0.110 4.430 4.320 -0.000 0.000 0.205 178 K C 1.887 178.330 176.600 -0.262 0.000 1.050 178 K CA 0.858 56.975 56.287 -0.284 0.000 0.938 178 K CB -0.620 31.671 32.500 -0.349 0.000 0.718 178 K HN 0.408 nan 8.250 nan 0.000 0.442 179 I N 0.822 121.254 120.570 -0.230 0.000 2.252 179 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 179 I C 2.363 178.325 176.117 -0.258 0.000 1.102 179 I CA 1.041 62.164 61.300 -0.296 0.000 1.385 179 I CB -0.348 37.542 38.000 -0.183 0.000 1.064 179 I HN 0.023 nan 8.210 nan 0.000 0.414 180 A N 0.315 123.006 122.820 -0.215 0.000 1.930 180 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 180 A C 2.298 179.755 177.584 -0.212 0.000 1.175 180 A CA 1.763 53.667 52.037 -0.221 0.000 0.627 180 A CB -0.608 18.293 19.000 -0.166 0.000 0.815 180 A HN 0.513 nan 8.150 nan 0.000 0.443 181 E N -1.353 118.747 120.200 -0.166 0.000 2.085 181 E HA -0.266 4.083 4.350 -0.000 0.000 0.194 181 E C 1.841 178.392 176.600 -0.082 0.000 0.994 181 E CA 1.644 57.977 56.400 -0.112 0.000 0.801 181 E CB -0.377 29.268 29.700 -0.091 0.000 0.743 181 E HN 0.702 nan 8.360 nan 0.000 0.453 182 Y N 0.951 121.077 120.300 -0.290 0.000 2.145 182 Y HA -0.166 4.384 4.550 -0.000 0.000 0.286 182 Y C 2.072 177.867 175.900 -0.175 0.000 1.145 182 Y CA 2.005 59.931 58.100 -0.290 0.000 1.148 182 Y CB -0.353 37.717 38.460 -0.650 0.000 0.981 182 Y HN 0.031 nan 8.280 nan 0.000 0.507 183 M N 0.070 119.364 119.600 -0.510 0.000 2.175 183 M HA -0.200 4.280 4.480 -0.000 0.000 0.264 183 M C 1.716 177.867 176.300 -0.249 0.000 1.063 183 M CA 1.477 56.432 55.300 -0.574 0.000 1.119 183 M CB -0.377 31.763 32.600 -0.766 0.000 1.377 183 M HN 0.230 nan 8.290 nan 0.000 0.415 184 N N -0.381 118.160 118.700 -0.266 0.000 2.309 184 N HA -0.164 4.576 4.740 -0.000 0.000 0.182 184 N C 1.549 176.994 175.510 -0.109 0.000 1.018 184 N CA 1.203 54.067 53.050 -0.311 0.000 0.876 184 N CB -0.477 37.631 38.487 -0.630 0.000 0.972 184 N HN 0.450 nan 8.380 nan 0.000 0.434 185 H N 0.928 119.920 119.070 -0.130 0.000 2.353 185 H HA 0.085 4.641 4.556 -0.000 0.000 0.300 185 H C 2.028 177.349 175.328 -0.011 0.000 1.090 185 H CA 1.345 57.371 56.048 -0.037 0.000 1.327 185 H CB -0.189 29.564 29.762 -0.015 0.000 1.383 185 H HN 0.081 nan 8.280 nan 0.000 0.508 186 L N -0.431 120.774 121.223 -0.031 0.000 2.056 186 L HA -0.118 4.221 4.340 -0.000 0.000 0.207 186 L C 2.466 179.325 176.870 -0.019 0.000 1.078 186 L CA 1.044 55.874 54.840 -0.015 0.000 0.749 186 L CB -0.341 41.716 42.059 -0.004 0.000 0.901 186 L HN 0.328 nan 8.230 nan 0.000 0.433 187 I N 0.080 120.657 120.570 0.011 0.000 2.179 187 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 187 I C 1.992 178.124 176.117 0.025 0.000 1.088 187 I CA 1.316 62.614 61.300 -0.003 0.000 1.357 187 I CB -0.373 37.641 38.000 0.023 0.000 1.051 187 I HN 0.278 nan 8.210 nan 0.000 0.409 188 D N 0.714 121.133 120.400 0.032 0.000 2.264 188 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 188 D C 2.172 178.504 176.300 0.054 0.000 0.966 188 D CA 1.089 55.129 54.000 0.066 0.000 0.864 188 D CB -0.067 40.770 40.800 0.062 0.000 0.933 188 D HN 0.384 nan 8.370 nan 0.000 0.499 189 I N -0.470 120.092 120.570 -0.014 0.000 2.439 189 I HA -0.054 4.115 4.170 -0.000 0.000 0.251 189 I C 1.710 177.868 176.117 0.068 0.000 1.139 189 I CA 1.181 62.485 61.300 0.007 0.000 1.438 189 I CB 0.160 38.152 38.000 -0.013 0.000 1.085 189 I HN 0.156 nan 8.210 nan 0.000 0.427 190 G N 0.509 109.332 108.800 0.039 0.000 2.370 190 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.174 190 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.174 190 G C 0.329 175.150 174.900 -0.132 0.000 1.002 190 G CA -0.044 45.065 45.100 0.016 0.000 0.730 190 G HN 0.187 nan 8.290 nan 0.000 0.497 191 V N -0.468 119.319 119.914 -0.212 0.000 2.999 191 V HA 0.696 4.815 4.120 -0.000 0.000 0.307 191 V C 1.295 177.138 176.094 -0.420 0.000 1.084 191 V CA 0.994 63.077 62.300 -0.362 0.000 1.155 191 V CB 1.460 33.028 31.823 -0.426 0.000 0.975 191 V HN 1.323 nan 8.190 nan 0.000 0.490 192 A N 2.702 125.206 122.820 -0.527 0.000 2.267 192 A HA 0.764 5.084 4.320 -0.000 0.000 0.213 192 A C 1.146 178.553 177.584 -0.295 0.000 1.192 192 A CA 0.645 52.379 52.037 -0.504 0.000 0.851 192 A CB -0.473 18.285 19.000 -0.402 0.000 0.881 192 A HN 2.101 nan 8.150 nan 0.000 0.494 193 G N -1.893 106.674 108.800 -0.388 0.000 2.320 193 G HA2 0.478 4.437 3.960 -0.000 0.000 0.296 193 G HA3 0.478 4.437 3.960 -0.000 0.000 0.296 193 G C -1.567 173.013 174.900 -0.533 0.000 1.306 193 G CA -0.712 44.300 45.100 -0.148 0.000 0.836 193 G HN 0.205 nan 8.290 nan 0.000 0.517 194 F N -0.561 119.378 119.950 -0.018 0.000 2.613 194 F HA 0.721 5.248 4.527 -0.000 0.000 0.310 194 F C 0.234 175.656 175.800 -0.630 0.000 1.085 194 F CA -0.889 56.990 58.000 -0.202 0.000 0.945 194 F CB 2.507 41.391 39.000 -0.193 0.000 1.298 194 F HN 0.505 nan 8.300 nan 0.000 0.455 195 R N 2.847 123.059 120.500 -0.479 0.000 2.229 195 R HA 0.577 4.916 4.340 -0.000 0.000 0.332 195 R C -1.655 174.474 176.300 -0.284 0.000 0.989 195 R CA -0.416 55.160 56.100 -0.872 0.000 0.842 195 R CB 0.554 30.517 30.300 -0.562 0.000 1.119 195 R HN 0.800 nan 8.270 nan 0.000 0.456 196 L N 4.627 125.709 121.223 -0.234 0.000 2.268 196 L HA 0.188 4.528 4.340 -0.000 0.000 0.289 196 L C 0.057 176.923 176.870 -0.006 0.000 1.064 196 L CA -0.584 54.205 54.840 -0.084 0.000 0.824 196 L CB 0.908 42.922 42.059 -0.076 0.000 1.202 196 L HN 0.673 nan 8.230 nan 0.000 0.433 197 D N 3.576 124.016 120.400 0.067 0.000 2.424 197 D HA 0.274 4.914 4.640 -0.000 0.000 0.244 197 D C 0.875 177.266 176.300 0.152 0.000 1.134 197 D CA 0.602 54.697 54.000 0.158 0.000 0.881 197 D CB 0.937 41.902 40.800 0.275 0.000 1.191 197 D HN 0.730 nan 8.370 nan 0.000 0.445 198 A N 2.840 125.771 122.820 0.185 0.000 2.745 198 A HA -0.239 4.081 4.320 -0.000 0.000 0.296 198 A C 1.797 179.476 177.584 0.158 0.000 1.500 198 A CA 1.154 53.340 52.037 0.249 0.000 0.766 198 A CB -2.084 17.121 19.000 0.341 0.000 1.030 198 A HN 0.456 nan 8.150 nan 0.000 0.489 199 S N -0.627 115.085 115.700 0.020 0.000 2.419 199 S HA -0.156 4.313 4.470 -0.000 0.000 0.233 199 S C 1.810 176.303 174.600 -0.179 0.000 1.016 199 S CA 1.499 59.653 58.200 -0.078 0.000 0.974 199 S CB -0.134 62.946 63.200 -0.201 0.000 0.786 199 S HN 0.877 nan 8.310 nan 0.000 0.492 200 K N 0.853 121.088 120.400 -0.275 0.000 2.209 200 K HA -0.139 4.180 4.320 -0.000 0.000 0.204 200 K C 1.073 177.450 176.600 -0.371 0.000 1.048 200 K CA 1.193 57.268 56.287 -0.352 0.000 0.940 200 K CB -0.122 32.122 32.500 -0.428 0.000 0.729 200 K HN 0.459 nan 8.250 nan 0.000 0.451 201 H N -0.383 118.658 119.070 -0.049 0.000 2.536 201 H HA 0.181 4.736 4.556 -0.000 0.000 0.276 201 H C -0.008 175.257 175.328 -0.106 0.000 1.019 201 H CA 0.363 56.360 56.048 -0.085 0.000 1.159 201 H CB 0.033 29.785 29.762 -0.018 0.000 1.373 201 H HN 0.190 nan 8.280 nan 0.000 0.584 202 M N -0.341 119.254 119.600 -0.009 0.000 2.530 202 M HA 0.196 4.676 4.480 -0.000 0.000 0.307 202 M C -1.058 175.236 176.300 -0.009 0.000 1.161 202 M CA -0.848 54.461 55.300 0.015 0.000 0.903 202 M CB 2.422 35.091 32.600 0.114 0.000 1.711 202 M HN -0.010 nan 8.290 nan 0.000 0.451 203 W N 2.212 123.558 121.300 0.077 0.000 2.216 203 W HA 0.242 4.902 4.660 -0.000 0.000 0.326 203 W C -1.781 174.718 176.519 -0.033 0.000 1.319 203 W CA -0.937 56.411 57.345 0.005 0.000 1.213 203 W CB -0.164 29.285 29.460 -0.018 0.000 1.171 203 W HN 0.485 nan 8.180 nan 0.000 0.557 204 P HA -0.210 nan 4.420 nan 0.000 0.216 204 P C 1.705 179.018 177.300 0.020 0.000 1.150 204 P CA 2.437 65.446 63.100 -0.152 0.000 0.843 204 P CB 0.109 31.545 31.700 -0.440 0.000 0.787 205 G N -0.654 108.186 108.800 0.065 0.000 2.422 205 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 205 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 205 G C 1.234 176.169 174.900 0.057 0.000 1.140 205 G CA 0.683 45.809 45.100 0.042 0.000 0.775 205 G HN 0.185 nan 8.290 nan 0.000 0.545 206 D N 0.606 121.076 120.400 0.116 0.000 2.149 206 D HA -0.023 4.617 4.640 -0.000 0.000 0.201 206 D C 2.574 178.913 176.300 0.065 0.000 0.972 206 D CA 0.300 54.358 54.000 0.095 0.000 0.835 206 D CB -0.052 40.844 40.800 0.159 0.000 0.966 206 D HN 0.345 nan 8.370 nan 0.000 0.476 207 I N 0.779 121.401 120.570 0.086 0.000 2.179 207 I HA -0.282 3.887 4.170 -0.000 0.000 0.242 207 I C 2.361 178.492 176.117 0.024 0.000 1.088 207 I CA 0.993 62.328 61.300 0.058 0.000 1.357 207 I CB -0.130 37.937 38.000 0.112 0.000 1.051 207 I HN -0.082 nan 8.210 nan 0.000 0.409 208 K N 1.665 122.085 120.400 0.033 0.000 2.063 208 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 208 K C 2.050 178.650 176.600 -0.000 0.000 1.048 208 K CA 1.800 58.097 56.287 0.016 0.000 0.928 208 K CB -0.397 32.116 32.500 0.021 0.000 0.713 208 K HN 0.291 nan 8.250 nan 0.000 0.442 209 A N 0.573 123.394 122.820 0.001 0.000 1.933 209 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 209 A C 2.239 179.809 177.584 -0.025 0.000 1.175 209 A CA 1.764 53.796 52.037 -0.008 0.000 0.628 209 A CB -0.640 18.358 19.000 -0.004 0.000 0.814 209 A HN 0.371 nan 8.150 nan 0.000 0.444 210 I N -0.416 120.133 120.570 -0.035 0.000 2.252 210 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 210 I C 2.268 178.333 176.117 -0.087 0.000 1.102 210 I CA 0.994 62.252 61.300 -0.070 0.000 1.385 210 I CB -0.338 37.610 38.000 -0.087 0.000 1.064 210 I HN 0.277 nan 8.210 nan 0.000 0.414 211 L N 0.291 121.471 121.223 -0.072 0.000 2.131 211 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 211 L C 1.780 178.621 176.870 -0.048 0.000 1.092 211 L CA 1.060 55.857 54.840 -0.073 0.000 0.759 211 L CB -0.697 41.331 42.059 -0.053 0.000 0.903 211 L HN 0.268 nan 8.230 nan 0.000 0.435 212 D N 0.269 120.651 120.400 -0.031 0.000 2.350 212 D HA -0.112 4.528 4.640 -0.000 0.000 0.216 212 D C 1.773 178.067 176.300 -0.010 0.000 0.968 212 D CA 0.978 54.969 54.000 -0.014 0.000 0.894 212 D CB 0.097 40.893 40.800 -0.007 0.000 0.909 212 D HN 0.338 nan 8.370 nan 0.000 0.520 213 K N -0.339 120.043 120.400 -0.030 0.000 2.374 213 K HA 0.085 4.405 4.320 -0.000 0.000 0.196 213 K C 0.082 176.663 176.600 -0.031 0.000 1.023 213 K CA -0.361 55.911 56.287 -0.025 0.000 1.103 213 K CB 0.744 33.213 32.500 -0.052 0.000 0.848 213 K HN -0.051 nan 8.250 nan 0.000 0.528 214 L N 1.346 122.539 121.223 -0.049 0.000 2.395 214 L HA 0.145 4.485 4.340 -0.000 0.000 0.269 214 L C 0.477 177.386 176.870 0.064 0.000 1.133 214 L CA 0.069 54.865 54.840 -0.072 0.000 0.812 214 L CB 0.434 42.444 42.059 -0.082 0.000 1.125 214 L HN 0.141 nan 8.230 nan 0.000 0.452 215 H N 0.907 119.967 119.070 -0.016 0.000 2.534 215 H HA 0.255 4.811 4.556 -0.000 0.000 0.364 215 H C -0.113 175.207 175.328 -0.014 0.000 1.328 215 H CA -0.800 55.242 56.048 -0.010 0.000 1.415 215 H CB 0.696 30.457 29.762 -0.002 0.000 1.573 215 H HN 0.585 nan 8.280 nan 0.000 0.601 216 N N -0.032 118.747 118.700 0.131 0.000 2.445 216 N HA 0.148 4.887 4.740 -0.000 0.000 0.264 216 N C -0.427 175.101 175.510 0.029 0.000 1.227 216 N CA -0.650 52.427 53.050 0.045 0.000 0.963 216 N CB 0.867 39.371 38.487 0.028 0.000 1.188 216 N HN 0.178 nan 8.380 nan 0.000 0.491 217 L N 1.044 122.228 121.223 -0.066 0.000 2.482 217 L HA 0.016 4.356 4.340 -0.000 0.000 0.273 217 L C 0.790 177.708 176.870 0.081 0.000 1.228 217 L CA -0.055 54.693 54.840 -0.153 0.000 0.827 217 L CB -0.048 41.615 42.059 -0.660 0.000 1.099 217 L HN 0.592 nan 8.230 nan 0.000 0.494 218 N N 0.170 119.000 118.700 0.217 0.000 2.386 218 N HA -0.097 4.643 4.740 -0.000 0.000 0.273 218 N C 1.084 176.802 175.510 0.345 0.000 1.331 218 N CA 0.149 53.389 53.050 0.316 0.000 0.891 218 N CB 0.585 39.351 38.487 0.466 0.000 1.139 218 N HN 0.637 nan 8.380 nan 0.000 0.487 219 S N 2.438 118.234 115.700 0.160 0.000 2.595 219 S HA -0.071 4.399 4.470 -0.000 0.000 0.235 219 S C 1.152 175.753 174.600 0.001 0.000 0.974 219 S CA 0.320 58.579 58.200 0.098 0.000 0.942 219 S CB -0.035 63.188 63.200 0.038 0.000 0.766 219 S HN 0.624 nan 8.310 nan 0.000 0.536 220 N N 0.049 118.695 118.700 -0.090 0.000 2.409 220 N HA 0.048 4.788 4.740 -0.000 0.000 0.179 220 N C 0.627 175.857 175.510 -0.465 0.000 1.032 220 N CA 0.869 53.696 53.050 -0.372 0.000 0.898 220 N CB -0.028 38.051 38.487 -0.680 0.000 0.971 220 N HN 0.620 nan 8.380 nan 0.000 0.441 221 W N -0.519 120.714 121.300 -0.111 0.000 2.942 221 W HA 0.284 4.944 4.660 -0.000 0.000 0.260 221 W C -0.211 175.980 176.519 -0.547 0.000 1.101 221 W CA -0.157 56.958 57.345 -0.385 0.000 1.436 221 W CB 0.181 29.267 29.460 -0.623 0.000 0.883 221 W HN -0.186 nan 8.180 nan 0.000 0.646 222 F N 1.724 121.776 119.950 0.171 0.000 2.538 222 F HA 0.489 5.016 4.527 -0.000 0.000 0.325 222 F C -1.745 174.082 175.800 0.045 0.000 1.066 222 F CA -2.804 55.250 58.000 0.089 0.000 0.946 222 F CB 0.102 39.145 39.000 0.072 0.000 1.199 222 F HN -0.430 nan 8.300 nan 0.000 0.473 223 P HA 0.169 nan 4.420 nan 0.000 0.272 223 P C -0.785 176.581 177.300 0.109 0.000 1.223 223 P CA -0.296 62.874 63.100 0.118 0.000 0.784 223 P CB 0.676 32.428 31.700 0.088 0.000 0.923 224 A N 1.546 124.405 122.820 0.066 0.000 2.531 224 A HA 0.387 4.707 4.320 -0.000 0.000 0.236 224 A C 1.492 179.102 177.584 0.042 0.000 1.062 224 A CA 0.818 52.884 52.037 0.048 0.000 0.760 224 A CB -1.418 17.598 19.000 0.027 0.000 0.995 224 A HN 0.935 nan 8.150 nan 0.000 0.501 225 G N 1.393 110.213 108.800 0.033 0.000 2.176 225 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.253 225 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.253 225 G C 0.450 175.363 174.900 0.020 0.000 0.979 225 G CA 0.345 45.459 45.100 0.024 0.000 0.641 225 G HN 1.228 nan 8.290 nan 0.000 0.530 226 S N 1.104 116.818 115.700 0.024 0.000 2.531 226 S HA 0.451 4.921 4.470 -0.000 0.000 0.279 226 S C 0.471 175.042 174.600 -0.049 0.000 1.305 226 S CA 0.129 58.325 58.200 -0.007 0.000 1.058 226 S CB 1.063 64.260 63.200 -0.006 0.000 0.899 226 S HN 0.472 nan 8.310 nan 0.000 0.493 227 K N 3.699 124.072 120.400 -0.045 0.000 2.156 227 K HA 0.422 4.741 4.320 -0.000 0.000 0.254 227 K C -2.550 174.019 176.600 -0.052 0.000 0.950 227 K CA -2.267 53.996 56.287 -0.040 0.000 0.849 227 K CB 0.884 33.369 32.500 -0.024 0.000 1.100 227 K HN 0.341 nan 8.250 nan 0.000 0.434 228 P HA -0.084 nan 4.420 nan 0.000 0.268 228 P C -0.674 176.694 177.300 0.113 0.000 1.205 228 P CA -0.130 62.975 63.100 0.008 0.000 0.771 228 P CB 0.344 32.104 31.700 0.100 0.000 0.858 229 F N 4.663 124.609 119.950 -0.006 0.000 2.504 229 F HA 0.249 4.776 4.527 -0.000 0.000 0.369 229 F C -0.249 175.612 175.800 0.101 0.000 1.082 229 F CA -0.724 57.294 58.000 0.031 0.000 1.216 229 F CB -0.070 38.987 39.000 0.094 0.000 1.108 229 F HN 0.111 nan 8.300 nan 0.000 0.554 230 I N 8.744 129.153 120.570 -0.269 0.000 2.418 230 I HA 0.200 4.370 4.170 -0.000 0.000 0.287 230 I C -1.187 174.687 176.117 -0.405 0.000 1.008 230 I CA -0.766 60.355 61.300 -0.298 0.000 1.104 230 I CB 1.152 39.070 38.000 -0.137 0.000 1.264 230 I HN 0.561 nan 8.210 nan 0.000 0.438 231 Y N 3.396 123.388 120.300 -0.513 0.000 2.338 231 Y HA 0.689 5.239 4.550 -0.000 0.000 0.333 231 Y C -0.630 175.184 175.900 -0.143 0.000 0.968 231 Y CA -1.224 56.663 58.100 -0.355 0.000 1.123 231 Y CB 0.874 39.069 38.460 -0.440 0.000 1.165 231 Y HN 0.486 nan 8.280 nan 0.000 0.452 232 Q N 2.638 122.457 119.800 0.031 0.000 2.257 232 Q HA 0.213 4.553 4.340 -0.000 0.000 0.255 232 Q C -0.643 175.383 176.000 0.043 0.000 0.920 232 Q CA -0.765 55.031 55.803 -0.011 0.000 0.927 232 Q CB 2.093 30.815 28.738 -0.026 0.000 1.229 232 Q HN 0.734 nan 8.270 nan 0.000 0.433 233 E N 3.078 123.307 120.200 0.049 0.000 2.003 233 E HA 0.184 4.534 4.350 -0.000 0.000 0.279 233 E C -1.334 175.304 176.600 0.064 0.000 1.132 233 E CA -0.215 56.282 56.400 0.162 0.000 0.888 233 E CB 0.465 30.280 29.700 0.192 0.000 1.056 233 E HN 0.323 nan 8.360 nan 0.000 0.399 234 V N 7.123 127.093 119.914 0.094 0.000 2.443 234 V HA 0.306 4.426 4.120 -0.000 0.000 0.293 234 V C 0.072 176.211 176.094 0.075 0.000 1.021 234 V CA -0.684 61.572 62.300 -0.072 0.000 0.848 234 V CB 1.574 33.242 31.823 -0.259 0.000 0.998 234 V HN 0.620 nan 8.190 nan 0.000 0.424 235 I N 4.270 124.781 120.570 -0.098 0.000 2.291 235 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 235 I C -0.479 175.591 176.117 -0.078 0.000 1.064 235 I CA 0.213 61.380 61.300 -0.221 0.000 1.269 235 I CB 0.779 38.477 38.000 -0.504 0.000 1.418 235 I HN 0.576 nan 8.210 nan 0.000 0.485 236 D N 7.696 128.116 120.400 0.034 0.000 2.420 236 D HA 0.301 4.941 4.640 -0.000 0.000 0.255 236 D C -0.029 176.309 176.300 0.064 0.000 1.185 236 D CA -0.328 53.696 54.000 0.040 0.000 0.904 236 D CB 1.091 41.930 40.800 0.064 0.000 1.102 236 D HN 0.397 nan 8.370 nan 0.000 0.534 237 L N 2.781 124.025 121.223 0.035 0.000 2.818 237 L HA 0.486 4.826 4.340 -0.000 0.000 0.243 237 L C 1.116 178.015 176.870 0.048 0.000 1.185 237 L CA -0.086 54.786 54.840 0.053 0.000 0.988 237 L CB -0.196 41.884 42.059 0.035 0.000 1.292 237 L HN 0.630 nan 8.230 nan 0.000 0.519 238 G N -0.417 108.408 108.800 0.042 0.000 2.781 238 G HA2 0.083 4.042 3.960 -0.000 0.000 0.683 238 G HA3 0.083 4.042 3.960 -0.000 0.000 0.683 238 G C 0.584 175.497 174.900 0.021 0.000 1.390 238 G CA -0.342 44.779 45.100 0.035 0.000 0.850 238 G HN 0.568 nan 8.290 nan 0.000 0.557 239 G N -0.864 107.947 108.800 0.018 0.000 2.159 239 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.256 239 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.256 239 G C 0.182 175.093 174.900 0.018 0.000 0.977 239 G CA 1.627 46.735 45.100 0.014 0.000 0.652 239 G HN 1.292 nan 8.290 nan 0.000 0.531 240 E N -0.269 119.944 120.200 0.022 0.000 2.299 240 E HA 0.445 4.795 4.350 -0.000 0.000 0.265 240 E C -1.440 175.176 176.600 0.026 0.000 0.911 240 E CA -1.611 54.808 56.400 0.032 0.000 0.789 240 E CB 2.170 31.894 29.700 0.040 0.000 1.246 240 E HN 0.052 nan 8.360 nan 0.000 0.427 241 P HA -0.030 nan 4.420 nan 0.000 0.221 241 P C 0.269 177.577 177.300 0.014 0.000 1.150 241 P CA 0.965 64.076 63.100 0.018 0.000 0.800 241 P CB 0.489 32.199 31.700 0.017 0.000 0.787 242 I N 0.721 121.299 120.570 0.014 0.000 2.395 242 I HA 0.150 4.320 4.170 -0.000 0.000 0.289 242 I C 0.683 176.825 176.117 0.042 0.000 1.023 242 I CA -0.380 60.934 61.300 0.024 0.000 1.350 242 I CB 0.824 38.831 38.000 0.011 0.000 1.409 242 I HN -0.217 nan 8.210 nan 0.000 0.507 243 K N 3.752 124.183 120.400 0.052 0.000 2.259 243 K HA 0.282 4.602 4.320 -0.000 0.000 0.252 243 K C 0.801 177.448 176.600 0.078 0.000 0.936 243 K CA -0.524 55.783 56.287 0.035 0.000 0.810 243 K CB 1.976 34.466 32.500 -0.017 0.000 1.143 243 K HN 0.666 nan 8.250 nan 0.000 0.427 244 S N -0.069 115.666 115.700 0.058 0.000 2.442 244 S HA -0.180 4.290 4.470 -0.000 0.000 0.236 244 S C 1.797 176.313 174.600 -0.139 0.000 1.007 244 S CA 1.445 59.701 58.200 0.093 0.000 0.965 244 S CB -0.364 62.921 63.200 0.141 0.000 0.773 244 S HN 0.667 nan 8.310 nan 0.000 0.504 245 S N 2.091 117.504 115.700 -0.478 0.000 2.447 245 S HA -0.114 4.355 4.470 -0.000 0.000 0.233 245 S C 1.187 175.341 174.600 -0.743 0.000 1.006 245 S CA 0.960 58.378 58.200 -1.302 0.000 0.957 245 S CB -0.575 62.192 63.200 -0.723 0.000 0.773 245 S HN 0.433 nan 8.310 nan 0.000 0.507 246 D N 0.627 120.851 120.400 -0.292 0.000 2.310 246 D HA -0.030 4.609 4.640 -0.000 0.000 0.212 246 D C 0.566 176.696 176.300 -0.283 0.000 0.965 246 D CA 0.919 54.769 54.000 -0.250 0.000 0.879 246 D CB -0.266 40.373 40.800 -0.268 0.000 0.921 246 D HN 0.621 nan 8.370 nan 0.000 0.510 247 Y N -1.032 119.211 120.300 -0.096 0.000 2.458 247 Y HA 0.122 4.672 4.550 -0.000 0.000 0.256 247 Y C 1.447 177.502 175.900 0.257 0.000 1.159 247 Y CA -0.444 57.699 58.100 0.072 0.000 1.261 247 Y CB -0.036 38.478 38.460 0.090 0.000 1.119 247 Y HN -0.170 nan 8.280 nan 0.000 0.524 248 F N -0.090 119.994 119.950 0.223 0.000 2.250 248 F HA -0.084 4.442 4.527 -0.000 0.000 0.301 248 F C 2.290 178.256 175.800 0.278 0.000 1.077 248 F CA 0.982 59.115 58.000 0.222 0.000 1.348 248 F CB -1.262 37.815 39.000 0.127 0.000 1.040 248 F HN 0.119 nan 8.300 nan 0.000 0.509 249 G N -0.563 108.461 108.800 0.373 0.000 2.598 249 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.215 249 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.215 249 G C 1.506 176.540 174.900 0.223 0.000 1.131 249 G CA 0.474 45.743 45.100 0.283 0.000 0.785 249 G HN 0.275 nan 8.290 nan 0.000 0.539 250 N N 0.223 119.052 118.700 0.215 0.000 2.368 250 N HA 0.242 4.982 4.740 -0.000 0.000 0.178 250 N C 1.110 176.618 175.510 -0.004 0.000 1.076 250 N CA 0.972 54.081 53.050 0.099 0.000 0.889 250 N CB 1.254 39.818 38.487 0.129 0.000 1.040 250 N HN 0.435 nan 8.380 nan 0.000 0.463 251 G N -0.121 108.743 108.800 0.106 0.000 2.356 251 G HA2 0.084 4.044 3.960 -0.000 0.000 0.266 251 G HA3 0.084 4.044 3.960 -0.000 0.000 0.266 251 G C -1.267 173.822 174.900 0.314 0.000 1.312 251 G CA -0.903 44.175 45.100 -0.036 0.000 0.922 251 G HN -0.045 nan 8.290 nan 0.000 0.480 252 R N -0.990 119.641 120.500 0.218 0.000 2.652 252 R HA 0.609 4.949 4.340 -0.000 0.000 0.271 252 R C 0.060 176.478 176.300 0.197 0.000 1.129 252 R CA 0.120 56.346 56.100 0.210 0.000 1.200 252 R CB 1.095 31.487 30.300 0.154 0.000 1.146 252 R HN 1.114 nan 8.270 nan 0.000 0.581 253 V N -2.863 117.170 119.914 0.198 0.000 3.007 253 V HA 0.410 4.530 4.120 -0.000 0.000 0.311 253 V C -0.031 176.168 176.094 0.175 0.000 1.120 253 V CA -1.151 61.274 62.300 0.208 0.000 0.980 253 V CB 1.796 33.792 31.823 0.289 0.000 1.033 253 V HN 0.915 nan 8.190 nan 0.000 0.429 254 T N -0.200 114.472 114.554 0.196 0.000 2.834 254 T HA 0.431 4.781 4.350 -0.000 0.000 0.298 254 T C -0.109 174.657 174.700 0.109 0.000 0.966 254 T CA 0.031 62.238 62.100 0.179 0.000 1.141 254 T CB 0.948 69.940 68.868 0.207 0.000 0.905 254 T HN 1.024 nan 8.240 nan 0.000 0.535 255 E N 2.424 122.576 120.200 -0.080 0.000 2.042 255 E HA 0.314 4.663 4.350 -0.000 0.000 0.260 255 E C -0.395 175.982 176.600 -0.372 0.000 0.975 255 E CA -1.118 55.191 56.400 -0.152 0.000 0.799 255 E CB -0.544 29.043 29.700 -0.187 0.000 1.131 255 E HN 0.667 nan 8.360 nan 0.000 0.423 256 F N 2.432 122.302 119.950 -0.133 0.000 2.502 256 F HA 0.020 4.547 4.527 0.000 0.000 0.298 256 F C 1.693 177.381 175.800 -0.186 0.000 1.111 256 F CA 0.715 58.633 58.000 -0.136 0.000 1.445 256 F CB 0.172 39.190 39.000 0.030 0.000 1.081 256 F HN 0.374 nan 8.300 nan 0.000 0.558 257 K N -1.004 119.335 120.400 -0.102 0.000 2.211 257 K HA -0.199 4.120 4.320 -0.000 0.000 0.203 257 K C 1.738 178.115 176.600 -0.372 0.000 1.050 257 K CA 1.013 57.211 56.287 -0.148 0.000 0.945 257 K CB -0.369 32.066 32.500 -0.108 0.000 0.732 257 K HN 0.244 nan 8.250 nan 0.000 0.451 258 Y N 1.401 121.190 120.300 -0.853 0.000 2.049 258 Y HA -0.242 4.308 4.550 -0.000 0.000 0.277 258 Y C 2.430 178.196 175.900 -0.223 0.000 1.143 258 Y CA 2.081 59.719 58.100 -0.768 0.000 1.115 258 Y CB -0.774 37.228 38.460 -0.764 0.000 0.975 258 Y HN 0.045 nan 8.280 nan 0.000 0.487 259 G N -0.750 108.026 108.800 -0.040 0.000 2.408 259 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 259 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 259 G C 1.774 176.681 174.900 0.012 0.000 1.150 259 G CA 0.894 45.998 45.100 0.008 0.000 0.776 259 G HN 0.633 nan 8.290 nan 0.000 0.542 260 A N 0.805 123.642 122.820 0.030 0.000 1.877 260 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 260 A C 2.385 180.008 177.584 0.065 0.000 1.186 260 A CA 1.898 53.974 52.037 0.064 0.000 0.620 260 A CB -0.256 18.805 19.000 0.101 0.000 0.822 260 A HN 0.197 nan 8.150 nan 0.000 0.443 261 K N -0.746 119.728 120.400 0.123 0.000 2.103 261 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 261 K C 1.847 178.471 176.600 0.040 0.000 1.052 261 K CA 0.893 57.306 56.287 0.210 0.000 0.945 261 K CB -0.806 31.969 32.500 0.458 0.000 0.722 261 K HN 0.423 nan 8.250 nan 0.000 0.443 262 L N 0.852 122.039 121.223 -0.060 0.000 2.083 262 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 262 L C 2.011 178.688 176.870 -0.322 0.000 1.083 262 L CA 1.979 56.583 54.840 -0.393 0.000 0.752 262 L CB -0.986 40.825 42.059 -0.414 0.000 0.899 262 L HN 0.212 nan 8.230 nan 0.000 0.433 263 G N -1.739 106.938 108.800 -0.204 0.000 2.402 263 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.216 263 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.216 263 G C 1.546 176.217 174.900 -0.381 0.000 1.162 263 G CA 1.268 46.214 45.100 -0.257 0.000 0.777 263 G HN 0.507 nan 8.290 nan 0.000 0.539 264 T N -0.944 113.451 114.554 -0.265 0.000 2.821 264 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 264 T C 2.289 176.890 174.700 -0.164 0.000 1.046 264 T CA 1.452 63.416 62.100 -0.226 0.000 1.139 264 T CB -0.352 68.560 68.868 0.073 0.000 0.871 264 T HN 0.007 nan 8.240 nan 0.000 0.454 265 V N 1.366 121.184 119.914 -0.159 0.000 2.307 265 V HA 0.001 4.120 4.120 -0.000 0.000 0.245 265 V C 2.714 178.642 176.094 -0.276 0.000 1.045 265 V CA 1.547 63.740 62.300 -0.178 0.000 1.024 265 V CB -0.547 31.108 31.823 -0.280 0.000 0.651 265 V HN 0.495 nan 8.190 nan 0.000 0.449 266 I N -0.494 119.861 120.570 -0.359 0.000 2.394 266 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 266 I C 2.536 178.487 176.117 -0.277 0.000 1.136 266 I CA 1.300 62.394 61.300 -0.344 0.000 1.425 266 I CB -0.297 37.487 38.000 -0.360 0.000 1.079 266 I HN 0.207 nan 8.210 nan 0.000 0.425 267 R N 0.950 121.240 120.500 -0.350 0.000 2.275 267 R HA 0.026 4.366 4.340 -0.000 0.000 0.199 267 R C 0.268 176.487 176.300 -0.136 0.000 0.989 267 R CA 0.175 56.055 56.100 -0.366 0.000 1.016 267 R CB 0.055 29.787 30.300 -0.947 0.000 0.918 267 R HN 0.168 nan 8.270 nan 0.000 0.473 268 K N -0.519 119.818 120.400 -0.105 0.000 3.117 268 K HA -0.154 4.165 4.320 -0.000 0.000 0.269 268 K C -1.113 175.624 176.600 0.229 0.000 1.098 268 K CA 0.295 56.598 56.287 0.026 0.000 0.785 268 K CB -1.053 31.451 32.500 0.007 0.000 1.242 268 K HN 0.139 nan 8.250 nan 0.000 0.491 269 W N 2.351 123.642 121.300 -0.015 0.000 2.218 269 W HA 0.104 4.765 4.660 0.000 0.000 0.326 269 W C 0.977 177.507 176.519 0.018 0.000 1.276 269 W CA -0.046 57.300 57.345 0.001 0.000 1.210 269 W CB -0.241 29.222 29.460 0.006 0.000 1.143 269 W HN 0.438 nan 8.180 nan 0.000 0.563 270 N N 0.161 118.973 118.700 0.187 0.000 2.689 270 N HA -0.204 4.536 4.740 -0.000 0.000 0.263 270 N C 0.667 176.248 175.510 0.118 0.000 0.987 270 N CA 1.522 54.635 53.050 0.106 0.000 0.782 270 N CB -1.493 37.046 38.487 0.087 0.000 0.903 270 N HN 1.078 nan 8.380 nan 0.000 0.547 271 G N -2.421 106.446 108.800 0.111 0.000 2.184 271 G HA2 -0.374 3.585 3.960 -0.000 0.000 0.264 271 G HA3 -0.374 3.585 3.960 -0.000 0.000 0.264 271 G C -0.084 174.901 174.900 0.142 0.000 0.975 271 G CA 0.474 45.642 45.100 0.114 0.000 0.642 271 G HN 0.695 nan 8.290 nan 0.000 0.536 272 E N 0.971 121.263 120.200 0.152 0.000 2.398 272 E HA 0.430 4.780 4.350 -0.000 0.000 0.263 272 E C 0.695 177.250 176.600 -0.075 0.000 1.046 272 E CA 0.610 57.103 56.400 0.156 0.000 0.908 272 E CB 0.815 30.620 29.700 0.175 0.000 0.963 272 E HN 0.802 nan 8.360 nan 0.000 0.431 273 K N 0.741 120.953 120.400 -0.313 0.000 2.532 273 K HA 0.364 4.684 4.320 -0.000 0.000 0.265 273 K C 0.628 177.004 176.600 -0.372 0.000 0.948 273 K CA -0.773 55.262 56.287 -0.420 0.000 0.842 273 K CB 1.082 33.239 32.500 -0.572 0.000 1.392 273 K HN 0.187 nan 8.250 nan 0.000 0.436 274 M N 1.181 120.595 119.600 -0.310 0.000 2.267 274 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 274 M C 1.775 178.028 176.300 -0.078 0.000 1.063 274 M CA 2.082 57.206 55.300 -0.293 0.000 1.090 274 M CB -0.388 31.994 32.600 -0.362 0.000 1.392 274 M HN 0.884 nan 8.290 nan 0.000 0.422 275 S N -0.311 115.346 115.700 -0.071 0.000 2.442 275 S HA -0.158 4.311 4.470 -0.000 0.000 0.236 275 S C 1.490 176.290 174.600 0.334 0.000 1.007 275 S CA 0.857 59.166 58.200 0.182 0.000 0.965 275 S CB -0.713 62.519 63.200 0.054 0.000 0.773 275 S HN 0.445 nan 8.310 nan 0.000 0.504 276 Y N 1.679 122.067 120.300 0.147 0.000 2.571 276 Y HA 0.305 4.855 4.550 -0.000 0.000 0.294 276 Y C 1.747 177.817 175.900 0.283 0.000 1.141 276 Y CA -0.730 57.480 58.100 0.184 0.000 1.308 276 Y CB -0.833 37.755 38.460 0.213 0.000 1.002 276 Y HN 0.298 nan 8.280 nan 0.000 0.551 277 L N -0.135 121.234 121.223 0.243 0.000 2.610 277 L HA -0.074 4.266 4.340 -0.000 0.000 0.232 277 L C 2.286 179.044 176.870 -0.186 0.000 1.149 277 L CA 0.489 55.310 54.840 -0.032 0.000 0.872 277 L CB -0.348 41.453 42.059 -0.430 0.000 0.992 277 L HN 0.095 nan 8.230 nan 0.000 0.447 278 K N 1.757 121.888 120.400 -0.449 0.000 2.113 278 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 278 K C 1.238 177.541 176.600 -0.495 0.000 1.047 278 K CA 1.750 57.374 56.287 -1.105 0.000 0.928 278 K CB 0.066 32.017 32.500 -0.915 0.000 0.716 278 K HN 0.436 nan 8.250 nan 0.000 0.446 279 N N -0.312 118.299 118.700 -0.148 0.000 2.380 279 N HA -0.082 4.658 4.740 -0.000 0.000 0.255 279 N C -0.531 174.999 175.510 0.034 0.000 1.158 279 N CA -0.481 52.532 53.050 -0.062 0.000 0.878 279 N CB -0.535 37.936 38.487 -0.026 0.000 1.138 279 N HN 0.247 nan 8.380 nan 0.000 0.509 280 W N 1.503 122.577 121.300 -0.377 0.000 2.293 280 W HA 0.291 4.950 4.660 -0.001 0.000 0.342 280 W C 0.504 176.637 176.519 -0.643 0.000 1.274 280 W CA 2.149 59.020 57.345 -0.790 0.000 1.290 280 W CB 0.428 29.379 29.460 -0.848 0.000 1.176 280 W HN 0.456 nan 8.180 nan 0.000 0.570 281 G N 3.870 111.882 108.800 -1.314 0.000 2.301 281 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.194 281 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.194 281 G C 0.284 174.735 174.900 -0.749 0.000 1.266 281 G CA 0.045 44.514 45.100 -1.051 0.000 1.210 281 G HN 0.453 nan 8.290 nan 0.000 0.524 282 E N 0.619 120.679 120.200 -0.234 0.000 2.209 282 E HA 0.030 4.379 4.350 -0.000 0.000 0.196 282 E C 2.489 178.978 176.600 -0.185 0.000 0.993 282 E CA 1.731 58.071 56.400 -0.100 0.000 0.819 282 E CB -0.507 29.215 29.700 0.037 0.000 0.745 282 E HN 0.856 nan 8.360 nan 0.000 0.477 283 G N -0.544 108.146 108.800 -0.184 0.000 2.501 283 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 283 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 283 G C 0.377 175.165 174.900 -0.187 0.000 1.114 283 G CA 0.336 45.356 45.100 -0.133 0.000 0.757 283 G HN 0.259 nan 8.290 nan 0.000 0.559 284 W N -0.256 120.613 121.300 -0.718 0.000 3.123 284 W HA 0.463 5.123 4.660 -0.000 0.000 0.383 284 W C 1.470 177.577 176.519 -0.687 0.000 1.102 284 W CA -0.548 56.300 57.345 -0.828 0.000 1.865 284 W CB 0.085 28.714 29.460 -1.386 0.000 1.111 284 W HN 0.268 nan 8.180 nan 0.000 0.621 285 G N -0.032 108.606 108.800 -0.270 0.000 2.137 285 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.237 285 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.237 285 G C -0.069 174.917 174.900 0.145 0.000 1.002 285 G CA -0.470 44.594 45.100 -0.060 0.000 0.702 285 G HN -0.005 nan 8.290 nan 0.000 0.515 286 F N 0.007 119.908 119.950 -0.081 0.000 2.370 286 F HA 0.640 5.167 4.527 -0.000 0.000 0.319 286 F C 1.401 177.255 175.800 0.089 0.000 1.129 286 F CA -1.442 56.521 58.000 -0.061 0.000 1.109 286 F CB 0.478 39.291 39.000 -0.312 0.000 1.262 286 F HN 0.333 nan 8.300 nan 0.000 0.534 287 V N -0.391 119.756 119.914 0.389 0.000 3.237 287 V HA 0.298 4.418 4.120 -0.000 0.000 0.305 287 V C -2.510 173.751 176.094 0.279 0.000 1.096 287 V CA -1.820 60.693 62.300 0.356 0.000 1.130 287 V CB -0.385 31.672 31.823 0.389 0.000 1.048 287 V HN 0.516 nan 8.190 nan 0.000 0.484 288 P HA 0.074 nan 4.420 nan 0.000 0.266 288 P C 0.970 178.191 177.300 -0.132 0.000 1.195 288 P CA 0.653 63.747 63.100 -0.012 0.000 0.768 288 P CB 0.729 32.337 31.700 -0.154 0.000 0.838 289 S N 2.508 118.090 115.700 -0.197 0.000 2.374 289 S HA -0.196 4.274 4.470 -0.000 0.000 0.227 289 S C 1.303 175.664 174.600 -0.398 0.000 1.037 289 S CA 1.920 59.767 58.200 -0.589 0.000 1.024 289 S CB -0.893 62.058 63.200 -0.415 0.000 0.861 289 S HN 0.617 nan 8.310 nan 0.000 0.456 290 D N -0.494 119.746 120.400 -0.267 0.000 2.378 290 D HA -0.042 4.598 4.640 -0.000 0.000 0.227 290 D C 1.140 177.295 176.300 -0.242 0.000 1.012 290 D CA 0.253 54.119 54.000 -0.223 0.000 0.905 290 D CB -0.189 40.485 40.800 -0.209 0.000 0.895 290 D HN 0.318 nan 8.370 nan 0.000 0.532 291 R N -0.031 120.289 120.500 -0.299 0.000 2.535 291 R HA 0.403 4.743 4.340 -0.000 0.000 0.323 291 R C -0.017 176.206 176.300 -0.129 0.000 0.979 291 R CA -0.253 55.669 56.100 -0.295 0.000 1.120 291 R CB 1.133 30.956 30.300 -0.795 0.000 1.306 291 R HN 0.135 nan 8.270 nan 0.000 0.540 292 A N 1.415 124.150 122.820 -0.142 0.000 2.337 292 A HA 0.580 4.900 4.320 -0.000 0.000 0.329 292 A C -0.792 176.763 177.584 -0.048 0.000 1.146 292 A CA -0.516 51.469 52.037 -0.087 0.000 0.800 292 A CB 1.234 20.139 19.000 -0.159 0.000 1.220 292 A HN 0.114 nan 8.150 nan 0.000 0.472 293 L N 4.727 125.947 121.223 -0.004 0.000 2.316 293 L HA 0.641 4.981 4.340 -0.000 0.000 0.280 293 L C -0.434 176.414 176.870 -0.037 0.000 1.006 293 L CA -0.370 54.476 54.840 0.010 0.000 0.836 293 L CB 0.870 42.909 42.059 -0.034 0.000 1.221 293 L HN 0.698 nan 8.230 nan 0.000 0.418 294 V N 3.086 122.899 119.914 -0.170 0.000 2.975 294 V HA 0.844 4.964 4.120 -0.000 0.000 0.318 294 V C -0.660 175.291 176.094 -0.239 0.000 1.077 294 V CA -0.603 61.400 62.300 -0.496 0.000 1.000 294 V CB 1.841 33.053 31.823 -1.019 0.000 1.066 294 V HN 0.739 nan 8.190 nan 0.000 0.452 295 F N -1.121 118.588 119.950 -0.402 0.000 2.769 295 F HA 0.722 5.249 4.527 -0.001 0.000 0.313 295 F C -0.041 175.741 175.800 -0.031 0.000 1.146 295 F CA -0.868 57.016 58.000 -0.194 0.000 0.934 295 F CB 0.599 39.500 39.000 -0.164 0.000 1.283 295 F HN 0.246 nan 8.300 nan 0.000 0.443 296 V N 0.043 120.068 119.914 0.186 0.000 2.379 296 V HA 0.043 4.163 4.120 -0.000 0.000 0.243 296 V C 0.193 176.458 176.094 0.286 0.000 1.035 296 V CA 1.979 64.391 62.300 0.187 0.000 1.035 296 V CB -0.499 31.406 31.823 0.137 0.000 0.673 296 V HN 0.916 nan 8.190 nan 0.000 0.457 297 D N -0.336 120.311 120.400 0.412 0.000 2.552 297 D HA 0.309 4.949 4.640 -0.000 0.000 0.239 297 D C -1.025 175.468 176.300 0.321 0.000 1.139 297 D CA -0.623 53.601 54.000 0.373 0.000 0.914 297 D CB 1.880 42.848 40.800 0.280 0.000 1.461 297 D HN 0.291 nan 8.370 nan 0.000 0.462 298 N N -1.586 117.208 118.700 0.155 0.000 2.761 298 N HA 0.087 4.827 4.740 -0.000 0.000 0.283 298 N C 1.190 176.606 175.510 -0.156 0.000 1.377 298 N CA -0.494 52.507 53.050 -0.080 0.000 0.791 298 N CB 0.524 38.800 38.487 -0.352 0.000 1.540 298 N HN 0.605 nan 8.380 nan 0.000 0.539 299 H N -0.785 118.101 119.070 -0.306 0.000 2.422 299 H HA -0.058 4.498 4.556 -0.000 0.000 0.298 299 H C -0.091 174.854 175.328 -0.638 0.000 1.098 299 H CA 1.444 57.059 56.048 -0.721 0.000 1.315 299 H CB -0.098 28.948 29.762 -1.193 0.000 1.382 299 H HN 0.526 nan 8.280 nan 0.000 0.523 300 D N 1.475 121.334 120.400 -0.902 0.000 2.106 300 D HA -0.124 4.516 4.640 -0.000 0.000 0.203 300 D C 1.871 178.088 176.300 -0.139 0.000 0.977 300 D CA 1.477 55.183 54.000 -0.490 0.000 0.844 300 D CB -0.222 40.377 40.800 -0.334 0.000 1.002 300 D HN 0.575 nan 8.370 nan 0.000 0.461 301 N N 1.140 119.818 118.700 -0.037 0.000 2.515 301 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 301 N C 1.473 177.045 175.510 0.102 0.000 1.109 301 N CA 0.506 53.606 53.050 0.083 0.000 0.903 301 N CB -0.638 37.952 38.487 0.172 0.000 0.969 301 N HN 0.353 nan 8.380 nan 0.000 0.450 302 Q N 0.513 120.347 119.800 0.057 0.000 2.435 302 Q HA -0.016 4.324 4.340 -0.000 0.000 0.207 302 Q C 0.748 176.905 176.000 0.260 0.000 0.956 302 Q CA 0.549 56.438 55.803 0.144 0.000 0.917 302 Q CB -0.106 28.708 28.738 0.126 0.000 0.997 302 Q HN 0.576 nan 8.270 nan 0.000 0.497 303 R N -0.794 119.791 120.500 0.142 0.000 2.629 303 R HA 0.417 4.757 4.340 -0.000 0.000 0.386 303 R C 0.497 176.933 176.300 0.228 0.000 1.071 303 R CA 0.004 56.229 56.100 0.207 0.000 1.104 303 R CB 0.293 30.515 30.300 -0.130 0.000 1.370 303 R HN 0.166 nan 8.270 nan 0.000 0.574 304 G N 1.299 110.206 108.800 0.178 0.000 2.225 304 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.267 304 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.267 304 G C 0.289 175.203 174.900 0.023 0.000 1.024 304 G CA 0.531 45.699 45.100 0.112 0.000 0.784 304 G HN 0.606 nan 8.290 nan 0.000 0.507 305 H N -0.799 118.318 119.070 0.078 0.000 2.652 305 H HA 0.291 4.847 4.556 -0.000 0.000 0.274 305 H C 1.821 177.160 175.328 0.019 0.000 1.021 305 H CA 1.058 57.162 56.048 0.093 0.000 1.187 305 H CB 0.825 30.733 29.762 0.243 0.000 1.505 305 H HN 0.506 nan 8.280 nan 0.000 0.530 306 G N 0.166 109.010 108.800 0.073 0.000 3.110 306 G HA2 0.547 4.506 3.960 -0.000 0.000 0.207 306 G HA3 0.547 4.506 3.960 -0.000 0.000 0.207 306 G C -0.778 174.075 174.900 -0.077 0.000 1.841 306 G CA 0.365 45.450 45.100 -0.025 0.000 0.751 306 G HN 0.273 nan 8.290 nan 0.000 0.771 307 A N -2.377 120.390 122.820 -0.088 0.000 2.475 307 A HA 0.728 5.047 4.320 -0.000 0.000 0.301 307 A C 0.405 178.037 177.584 0.080 0.000 1.059 307 A CA 0.415 52.407 52.037 -0.076 0.000 0.710 307 A CB 1.307 20.161 19.000 -0.243 0.000 1.288 307 A HN 2.252 nan 8.150 nan 0.000 0.408 308 G N 0.019 108.867 108.800 0.080 0.000 2.617 308 G HA2 0.444 4.404 3.960 -0.000 0.000 0.197 308 G HA3 0.444 4.404 3.960 -0.000 0.000 0.197 308 G C 1.691 176.658 174.900 0.112 0.000 1.017 308 G CA 1.037 46.210 45.100 0.121 0.000 0.713 308 G HN 2.950 nan 8.290 nan 0.000 0.481 309 G N 0.291 109.152 108.800 0.101 0.000 2.539 309 G HA2 0.197 4.157 3.960 -0.000 0.000 0.256 309 G HA3 0.197 4.157 3.960 -0.000 0.000 0.256 309 G C 1.299 176.288 174.900 0.148 0.000 1.233 309 G CA 2.096 47.266 45.100 0.115 0.000 0.936 309 G HN 1.928 nan 8.290 nan 0.000 0.571 310 A N -0.292 122.650 122.820 0.203 0.000 2.209 310 A HA 0.345 4.665 4.320 -0.000 0.000 0.212 310 A C 2.598 180.326 177.584 0.240 0.000 1.158 310 A CA 2.624 54.819 52.037 0.265 0.000 0.742 310 A CB -0.641 18.556 19.000 0.329 0.000 0.790 310 A HN 2.169 nan 8.150 nan 0.000 0.472 311 S N -0.286 115.490 115.700 0.128 0.000 2.461 311 S HA 0.089 4.559 4.470 -0.000 0.000 0.228 311 S C 0.792 175.272 174.600 -0.201 0.000 1.005 311 S CA -0.153 57.873 58.200 -0.290 0.000 0.942 311 S CB -0.425 62.683 63.200 -0.154 0.000 0.776 311 S HN 0.269 nan 8.310 nan 0.000 0.514 312 I N 3.037 123.596 120.570 -0.019 0.000 2.826 312 I HA 0.077 4.246 4.170 -0.000 0.000 0.295 312 I C 0.317 176.451 176.117 0.029 0.000 1.213 312 I CA 0.083 61.404 61.300 0.036 0.000 1.436 312 I CB -0.572 37.495 38.000 0.112 0.000 1.348 312 I HN 0.342 nan 8.210 nan 0.000 0.570 313 L N 6.895 128.159 121.223 0.068 0.000 2.325 313 L HA 0.481 4.820 4.340 -0.000 0.000 0.279 313 L C 0.607 177.571 176.870 0.157 0.000 1.054 313 L CA -0.289 54.624 54.840 0.121 0.000 0.804 313 L CB 1.656 43.822 42.059 0.179 0.000 1.200 313 L HN 0.782 nan 8.230 nan 0.000 0.436 314 T N -2.040 112.463 114.554 -0.085 0.000 2.804 314 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 314 T C 0.796 174.972 174.700 -0.874 0.000 1.099 314 T CA -0.641 61.138 62.100 -0.536 0.000 1.011 314 T CB 0.781 69.493 68.868 -0.260 0.000 1.291 314 T HN 0.422 nan 8.240 nan 0.000 0.523 315 F N -1.110 118.290 119.950 -0.918 0.000 2.307 315 F HA 0.118 4.645 4.527 -0.000 0.000 0.301 315 F C 1.726 177.448 175.800 -0.130 0.000 1.076 315 F CA 0.181 57.892 58.000 -0.483 0.000 1.383 315 F CB -1.128 37.638 39.000 -0.390 0.000 1.055 315 F HN 0.566 nan 8.300 nan 0.000 0.526 316 W N 1.548 122.388 121.300 -0.767 0.000 2.374 316 W HA -0.126 4.534 4.660 0.000 0.000 0.288 316 W C 0.835 177.272 176.519 -0.136 0.000 1.218 316 W CA 0.983 58.060 57.345 -0.446 0.000 1.245 316 W CB -0.228 28.910 29.460 -0.536 0.000 1.126 316 W HN -0.005 nan 8.180 nan 0.000 0.545 317 D N 0.002 120.468 120.400 0.110 0.000 3.179 317 D HA 0.243 4.883 4.640 -0.000 0.000 0.267 317 D C 1.511 177.939 176.300 0.213 0.000 1.348 317 D CA 0.327 54.407 54.000 0.135 0.000 0.897 317 D CB 0.104 40.962 40.800 0.096 0.000 1.062 317 D HN 0.027 nan 8.370 nan 0.000 0.494 318 A N 1.397 124.372 122.820 0.259 0.000 1.906 318 A HA -0.353 3.967 4.320 -0.000 0.000 0.222 318 A C 2.194 179.979 177.584 0.334 0.000 1.282 318 A CA 1.981 54.241 52.037 0.373 0.000 0.675 318 A CB -0.495 18.623 19.000 0.197 0.000 0.838 318 A HN 0.342 nan 8.150 nan 0.000 0.469 319 R N -0.621 119.999 120.500 0.200 0.000 2.080 319 R HA -0.086 4.253 4.340 -0.000 0.000 0.236 319 R C 2.134 178.534 176.300 0.166 0.000 1.137 319 R CA 1.923 58.124 56.100 0.169 0.000 0.943 319 R CB -0.409 29.955 30.300 0.107 0.000 0.846 319 R HN 0.573 nan 8.270 nan 0.000 0.431 320 L N -0.725 120.576 121.223 0.130 0.000 2.156 320 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 320 L C 2.241 179.171 176.870 0.100 0.000 1.095 320 L CA 0.758 55.635 54.840 0.062 0.000 0.770 320 L CB -0.503 41.562 42.059 0.012 0.000 0.914 320 L HN 0.285 nan 8.230 nan 0.000 0.439 321 Y N 1.399 121.744 120.300 0.076 0.000 2.145 321 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 321 Y C 2.525 178.499 175.900 0.123 0.000 1.145 321 Y CA 1.504 59.664 58.100 0.101 0.000 1.148 321 Y CB -0.103 38.467 38.460 0.183 0.000 0.981 321 Y HN -0.013 nan 8.280 nan 0.000 0.507 322 K N -0.582 119.957 120.400 0.232 0.000 2.147 322 K HA -0.218 4.102 4.320 -0.000 0.000 0.205 322 K C 2.243 178.824 176.600 -0.032 0.000 1.049 322 K CA 1.757 58.167 56.287 0.205 0.000 0.936 322 K CB -0.230 32.529 32.500 0.433 0.000 0.722 322 K HN 0.397 nan 8.250 nan 0.000 0.446 323 M N -0.025 119.469 119.600 -0.176 0.000 2.132 323 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 323 M C 2.278 178.368 176.300 -0.351 0.000 1.065 323 M CA 1.372 56.356 55.300 -0.527 0.000 1.122 323 M CB -0.106 32.297 32.600 -0.329 0.000 1.365 323 M HN 0.219 nan 8.290 nan 0.000 0.411 324 A N -0.536 122.127 122.820 -0.261 0.000 1.877 324 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 324 A C 2.049 179.542 177.584 -0.152 0.000 1.186 324 A CA 1.570 53.467 52.037 -0.234 0.000 0.620 324 A CB -0.975 17.908 19.000 -0.196 0.000 0.822 324 A HN 0.330 nan 8.150 nan 0.000 0.443 325 V N -0.039 119.731 119.914 -0.240 0.000 2.407 325 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 325 V C 2.776 178.837 176.094 -0.055 0.000 1.055 325 V CA 1.860 64.049 62.300 -0.184 0.000 1.049 325 V CB -1.384 30.250 31.823 -0.314 0.000 0.662 325 V HN 0.617 nan 8.190 nan 0.000 0.455 326 G N -0.887 107.879 108.800 -0.056 0.000 2.418 326 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.217 326 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.217 326 G C 1.561 176.521 174.900 0.100 0.000 1.158 326 G CA 0.933 46.043 45.100 0.017 0.000 0.771 326 G HN 0.481 nan 8.290 nan 0.000 0.545 327 F N 0.952 120.893 119.950 -0.015 0.000 2.134 327 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 327 F C 2.631 178.489 175.800 0.097 0.000 1.097 327 F CA 2.023 60.025 58.000 0.004 0.000 1.264 327 F CB -0.116 38.601 39.000 -0.472 0.000 1.001 327 F HN 0.160 nan 8.300 nan 0.000 0.479 328 M N -0.038 119.660 119.600 0.164 0.000 2.080 328 M HA -0.225 4.254 4.480 -0.000 0.000 0.260 328 M C 1.964 178.328 176.300 0.107 0.000 1.068 328 M CA 1.965 57.398 55.300 0.221 0.000 1.109 328 M CB -0.463 32.277 32.600 0.232 0.000 1.342 328 M HN 0.292 nan 8.290 nan 0.000 0.405 329 L N -0.014 121.235 121.223 0.043 0.000 2.275 329 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 329 L C 2.588 179.505 176.870 0.078 0.000 1.119 329 L CA 0.829 55.683 54.840 0.024 0.000 0.790 329 L CB -0.749 41.305 42.059 -0.008 0.000 0.919 329 L HN 0.438 nan 8.230 nan 0.000 0.443 330 A N -2.046 120.800 122.820 0.042 0.000 1.984 330 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 330 A C 1.191 178.984 177.584 0.348 0.000 1.173 330 A CA 0.213 52.331 52.037 0.135 0.000 0.673 330 A CB -0.333 18.592 19.000 -0.124 0.000 0.830 330 A HN 0.290 nan 8.150 nan 0.000 0.453 331 H N 1.081 120.202 119.070 0.086 0.000 2.683 331 H HA 0.168 4.724 4.556 -0.000 0.000 0.339 331 H C -1.675 173.714 175.328 0.103 0.000 1.081 331 H CA -1.397 54.651 56.048 0.000 0.000 1.432 331 H CB 1.451 31.018 29.762 -0.325 0.000 1.462 331 H HN 0.108 nan 8.280 nan 0.000 0.557 332 P HA -0.161 nan 4.420 nan 0.000 0.225 332 P C 0.254 177.665 177.300 0.186 0.000 1.148 332 P CA 0.636 63.762 63.100 0.043 0.000 0.779 332 P CB -0.160 31.511 31.700 -0.048 0.000 0.780 333 Y N 2.191 122.704 120.300 0.355 0.000 2.526 333 Y HA 0.337 4.887 4.550 -0.000 0.000 0.330 333 Y C 1.283 177.242 175.900 0.099 0.000 1.156 333 Y CA 1.249 59.483 58.100 0.224 0.000 1.419 333 Y CB -0.221 38.376 38.460 0.228 0.000 1.250 333 Y HN 0.304 nan 8.280 nan 0.000 0.540 334 G N 4.535 112.950 108.800 -0.642 0.000 2.806 334 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.236 334 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.236 334 G C -1.329 173.495 174.900 -0.125 0.000 1.387 334 G CA -0.183 44.636 45.100 -0.469 0.000 0.884 334 G HN 0.925 nan 8.290 nan 0.000 0.560 335 F N 1.889 121.705 119.950 -0.223 0.000 2.427 335 F HA 0.641 5.168 4.527 -0.000 0.000 0.346 335 F C 1.133 176.832 175.800 -0.168 0.000 1.120 335 F CA -0.003 57.895 58.000 -0.170 0.000 1.033 335 F CB 1.525 40.433 39.000 -0.153 0.000 1.126 335 F HN 0.839 nan 8.300 nan 0.000 0.462 336 T N 4.082 118.231 114.554 -0.675 0.000 2.856 336 T HA 0.428 4.778 4.350 -0.000 0.000 0.292 336 T C -0.342 174.085 174.700 -0.455 0.000 0.980 336 T CA -0.863 60.956 62.100 -0.468 0.000 1.091 336 T CB 1.342 70.009 68.868 -0.335 0.000 0.936 336 T HN 0.792 nan 8.240 nan 0.000 0.503 337 R N 2.341 122.719 120.500 -0.204 0.000 2.480 337 R HA 0.593 4.933 4.340 -0.000 0.000 0.306 337 R C -1.459 174.835 176.300 -0.011 0.000 0.958 337 R CA -0.719 55.313 56.100 -0.113 0.000 0.861 337 R CB 1.449 31.690 30.300 -0.098 0.000 1.171 337 R HN 0.606 nan 8.270 nan 0.000 0.445 338 V N 5.433 125.359 119.914 0.021 0.000 2.481 338 V HA 0.321 4.441 4.120 -0.000 0.000 0.286 338 V C 0.224 176.378 176.094 0.100 0.000 1.042 338 V CA -0.690 61.657 62.300 0.078 0.000 0.928 338 V CB 1.494 33.400 31.823 0.138 0.000 0.986 338 V HN 0.789 nan 8.190 nan 0.000 0.462 339 M N 4.010 123.690 119.600 0.133 0.000 2.277 339 M HA 0.510 4.990 4.480 -0.000 0.000 0.350 339 M C -0.174 176.172 176.300 0.077 0.000 1.180 339 M CA 0.574 55.952 55.300 0.130 0.000 1.103 339 M CB 1.490 34.199 32.600 0.182 0.000 1.577 339 M HN 0.623 nan 8.290 nan 0.000 0.459 340 S N 2.595 118.311 115.700 0.027 0.000 2.733 340 S HA 0.785 5.255 4.470 -0.000 0.000 0.294 340 S C -1.212 173.467 174.600 0.132 0.000 1.149 340 S CA -0.619 57.611 58.200 0.049 0.000 1.034 340 S CB 0.595 63.759 63.200 -0.060 0.000 1.015 340 S HN 0.844 nan 8.310 nan 0.000 0.486 341 S N 2.975 118.725 115.700 0.084 0.000 2.798 341 S HA 0.814 5.284 4.470 -0.000 0.000 0.312 341 S C -1.293 173.395 174.600 0.147 0.000 1.122 341 S CA -0.774 57.484 58.200 0.097 0.000 0.949 341 S CB 0.658 63.807 63.200 -0.084 0.000 1.235 341 S HN 0.786 nan 8.310 nan 0.000 0.552 342 Y N -0.931 119.432 120.300 0.106 0.000 2.536 342 Y HA 0.767 5.317 4.550 -0.000 0.000 0.347 342 Y C -0.463 175.434 175.900 -0.006 0.000 1.000 342 Y CA -1.434 56.613 58.100 -0.088 0.000 1.051 342 Y CB 0.741 38.994 38.460 -0.344 0.000 1.259 342 Y HN 0.418 nan 8.280 nan 0.000 0.468 343 R N 1.530 122.099 120.500 0.116 0.000 2.490 343 R HA 0.466 4.806 4.340 -0.000 0.000 0.278 343 R C -1.458 175.158 176.300 0.527 0.000 1.069 343 R CA -0.353 55.863 56.100 0.194 0.000 1.080 343 R CB 0.891 31.199 30.300 0.013 0.000 1.030 343 R HN 0.958 nan 8.270 nan 0.000 0.491 344 W N 1.427 122.976 121.300 0.417 0.000 3.083 344 W HA 0.464 5.123 4.660 -0.001 0.000 0.333 344 W C -2.621 174.057 176.519 0.265 0.000 1.217 344 W CA -2.544 54.968 57.345 0.279 0.000 1.170 344 W CB 0.434 30.047 29.460 0.255 0.000 1.437 344 W HN 0.313 nan 8.180 nan 0.000 0.557 345 P HA 0.128 nan 4.420 nan 0.000 0.256 345 P C -0.301 176.935 177.300 -0.108 0.000 1.688 345 P CA 0.019 63.120 63.100 0.002 0.000 1.162 345 P CB 0.293 32.022 31.700 0.049 0.000 1.870 346 R N 2.432 122.656 120.500 -0.460 0.000 2.458 346 R HA 0.020 4.360 4.340 -0.000 0.000 0.303 346 R C 0.496 176.582 176.300 -0.356 0.000 1.013 346 R CA 0.420 56.203 56.100 -0.527 0.000 1.026 346 R CB 0.194 29.897 30.300 -0.995 0.000 0.948 346 R HN 0.473 nan 8.270 nan 0.000 0.417 347 Q N 4.028 123.665 119.800 -0.272 0.000 2.523 347 Q HA 0.217 4.557 4.340 -0.000 0.000 0.251 347 Q C -1.446 174.462 176.000 -0.153 0.000 1.033 347 Q CA -0.382 55.342 55.803 -0.133 0.000 0.746 347 Q CB 0.473 29.204 28.738 -0.012 0.000 1.189 347 Q HN 0.355 nan 8.270 nan 0.000 0.508 348 F N 2.149 122.087 119.950 -0.020 0.000 2.456 348 F HA 0.315 4.841 4.527 -0.001 0.000 0.358 348 F C 0.326 176.134 175.800 0.012 0.000 1.095 348 F CA 0.273 58.269 58.000 -0.006 0.000 1.216 348 F CB 1.130 40.104 39.000 -0.044 0.000 1.125 348 F HN 0.447 nan 8.300 nan 0.000 0.549 349 Q N 2.918 122.857 119.800 0.231 0.000 2.269 349 Q HA 0.262 4.601 4.340 -0.000 0.000 0.263 349 Q C -0.624 175.455 176.000 0.132 0.000 0.983 349 Q CA -0.817 55.072 55.803 0.145 0.000 0.777 349 Q CB 1.517 30.320 28.738 0.107 0.000 1.273 349 Q HN 0.601 nan 8.270 nan 0.000 0.440 350 N N 1.479 120.236 118.700 0.096 0.000 2.740 350 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 350 N C 0.489 176.046 175.510 0.079 0.000 1.062 350 N CA 1.483 54.574 53.050 0.067 0.000 0.704 350 N CB -1.073 37.448 38.487 0.057 0.000 0.968 350 N HN 1.141 nan 8.380 nan 0.000 0.547 351 G N -1.433 107.424 108.800 0.095 0.000 2.162 351 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 351 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 351 G C -0.095 174.951 174.900 0.243 0.000 0.976 351 G CA 0.579 45.728 45.100 0.082 0.000 0.655 351 G HN 0.614 nan 8.290 nan 0.000 0.533 352 N N 0.077 118.973 118.700 0.327 0.000 2.258 352 N HA 0.487 5.227 4.740 -0.000 0.000 0.299 352 N C -1.477 174.162 175.510 0.214 0.000 1.047 352 N CA -0.716 52.518 53.050 0.306 0.000 0.814 352 N CB 1.690 40.271 38.487 0.155 0.000 1.413 352 N HN 0.140 nan 8.380 nan 0.000 0.478 353 D N 1.309 121.696 120.400 -0.021 0.000 2.338 353 D HA 0.032 4.672 4.640 -0.000 0.000 0.255 353 D C 1.143 177.442 176.300 -0.002 0.000 1.237 353 D CA -0.515 53.282 54.000 -0.337 0.000 0.883 353 D CB 0.825 41.318 40.800 -0.512 0.000 1.087 353 D HN 0.384 nan 8.370 nan 0.000 0.485 354 V N 1.810 121.753 119.914 0.048 0.000 3.141 354 V HA 0.038 4.157 4.120 -0.000 0.000 0.265 354 V C 0.802 177.081 176.094 0.310 0.000 1.126 354 V CA 0.759 63.174 62.300 0.192 0.000 1.141 354 V CB -0.467 31.464 31.823 0.180 0.000 0.743 354 V HN 0.373 nan 8.190 nan 0.000 0.492 355 N N 1.833 120.626 118.700 0.155 0.000 2.321 355 N HA 0.079 4.819 4.740 -0.000 0.000 0.242 355 N C 0.790 176.218 175.510 -0.138 0.000 1.141 355 N CA 0.724 53.747 53.050 -0.045 0.000 0.864 355 N CB 0.235 38.726 38.487 0.007 0.000 1.100 355 N HN 0.799 nan 8.380 nan 0.000 0.510 356 D N -0.589 119.888 120.400 0.127 0.000 2.378 356 D HA -0.135 4.505 4.640 -0.000 0.000 0.227 356 D C 1.550 178.069 176.300 0.365 0.000 1.012 356 D CA 0.232 54.341 54.000 0.181 0.000 0.905 356 D CB -0.427 40.605 40.800 0.385 0.000 0.895 356 D HN 0.488 nan 8.370 nan 0.000 0.532 357 W N 0.650 122.191 121.300 0.403 0.000 2.812 357 W HA 0.282 4.942 4.660 -0.000 0.000 0.263 357 W C -0.223 176.426 176.519 0.217 0.000 1.284 357 W CA -0.591 56.989 57.345 0.391 0.000 1.430 357 W CB -0.719 28.949 29.460 0.347 0.000 1.088 357 W HN -0.303 nan 8.180 nan 0.000 0.623 358 V N 3.584 123.060 119.914 -0.729 0.000 2.678 358 V HA 0.074 4.194 4.120 -0.000 0.000 0.304 358 V C 1.455 177.559 176.094 0.017 0.000 1.086 358 V CA 1.100 63.029 62.300 -0.617 0.000 1.246 358 V CB -0.595 30.901 31.823 -0.545 0.000 0.861 358 V HN 0.184 nan 8.190 nan 0.000 0.491 359 G N 6.830 115.634 108.800 0.006 0.000 2.563 359 G HA2 0.472 4.432 3.960 -0.000 0.000 0.283 359 G HA3 0.472 4.432 3.960 -0.000 0.000 0.283 359 G C -2.276 172.352 174.900 -0.453 0.000 1.309 359 G CA -1.027 44.049 45.100 -0.040 0.000 1.022 359 G HN 0.650 nan 8.290 nan 0.000 0.501 360 P HA 0.162 nan 4.420 nan 0.000 0.270 360 P C -2.657 174.137 177.300 -0.844 0.000 1.223 360 P CA -0.944 61.328 63.100 -1.380 0.000 0.785 360 P CB -0.131 31.098 31.700 -0.786 0.000 0.923 361 P HA 0.027 nan 4.420 nan 0.000 0.262 361 P C -0.314 176.793 177.300 -0.321 0.000 1.182 361 P CA 0.816 63.562 63.100 -0.590 0.000 0.761 361 P CB -0.217 30.987 31.700 -0.827 0.000 0.795 362 N N 0.888 119.486 118.700 -0.169 0.000 2.825 362 N HA 0.368 5.108 4.740 -0.000 0.000 0.253 362 N C -1.559 173.947 175.510 -0.006 0.000 1.426 362 N CA -1.064 51.947 53.050 -0.064 0.000 0.851 362 N CB 1.226 39.699 38.487 -0.024 0.000 1.470 362 N HN 0.096 nan 8.380 nan 0.000 0.517 363 N N 0.359 119.073 118.700 0.022 0.000 2.573 363 N HA 0.358 5.098 4.740 -0.000 0.000 0.262 363 N C -1.146 174.407 175.510 0.073 0.000 1.029 363 N CA -0.762 52.306 53.050 0.030 0.000 0.882 363 N CB 0.672 39.168 38.487 0.014 0.000 1.204 363 N HN 0.550 nan 8.380 nan 0.000 0.519 364 N N 1.876 120.638 118.700 0.103 0.000 2.735 364 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 364 N C 0.920 176.632 175.510 0.337 0.000 1.083 364 N CA 1.364 54.518 53.050 0.173 0.000 0.703 364 N CB -1.008 37.538 38.487 0.098 0.000 1.005 364 N HN 1.036 nan 8.380 nan 0.000 0.550 365 G N -2.421 106.609 108.800 0.383 0.000 2.234 365 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.235 365 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.235 365 G C 0.021 174.931 174.900 0.017 0.000 0.997 365 G CA 0.188 45.386 45.100 0.163 0.000 0.623 365 G HN 0.441 nan 8.290 nan 0.000 0.514 366 V N 3.218 123.157 119.914 0.042 0.000 2.408 366 V HA 0.400 4.519 4.120 -0.000 0.000 0.267 366 V C 1.301 177.381 176.094 -0.023 0.000 1.047 366 V CA -0.540 61.757 62.300 -0.004 0.000 0.937 366 V CB 1.079 32.908 31.823 0.010 0.000 0.999 366 V HN 0.358 nan 8.190 nan 0.000 0.472 367 I N 5.241 125.779 120.570 -0.053 0.000 2.752 367 I HA 0.010 4.180 4.170 -0.000 0.000 0.289 367 I C 0.934 177.056 176.117 0.009 0.000 1.197 367 I CA 0.331 61.607 61.300 -0.039 0.000 1.432 367 I CB 0.138 38.114 38.000 -0.041 0.000 1.359 367 I HN 0.584 nan 8.210 nan 0.000 0.571 368 K N 6.007 126.436 120.400 0.048 0.000 2.202 368 K HA 0.095 4.415 4.320 -0.000 0.000 0.264 368 K C 0.377 177.069 176.600 0.152 0.000 1.010 368 K CA -0.536 55.801 56.287 0.083 0.000 0.940 368 K CB 0.604 33.140 32.500 0.060 0.000 0.983 368 K HN 0.537 nan 8.250 nan 0.000 0.475 369 E N 1.781 122.001 120.200 0.033 0.000 2.374 369 E HA 0.044 4.394 4.350 -0.000 0.000 0.260 369 E C -0.760 175.740 176.600 -0.168 0.000 1.101 369 E CA -0.451 55.882 56.400 -0.112 0.000 0.907 369 E CB 0.915 30.551 29.700 -0.106 0.000 1.014 369 E HN 0.130 nan 8.360 nan 0.000 0.427 370 V N 3.115 122.687 119.914 -0.571 0.000 2.427 370 V HA 0.122 4.242 4.120 -0.000 0.000 0.268 370 V C 0.491 176.405 176.094 -0.300 0.000 1.046 370 V CA 0.016 61.870 62.300 -0.743 0.000 0.970 370 V CB 0.355 31.347 31.823 -1.385 0.000 1.001 370 V HN 0.774 nan 8.190 nan 0.000 0.476 371 T N 4.201 118.687 114.554 -0.113 0.000 2.875 371 T HA 0.660 5.010 4.350 -0.000 0.000 0.284 371 T C -0.487 174.188 174.700 -0.042 0.000 0.995 371 T CA -0.770 61.297 62.100 -0.054 0.000 1.060 371 T CB 1.485 70.350 68.868 -0.005 0.000 0.967 371 T HN 0.226 nan 8.240 nan 0.000 0.476 372 I N 3.463 124.014 120.570 -0.033 0.000 2.339 372 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 372 I C 0.272 176.387 176.117 -0.002 0.000 0.994 372 I CA -0.951 60.337 61.300 -0.020 0.000 1.191 372 I CB 0.921 38.910 38.000 -0.018 0.000 1.343 372 I HN 0.691 nan 8.210 nan 0.000 0.458 373 N N 8.736 127.438 118.700 0.004 0.000 2.424 373 N HA 0.240 4.980 4.740 -0.000 0.000 0.257 373 N C -1.407 174.110 175.510 0.013 0.000 1.250 373 N CA -1.234 51.821 53.050 0.009 0.000 0.946 373 N CB 0.565 39.059 38.487 0.012 0.000 1.175 373 N HN 0.359 nan 8.380 nan 0.000 0.477 374 P HA -0.147 nan 4.420 nan 0.000 0.219 374 P C 0.248 177.562 177.300 0.022 0.000 1.146 374 P CA 1.344 64.455 63.100 0.018 0.000 0.808 374 P CB 0.191 31.900 31.700 0.014 0.000 0.779 375 D N -1.125 119.286 120.400 0.019 0.000 2.325 375 D HA -0.032 4.608 4.640 -0.000 0.000 0.225 375 D C 0.720 177.040 176.300 0.033 0.000 1.096 375 D CA 1.023 55.037 54.000 0.023 0.000 0.844 375 D CB -0.856 39.951 40.800 0.012 0.000 0.925 375 D HN 0.265 nan 8.370 nan 0.000 0.513 376 T N -3.377 111.195 114.554 0.030 0.000 6.412 376 T HA -0.259 4.091 4.350 -0.000 0.000 0.279 376 T C 0.533 175.225 174.700 -0.013 0.000 2.177 376 T CA 1.552 63.665 62.100 0.022 0.000 3.599 376 T CB -2.974 65.936 68.868 0.070 0.000 1.259 376 T HN 0.532 nan 8.240 nan 0.000 1.146 377 T N -0.884 113.675 114.554 0.010 0.000 2.816 377 T HA 0.667 5.017 4.350 -0.000 0.000 0.282 377 T C 0.860 175.572 174.700 0.019 0.000 0.993 377 T CA -0.297 61.819 62.100 0.027 0.000 0.994 377 T CB 1.327 70.219 68.868 0.038 0.000 1.025 377 T HN 0.608 nan 8.240 nan 0.000 0.529 378 c N 0.577 119.209 118.600 0.053 0.000 2.358 378 c HA 0.896 5.466 4.570 -0.000 0.000 0.354 378 c C 1.332 175.471 174.090 0.083 0.000 1.183 378 c CA -0.336 56.030 56.329 0.062 0.000 2.150 378 c CB 0.733 43.307 42.510 0.107 0.000 2.361 378 c HN 1.197 nan 8.230 nan 0.000 0.535 379 G N 0.167 109.018 108.800 0.086 0.000 3.075 379 G HA2 0.480 4.440 3.960 -0.000 0.000 0.253 379 G HA3 0.480 4.440 3.960 -0.000 0.000 0.253 379 G C -0.104 174.871 174.900 0.125 0.000 1.353 379 G CA -0.219 44.926 45.100 0.076 0.000 1.051 379 G HN 0.742 nan 8.290 nan 0.000 0.553 380 N N 0.138 118.869 118.700 0.050 0.000 2.708 380 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 380 N C -0.002 175.384 175.510 -0.205 0.000 1.123 380 N CA 1.382 54.425 53.050 -0.013 0.000 0.739 380 N CB -0.555 37.992 38.487 0.100 0.000 1.113 380 N HN 0.688 nan 8.380 nan 0.000 0.561 381 D N -3.868 116.451 120.400 -0.135 0.000 3.070 381 D HA -0.216 4.424 4.640 -0.000 0.000 0.210 381 D C -0.406 175.748 176.300 -0.242 0.000 1.103 381 D CA 1.045 54.931 54.000 -0.190 0.000 0.980 381 D CB -1.484 39.180 40.800 -0.227 0.000 1.100 381 D HN 0.521 nan 8.370 nan 0.000 0.423 382 W N 0.357 121.633 121.300 -0.040 0.000 2.316 382 W HA 0.373 5.033 4.660 0.000 0.000 0.311 382 W C 1.718 178.221 176.519 -0.027 0.000 1.217 382 W CA -0.878 56.456 57.345 -0.018 0.000 1.199 382 W CB 0.775 30.172 29.460 -0.105 0.000 1.202 382 W HN -0.276 nan 8.180 nan 0.000 0.528 383 V N 2.250 122.231 119.914 0.111 0.000 2.488 383 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 383 V C 1.181 177.345 176.094 0.118 0.000 1.046 383 V CA 0.412 62.689 62.300 -0.039 0.000 1.053 383 V CB -0.870 30.621 31.823 -0.553 0.000 0.679 383 V HN 0.871 nan 8.190 nan 0.000 0.458 384 c N 1.390 120.090 118.600 0.166 0.000 3.727 384 c HA -0.161 4.409 4.570 -0.000 0.000 0.293 384 c C 1.689 175.645 174.090 -0.223 0.000 1.339 384 c CA 0.524 56.914 56.329 0.102 0.000 2.150 384 c CB -2.528 40.008 42.510 0.043 0.000 1.383 384 c HN 0.678 nan 8.230 nan 0.000 0.614 385 E N 0.473 120.423 120.200 -0.416 0.000 2.160 385 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 385 E C 1.958 178.280 176.600 -0.463 0.000 0.991 385 E CA 1.687 57.454 56.400 -1.054 0.000 0.810 385 E CB -0.168 29.100 29.700 -0.721 0.000 0.742 385 E HN 0.974 nan 8.360 nan 0.000 0.466 386 H N -0.191 118.772 119.070 -0.177 0.000 2.545 386 H HA 0.088 4.643 4.556 -0.000 0.000 0.282 386 H C 1.337 176.769 175.328 0.175 0.000 1.020 386 H CA 0.905 56.983 56.048 0.051 0.000 1.243 386 H CB -0.012 29.713 29.762 -0.063 0.000 1.377 386 H HN 0.089 nan 8.280 nan 0.000 0.581 387 R N -0.701 119.576 120.500 -0.372 0.000 2.308 387 R HA 0.058 4.398 4.340 -0.000 0.000 0.202 387 R C -0.167 176.278 176.300 0.243 0.000 0.898 387 R CA -0.435 55.556 56.100 -0.182 0.000 1.046 387 R CB 0.277 30.286 30.300 -0.486 0.000 1.026 387 R HN 0.096 nan 8.270 nan 0.000 0.512 388 W N 2.097 123.423 121.300 0.042 0.000 2.322 388 W HA 0.070 4.730 4.660 -0.000 0.000 0.328 388 W C 1.575 178.169 176.519 0.124 0.000 1.395 388 W CA -0.755 56.642 57.345 0.086 0.000 1.267 388 W CB -0.033 29.498 29.460 0.120 0.000 1.259 388 W HN 0.101 nan 8.180 nan 0.000 0.560 389 R N 1.851 122.528 120.500 0.295 0.000 2.113 389 R HA -0.316 4.024 4.340 -0.000 0.000 0.244 389 R C 1.721 178.144 176.300 0.205 0.000 1.142 389 R CA 2.536 58.763 56.100 0.211 0.000 0.953 389 R CB -0.001 30.371 30.300 0.121 0.000 0.860 389 R HN 0.489 nan 8.270 nan 0.000 0.438 390 Q N 0.072 120.000 119.800 0.214 0.000 2.124 390 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 390 Q C 2.015 178.159 176.000 0.239 0.000 0.977 390 Q CA 1.765 57.682 55.803 0.190 0.000 0.850 390 Q CB -0.066 28.808 28.738 0.227 0.000 0.901 390 Q HN 0.484 nan 8.270 nan 0.000 0.429 391 I N -0.307 120.441 120.570 0.296 0.000 2.339 391 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 391 I C 2.506 178.751 176.117 0.213 0.000 1.096 391 I CA 0.519 61.957 61.300 0.231 0.000 1.408 391 I CB -0.266 37.859 38.000 0.208 0.000 1.092 391 I HN 0.159 nan 8.210 nan 0.000 0.423 392 R N 1.604 122.277 120.500 0.289 0.000 2.091 392 R HA -0.197 4.143 4.340 -0.000 0.000 0.238 392 R C 1.733 178.123 176.300 0.151 0.000 1.136 392 R CA 1.842 58.125 56.100 0.306 0.000 0.959 392 R CB -0.448 30.106 30.300 0.423 0.000 0.856 392 R HN 0.331 nan 8.270 nan 0.000 0.437 393 N N 0.067 118.863 118.700 0.160 0.000 2.381 393 N HA -0.090 4.650 4.740 -0.000 0.000 0.182 393 N C 1.510 177.111 175.510 0.151 0.000 1.025 393 N CA 0.946 54.083 53.050 0.146 0.000 0.888 393 N CB -0.062 38.511 38.487 0.144 0.000 0.965 393 N HN 0.230 nan 8.380 nan 0.000 0.438 394 M N -0.278 119.390 119.600 0.114 0.000 2.447 394 M HA 0.074 4.553 4.480 -0.000 0.000 0.264 394 M C 1.823 178.155 176.300 0.054 0.000 1.095 394 M CA 0.318 55.672 55.300 0.089 0.000 1.125 394 M CB -0.483 32.140 32.600 0.039 0.000 1.389 394 M HN -0.126 nan 8.290 nan 0.000 0.459 395 V N 0.591 120.478 119.914 -0.044 0.000 2.358 395 V HA -0.238 3.881 4.120 -0.000 0.000 0.246 395 V C 2.305 178.284 176.094 -0.191 0.000 1.047 395 V CA 1.496 63.666 62.300 -0.216 0.000 1.035 395 V CB -0.433 31.055 31.823 -0.557 0.000 0.658 395 V HN 0.340 nan 8.190 nan 0.000 0.452 396 I N -0.966 119.525 120.570 -0.132 0.000 2.315 396 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 396 I C 2.301 178.320 176.117 -0.164 0.000 1.117 396 I CA 1.555 62.773 61.300 -0.136 0.000 1.404 396 I CB -0.416 37.543 38.000 -0.069 0.000 1.071 396 I HN 0.322 nan 8.210 nan 0.000 0.419 397 F N 1.999 121.812 119.950 -0.228 0.000 2.091 397 F HA -0.274 4.253 4.527 -0.000 0.000 0.299 397 F C 2.714 178.402 175.800 -0.188 0.000 1.103 397 F CA 1.806 59.652 58.000 -0.256 0.000 1.228 397 F CB -0.347 38.634 39.000 -0.032 0.000 0.984 397 F HN -0.152 nan 8.300 nan 0.000 0.477 398 R N 0.257 120.870 120.500 0.187 0.000 2.081 398 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 398 R C 2.076 178.337 176.300 -0.066 0.000 1.131 398 R CA 1.769 57.923 56.100 0.090 0.000 0.960 398 R CB -0.362 29.955 30.300 0.028 0.000 0.856 398 R HN 0.304 nan 8.270 nan 0.000 0.436 399 N N 0.042 118.669 118.700 -0.121 0.000 2.084 399 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 399 N C 1.799 177.214 175.510 -0.158 0.000 1.030 399 N CA 1.474 54.445 53.050 -0.131 0.000 0.849 399 N CB -0.454 37.949 38.487 -0.140 0.000 1.012 399 N HN 0.052 nan 8.380 nan 0.000 0.423 400 V N 1.157 120.918 119.914 -0.255 0.000 2.407 400 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 400 V C 2.133 178.080 176.094 -0.246 0.000 1.055 400 V CA 1.589 63.717 62.300 -0.287 0.000 1.049 400 V CB -0.589 30.933 31.823 -0.502 0.000 0.662 400 V HN 0.319 nan 8.190 nan 0.000 0.455 401 V N -2.009 117.732 119.914 -0.288 0.000 3.647 401 V HA 0.244 4.364 4.120 -0.000 0.000 0.279 401 V C 0.637 176.685 176.094 -0.077 0.000 1.314 401 V CA -0.184 61.998 62.300 -0.196 0.000 1.125 401 V CB -0.463 31.203 31.823 -0.263 0.000 0.907 401 V HN 0.463 nan 8.190 nan 0.000 0.434 402 D N 1.628 121.987 120.400 -0.069 0.000 2.581 402 D HA 0.359 4.999 4.640 -0.000 0.000 0.238 402 D C 1.480 177.771 176.300 -0.014 0.000 1.145 402 D CA 2.165 56.148 54.000 -0.028 0.000 0.866 402 D CB 0.294 41.074 40.800 -0.033 0.000 1.151 402 D HN 0.618 nan 8.370 nan 0.000 0.500 403 G N 3.184 111.988 108.800 0.005 0.000 2.258 403 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.233 403 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.233 403 G C 0.210 175.123 174.900 0.023 0.000 1.006 403 G CA 0.002 45.108 45.100 0.010 0.000 0.620 403 G HN 0.593 nan 8.290 nan 0.000 0.511 404 Q N 1.968 121.784 119.800 0.025 0.000 2.352 404 Q HA 0.370 4.710 4.340 -0.000 0.000 0.260 404 Q C -1.951 174.095 176.000 0.077 0.000 0.976 404 Q CA -1.132 54.697 55.803 0.044 0.000 0.881 404 Q CB 1.156 29.915 28.738 0.035 0.000 1.235 404 Q HN 0.450 nan 8.270 nan 0.000 0.419 405 P HA 0.087 nan 4.420 nan 0.000 0.274 405 P C -0.657 176.751 177.300 0.180 0.000 1.237 405 P CA -0.416 62.756 63.100 0.121 0.000 0.793 405 P CB 0.479 32.239 31.700 0.101 0.000 0.977 406 F N 2.719 122.685 119.950 0.028 0.000 2.472 406 F HA 0.341 4.868 4.527 -0.000 0.000 0.364 406 F C 0.173 176.042 175.800 0.115 0.000 1.090 406 F CA 0.889 58.908 58.000 0.031 0.000 1.188 406 F CB 0.088 39.011 39.000 -0.129 0.000 1.105 406 F HN 0.436 nan 8.300 nan 0.000 0.536 407 T N 1.724 116.129 114.554 -0.248 0.000 2.671 407 T HA 0.289 4.638 4.350 -0.000 0.000 0.300 407 T C -0.393 174.285 174.700 -0.036 0.000 1.238 407 T CA -1.181 60.849 62.100 -0.117 0.000 1.020 407 T CB 1.203 70.099 68.868 0.047 0.000 1.503 407 T HN 0.498 nan 8.240 nan 0.000 0.497 408 N N 0.540 119.301 118.700 0.101 0.000 2.716 408 N HA -0.131 4.609 4.740 -0.000 0.000 0.250 408 N C -0.452 175.227 175.510 0.283 0.000 1.033 408 N CA 0.672 53.852 53.050 0.216 0.000 0.727 408 N CB -0.775 37.882 38.487 0.283 0.000 0.950 408 N HN 0.727 nan 8.380 nan 0.000 0.541 409 W N 1.048 122.370 121.300 0.037 0.000 2.216 409 W HA 0.308 4.967 4.660 -0.000 0.000 0.326 409 W C -0.469 176.190 176.519 0.234 0.000 1.319 409 W CA -0.069 57.336 57.345 0.099 0.000 1.213 409 W CB 0.278 29.769 29.460 0.052 0.000 1.171 409 W HN 0.213 nan 8.180 nan 0.000 0.557 410 Y N 5.253 125.146 120.300 -0.677 0.000 2.504 410 Y HA 0.401 4.951 4.550 -0.000 0.000 0.344 410 Y C -1.574 173.900 175.900 -0.711 0.000 1.023 410 Y CA -0.947 56.898 58.100 -0.426 0.000 1.020 410 Y CB 1.422 39.807 38.460 -0.125 0.000 1.282 410 Y HN 0.526 nan 8.280 nan 0.000 0.454 411 D N 1.941 121.447 120.400 -1.490 0.000 2.655 411 D HA 0.199 4.839 4.640 -0.000 0.000 0.229 411 D C -1.184 174.572 176.300 -0.905 0.000 1.229 411 D CA -0.804 52.602 54.000 -0.990 0.000 0.807 411 D CB 1.000 41.678 40.800 -0.203 0.000 1.514 411 D HN 0.441 nan 8.370 nan 0.000 0.444 412 N N 1.135 119.598 118.700 -0.396 0.000 2.295 412 N HA 0.197 4.937 4.740 -0.000 0.000 0.221 412 N C 1.326 176.867 175.510 0.052 0.000 1.129 412 N CA 0.201 53.236 53.050 -0.025 0.000 0.836 412 N CB 0.270 38.909 38.487 0.254 0.000 1.040 412 N HN 1.042 nan 8.380 nan 0.000 0.494 413 G N -1.377 107.425 108.800 0.003 0.000 2.189 413 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.267 413 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.267 413 G C 0.380 175.299 174.900 0.032 0.000 0.975 413 G CA 0.770 45.902 45.100 0.054 0.000 0.644 413 G HN 0.639 nan 8.290 nan 0.000 0.537 414 S N -0.892 114.817 115.700 0.016 0.000 3.894 414 S HA 0.437 4.907 4.470 -0.000 0.000 0.189 414 S C 0.903 175.422 174.600 -0.133 0.000 1.096 414 S CA 0.673 58.863 58.200 -0.017 0.000 1.481 414 S CB 0.176 63.463 63.200 0.145 0.000 1.321 414 S HN 0.301 nan 8.310 nan 0.000 0.828 415 N N 0.662 119.256 118.700 -0.176 0.000 2.291 415 N HA 0.342 5.082 4.740 -0.000 0.000 0.244 415 N C -1.304 174.055 175.510 -0.252 0.000 1.216 415 N CA -0.064 52.841 53.050 -0.242 0.000 0.879 415 N CB 1.076 39.399 38.487 -0.273 0.000 1.167 415 N HN 0.277 nan 8.380 nan 0.000 0.515 416 Q N 1.471 121.148 119.800 -0.205 0.000 2.381 416 Q HA 0.463 4.802 4.340 -0.000 0.000 0.263 416 Q C -0.855 174.995 176.000 -0.250 0.000 1.030 416 Q CA -0.737 54.930 55.803 -0.227 0.000 0.772 416 Q CB 2.149 30.836 28.738 -0.085 0.000 1.232 416 Q HN 0.110 nan 8.270 nan 0.000 0.476 417 V N -1.225 118.510 119.914 -0.299 0.000 3.102 417 V HA 1.059 5.179 4.120 -0.000 0.000 0.312 417 V C -1.106 174.787 176.094 -0.335 0.000 1.135 417 V CA -0.868 61.171 62.300 -0.434 0.000 1.022 417 V CB 1.957 33.459 31.823 -0.536 0.000 1.056 417 V HN 0.732 nan 8.190 nan 0.000 0.436 418 A N 1.933 124.468 122.820 -0.476 0.000 2.604 418 A HA 1.022 5.341 4.320 -0.000 0.000 0.295 418 A C -1.213 176.143 177.584 -0.381 0.000 1.067 418 A CA -0.228 51.527 52.037 -0.471 0.000 0.683 418 A CB 1.732 20.458 19.000 -0.457 0.000 1.281 418 A HN 2.412 nan 8.150 nan 0.000 0.407 419 F N -1.198 118.356 119.950 -0.661 0.000 2.770 419 F HA 0.831 5.358 4.527 -0.000 0.000 0.313 419 F C -0.064 175.431 175.800 -0.509 0.000 1.154 419 F CA -0.311 57.450 58.000 -0.399 0.000 0.923 419 F CB 0.753 39.680 39.000 -0.122 0.000 1.301 419 F HN 1.127 nan 8.300 nan 0.000 0.449 420 G N 0.515 109.397 108.800 0.137 0.000 2.685 420 G HA2 0.696 4.656 3.960 -0.000 0.000 0.298 420 G HA3 0.696 4.656 3.960 -0.000 0.000 0.298 420 G C -1.574 173.500 174.900 0.290 0.000 1.277 420 G CA -1.312 43.953 45.100 0.274 0.000 0.986 420 G HN 0.592 nan 8.290 nan 0.000 0.487 421 R N 0.274 120.921 120.500 0.246 0.000 2.352 421 R HA 0.492 4.832 4.340 -0.000 0.000 0.304 421 R C 0.863 177.232 176.300 0.115 0.000 1.104 421 R CA 0.065 56.283 56.100 0.198 0.000 0.991 421 R CB 0.404 30.816 30.300 0.186 0.000 1.140 421 R HN 1.265 nan 8.270 nan 0.000 0.540 422 G N 3.623 112.487 108.800 0.107 0.000 2.634 422 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.309 422 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.309 422 G C 0.294 175.235 174.900 0.069 0.000 1.265 422 G CA 0.687 45.831 45.100 0.075 0.000 0.998 422 G HN 0.672 nan 8.290 nan 0.000 0.551 423 N N 0.544 119.271 118.700 0.046 0.000 2.338 423 N HA 0.195 4.935 4.740 -0.000 0.000 0.251 423 N C 1.257 176.788 175.510 0.034 0.000 1.199 423 N CA -0.107 52.966 53.050 0.039 0.000 0.879 423 N CB 0.549 39.057 38.487 0.035 0.000 1.159 423 N HN 0.524 nan 8.380 nan 0.000 0.514 424 R N -0.380 120.131 120.500 0.018 0.000 2.344 424 R HA 0.351 4.691 4.340 -0.000 0.000 0.209 424 R C 0.443 176.708 176.300 -0.059 0.000 0.886 424 R CA 0.416 56.508 56.100 -0.014 0.000 1.040 424 R CB 1.160 31.425 30.300 -0.058 0.000 1.114 424 R HN 0.310 nan 8.270 nan 0.000 0.547 425 G N 0.356 109.135 108.800 -0.034 0.000 2.632 425 G HA2 0.497 4.457 3.960 -0.000 0.000 0.292 425 G HA3 0.497 4.457 3.960 -0.000 0.000 0.292 425 G C -2.076 172.970 174.900 0.243 0.000 1.465 425 G CA -0.447 44.638 45.100 -0.025 0.000 0.824 425 G HN -0.009 nan 8.290 nan 0.000 0.509 426 F N 0.468 120.493 119.950 0.125 0.000 2.608 426 F HA 0.812 5.339 4.527 -0.000 0.000 0.309 426 F C -1.102 174.632 175.800 -0.111 0.000 1.103 426 F CA -1.002 56.987 58.000 -0.018 0.000 0.954 426 F CB 2.089 41.039 39.000 -0.084 0.000 1.267 426 F HN 0.527 nan 8.300 nan 0.000 0.444 427 I N 5.256 125.228 120.570 -0.998 0.000 2.686 427 I HA 0.742 4.912 4.170 -0.000 0.000 0.295 427 I C -1.813 173.612 176.117 -1.154 0.000 1.114 427 I CA -0.763 59.972 61.300 -0.942 0.000 1.038 427 I CB 2.005 39.431 38.000 -0.958 0.000 1.238 427 I HN 0.371 nan 8.210 nan 0.000 0.420 428 V N 6.767 126.106 119.914 -0.959 0.000 2.709 428 V HA 0.540 4.659 4.120 -0.000 0.000 0.308 428 V C -1.061 174.585 176.094 -0.746 0.000 1.062 428 V CA -0.515 61.294 62.300 -0.818 0.000 0.901 428 V CB 1.775 33.109 31.823 -0.816 0.000 1.003 428 V HN 0.472 nan 8.190 nan 0.000 0.425 429 F N 2.415 122.114 119.950 -0.419 0.000 2.532 429 F HA 0.604 5.130 4.527 -0.000 0.000 0.321 429 F C 0.138 175.706 175.800 -0.386 0.000 1.089 429 F CA -0.701 57.122 58.000 -0.295 0.000 0.926 429 F CB 1.978 40.812 39.000 -0.277 0.000 1.168 429 F HN 0.465 nan 8.300 nan 0.000 0.459 430 N N 1.785 120.432 118.700 -0.089 0.000 2.576 430 N HA 0.194 4.934 4.740 -0.000 0.000 0.269 430 N C -0.961 174.463 175.510 -0.142 0.000 1.058 430 N CA -0.259 52.686 53.050 -0.175 0.000 0.860 430 N CB 0.543 38.955 38.487 -0.124 0.000 1.249 430 N HN 0.568 nan 8.380 nan 0.000 0.525 431 N N 1.971 120.546 118.700 -0.207 0.000 2.282 431 N HA 0.181 4.921 4.740 -0.000 0.000 0.240 431 N C -1.059 174.281 175.510 -0.283 0.000 1.182 431 N CA -0.179 52.748 53.050 -0.206 0.000 0.874 431 N CB 0.341 38.700 38.487 -0.213 0.000 1.126 431 N HN 0.493 nan 8.380 nan 0.000 0.516 432 D N -0.647 119.489 120.400 -0.440 0.000 2.387 432 D HA 0.163 4.803 4.640 -0.000 0.000 0.255 432 D C -0.087 175.897 176.300 -0.527 0.000 1.081 432 D CA -0.195 53.374 54.000 -0.718 0.000 0.994 432 D CB 0.977 40.824 40.800 -1.587 0.000 1.127 432 D HN 0.078 nan 8.370 nan 0.000 0.513 433 D N 0.549 120.730 120.400 -0.365 0.000 2.352 433 D HA 0.111 4.751 4.640 -0.000 0.000 0.236 433 D C -0.039 176.393 176.300 0.220 0.000 1.148 433 D CA 0.049 54.055 54.000 0.010 0.000 0.844 433 D CB 0.061 40.955 40.800 0.155 0.000 0.933 433 D HN 0.319 nan 8.370 nan 0.000 0.507 434 W N -1.059 120.276 121.300 0.059 0.000 3.047 434 W HA 0.539 5.199 4.660 -0.000 0.000 0.341 434 W C -0.457 176.119 176.519 0.095 0.000 1.225 434 W CA -1.013 56.373 57.345 0.068 0.000 1.150 434 W CB 0.088 29.586 29.460 0.064 0.000 1.470 434 W HN -0.434 nan 8.180 nan 0.000 0.578 435 S N 1.127 117.028 115.700 0.336 0.000 2.593 435 S HA 0.437 4.907 4.470 -0.000 0.000 0.269 435 S C -1.254 173.537 174.600 0.319 0.000 1.334 435 S CA -0.331 58.013 58.200 0.240 0.000 1.015 435 S CB 0.426 63.741 63.200 0.192 0.000 0.912 435 S HN 0.396 nan 8.310 nan 0.000 0.541 436 F N 1.835 121.840 119.950 0.093 0.000 2.449 436 F HA 0.568 5.095 4.527 -0.000 0.000 0.342 436 F C -0.110 175.732 175.800 0.071 0.000 1.127 436 F CA -0.335 57.719 58.000 0.089 0.000 0.975 436 F CB 1.374 40.390 39.000 0.026 0.000 1.146 436 F HN 0.422 nan 8.300 nan 0.000 0.444 437 S N 7.723 123.078 115.700 -0.574 0.000 2.571 437 S HA 0.700 5.170 4.470 -0.000 0.000 0.238 437 S C -2.047 172.209 174.600 -0.574 0.000 1.153 437 S CA -0.435 57.508 58.200 -0.429 0.000 1.141 437 S CB 0.353 63.540 63.200 -0.021 0.000 1.133 437 S HN 0.782 nan 8.310 nan 0.000 0.464 438 L N 3.351 124.022 121.223 -0.920 0.000 2.540 438 L HA 0.694 5.034 4.340 -0.000 0.000 0.256 438 L C -0.699 175.965 176.870 -0.345 0.000 1.001 438 L CA -0.017 54.499 54.840 -0.541 0.000 0.843 438 L CB 2.255 43.903 42.059 -0.684 0.000 1.436 438 L HN 0.478 nan 8.230 nan 0.000 0.410 439 T N 3.739 118.274 114.554 -0.032 0.000 2.744 439 T HA 0.706 5.055 4.350 -0.000 0.000 0.291 439 T C -0.758 173.955 174.700 0.020 0.000 0.957 439 T CA -0.125 62.017 62.100 0.070 0.000 1.002 439 T CB 0.496 69.433 68.868 0.115 0.000 0.919 439 T HN 0.261 nan 8.240 nan 0.000 0.468 440 L N 2.827 124.110 121.223 0.099 0.000 2.323 440 L HA 0.560 4.899 4.340 -0.000 0.000 0.265 440 L C -0.021 176.832 176.870 -0.028 0.000 1.012 440 L CA -1.007 53.861 54.840 0.046 0.000 0.820 440 L CB 1.725 43.853 42.059 0.115 0.000 1.334 440 L HN 0.448 nan 8.230 nan 0.000 0.427 441 Q N -0.030 119.729 119.800 -0.068 0.000 2.295 441 Q HA 0.300 4.639 4.340 -0.000 0.000 0.259 441 Q C 0.619 176.390 176.000 -0.381 0.000 0.976 441 Q CA 0.563 56.287 55.803 -0.131 0.000 0.923 441 Q CB 1.158 29.876 28.738 -0.032 0.000 1.185 441 Q HN 0.767 nan 8.270 nan 0.000 0.410 442 T N 0.288 114.515 114.554 -0.545 0.000 3.023 442 T HA 0.276 4.626 4.350 -0.000 0.000 0.249 442 T C 1.270 175.733 174.700 -0.395 0.000 1.050 442 T CA 0.460 61.945 62.100 -1.026 0.000 1.088 442 T CB -0.088 68.252 68.868 -0.881 0.000 0.946 442 T HN 1.055 nan 8.240 nan 0.000 0.480 443 G N 1.122 109.804 108.800 -0.196 0.000 2.162 443 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.260 443 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.260 443 G C -0.249 174.621 174.900 -0.050 0.000 0.976 443 G CA 0.263 45.323 45.100 -0.066 0.000 0.655 443 G HN 0.579 nan 8.290 nan 0.000 0.533 444 L N 1.860 123.020 121.223 -0.105 0.000 2.360 444 L HA 0.611 4.951 4.340 -0.000 0.000 0.271 444 L C -1.324 175.555 176.870 0.014 0.000 1.057 444 L CA -2.350 52.450 54.840 -0.065 0.000 0.803 444 L CB 0.740 42.654 42.059 -0.242 0.000 1.207 444 L HN -0.046 nan 8.230 nan 0.000 0.445 445 P HA 0.147 nan 4.420 nan 0.000 0.271 445 P C -0.849 176.557 177.300 0.177 0.000 1.218 445 P CA -0.516 62.654 63.100 0.117 0.000 0.780 445 P CB 0.604 32.370 31.700 0.110 0.000 0.901 446 A N 1.848 124.733 122.820 0.108 0.000 2.586 446 A HA 0.445 4.765 4.320 -0.000 0.000 0.231 446 A C 0.899 178.559 177.584 0.127 0.000 1.055 446 A CA 1.219 53.323 52.037 0.111 0.000 0.756 446 A CB -1.115 17.919 19.000 0.057 0.000 0.988 446 A HN 0.949 nan 8.150 nan 0.000 0.509 447 G N -0.394 108.492 108.800 0.142 0.000 2.369 447 G HA2 0.436 4.395 3.960 -0.000 0.000 0.293 447 G HA3 0.436 4.395 3.960 -0.000 0.000 0.293 447 G C -0.727 174.218 174.900 0.074 0.000 1.301 447 G CA -0.206 44.914 45.100 0.034 0.000 0.913 447 G HN 1.082 nan 8.290 nan 0.000 0.540 448 T N 1.125 115.627 114.554 -0.087 0.000 2.758 448 T HA 0.630 4.979 4.350 -0.000 0.000 0.285 448 T C -1.147 173.396 174.700 -0.263 0.000 0.981 448 T CA 0.072 62.113 62.100 -0.098 0.000 0.965 448 T CB 0.624 69.475 68.868 -0.029 0.000 0.927 448 T HN 0.392 nan 8.240 nan 0.000 0.448 449 Y N 0.737 120.909 120.300 -0.213 0.000 2.409 449 Y HA 0.430 4.979 4.550 -0.000 0.000 0.339 449 Y C 0.546 176.327 175.900 -0.198 0.000 1.033 449 Y CA -1.210 56.786 58.100 -0.173 0.000 1.094 449 Y CB 0.921 39.304 38.460 -0.128 0.000 1.210 449 Y HN 0.565 nan 8.280 nan 0.000 0.456 450 c N 2.403 120.985 118.600 -0.030 0.000 2.435 450 c HA 0.169 4.739 4.570 -0.000 0.000 0.375 450 c C 0.351 174.410 174.090 -0.051 0.000 1.281 450 c CA -0.730 55.559 56.329 -0.066 0.000 1.963 450 c CB -0.405 42.061 42.510 -0.074 0.000 2.490 450 c HN 0.777 nan 8.230 nan 0.000 0.557 451 D N 1.595 121.960 120.400 -0.058 0.000 2.371 451 D HA 0.159 4.799 4.640 -0.000 0.000 0.256 451 D C 0.984 177.242 176.300 -0.069 0.000 1.193 451 D CA -0.284 53.681 54.000 -0.059 0.000 0.881 451 D CB 1.007 41.764 40.800 -0.071 0.000 1.143 451 D HN 0.427 nan 8.370 nan 0.000 0.473 452 V N 2.512 122.392 119.914 -0.058 0.000 3.573 452 V HA 0.020 4.140 4.120 -0.000 0.000 0.270 452 V C 1.481 177.539 176.094 -0.060 0.000 1.221 452 V CA 0.294 62.581 62.300 -0.022 0.000 1.163 452 V CB -0.616 31.254 31.823 0.078 0.000 0.847 452 V HN 0.519 nan 8.190 nan 0.000 0.468 453 I N 2.157 122.624 120.570 -0.172 0.000 2.429 453 I HA -0.015 4.155 4.170 -0.000 0.000 0.247 453 I C 2.746 178.749 176.117 -0.189 0.000 1.099 453 I CA 1.883 63.016 61.300 -0.279 0.000 1.422 453 I CB -1.082 36.510 38.000 -0.679 0.000 1.112 453 I HN 0.572 nan 8.210 nan 0.000 0.430 454 S N -0.153 115.447 115.700 -0.167 0.000 2.470 454 S HA 0.237 4.707 4.470 -0.000 0.000 0.225 454 S C 1.114 175.677 174.600 -0.061 0.000 1.006 454 S CA 0.477 58.613 58.200 -0.107 0.000 0.934 454 S CB -0.067 63.075 63.200 -0.096 0.000 0.778 454 S HN 0.427 nan 8.310 nan 0.000 0.517 455 G N -0.241 108.527 108.800 -0.052 0.000 2.871 455 G HA2 0.574 4.534 3.960 -0.000 0.000 0.282 455 G HA3 0.574 4.534 3.960 -0.000 0.000 0.282 455 G C -2.105 172.788 174.900 -0.010 0.000 1.212 455 G CA -0.531 44.553 45.100 -0.026 0.000 0.812 455 G HN 0.194 nan 8.290 nan 0.000 0.547 456 D N -0.672 119.725 120.400 -0.005 0.000 2.579 456 D HA 0.357 4.997 4.640 -0.000 0.000 0.257 456 D C -1.053 175.243 176.300 -0.008 0.000 1.176 456 D CA -0.542 53.462 54.000 0.007 0.000 0.914 456 D CB 2.526 43.341 40.800 0.026 0.000 1.431 456 D HN 0.206 nan 8.370 nan 0.000 0.454 457 K N 1.937 122.334 120.400 -0.005 0.000 2.299 457 K HA 0.417 4.737 4.320 -0.000 0.000 0.268 457 K C -1.064 175.532 176.600 -0.006 0.000 1.075 457 K CA -0.340 55.935 56.287 -0.019 0.000 0.936 457 K CB -0.249 32.232 32.500 -0.031 0.000 1.228 457 K HN 0.428 nan 8.250 nan 0.000 0.454 458 I N 5.124 125.690 120.570 -0.007 0.000 2.418 458 I HA 0.131 4.301 4.170 -0.000 0.000 0.287 458 I C 0.069 176.183 176.117 -0.005 0.000 1.008 458 I CA -0.827 60.473 61.300 -0.000 0.000 1.104 458 I CB 1.369 39.372 38.000 0.006 0.000 1.264 458 I HN 0.694 nan 8.210 nan 0.000 0.438 459 N N 4.555 123.252 118.700 -0.005 0.000 2.629 459 N HA -0.230 4.510 4.740 -0.000 0.000 0.278 459 N C 0.602 176.105 175.510 -0.013 0.000 1.102 459 N CA 0.834 53.880 53.050 -0.007 0.000 0.759 459 N CB -1.408 37.077 38.487 -0.003 0.000 0.911 459 N HN 1.187 nan 8.380 nan 0.000 0.553 460 G N -0.245 108.543 108.800 -0.020 0.000 2.212 460 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.267 460 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.267 460 G C -0.166 174.719 174.900 -0.026 0.000 1.002 460 G CA 0.768 45.853 45.100 -0.026 0.000 0.729 460 G HN 0.893 nan 8.290 nan 0.000 0.517 461 N N -1.559 117.127 118.700 -0.024 0.000 2.494 461 N HA 0.484 5.224 4.740 -0.000 0.000 0.270 461 N C -0.726 174.768 175.510 -0.027 0.000 1.285 461 N CA -0.086 52.950 53.050 -0.023 0.000 0.812 461 N CB 1.599 40.079 38.487 -0.012 0.000 1.557 461 N HN 0.115 nan 8.380 nan 0.000 0.487 462 c N 0.452 119.033 118.600 -0.031 0.000 2.341 462 c HA 0.423 4.993 4.570 -0.000 0.000 0.338 462 c C 1.995 176.071 174.090 -0.023 0.000 1.257 462 c CA -0.514 55.794 56.329 -0.035 0.000 1.883 462 c CB 0.501 42.978 42.510 -0.054 0.000 2.334 462 c HN 0.847 nan 8.230 nan 0.000 0.524 463 T N -0.655 113.887 114.554 -0.019 0.000 3.081 463 T HA 0.305 4.655 4.350 -0.000 0.000 0.250 463 T C 0.819 175.508 174.700 -0.018 0.000 1.100 463 T CA 0.678 62.770 62.100 -0.013 0.000 1.038 463 T CB 0.135 69.000 68.868 -0.006 0.000 0.962 463 T HN 0.864 nan 8.240 nan 0.000 0.516 464 G N 0.783 109.566 108.800 -0.028 0.000 3.264 464 G HA2 0.652 4.611 3.960 -0.000 0.000 0.168 464 G HA3 0.652 4.611 3.960 -0.000 0.000 0.168 464 G C -0.715 174.161 174.900 -0.039 0.000 1.145 464 G CA -1.239 43.841 45.100 -0.033 0.000 0.855 464 G HN 0.398 nan 8.290 nan 0.000 0.629 465 I N 0.955 121.497 120.570 -0.047 0.000 2.813 465 I HA 0.159 4.328 4.170 -0.000 0.000 0.287 465 I C 0.074 176.139 176.117 -0.087 0.000 1.196 465 I CA 0.567 61.836 61.300 -0.052 0.000 1.421 465 I CB 0.743 38.717 38.000 -0.044 0.000 1.365 465 I HN 0.172 nan 8.210 nan 0.000 0.591 466 K N 6.140 126.463 120.400 -0.129 0.000 2.270 466 K HA 0.619 4.939 4.320 -0.000 0.000 0.255 466 K C -1.117 175.230 176.600 -0.421 0.000 0.936 466 K CA -0.767 55.359 56.287 -0.269 0.000 0.809 466 K CB 2.285 34.600 32.500 -0.308 0.000 1.131 466 K HN 0.320 nan 8.250 nan 0.000 0.427 467 I N 2.856 123.150 120.570 -0.461 0.000 2.530 467 I HA 0.301 4.471 4.170 -0.000 0.000 0.297 467 I C -0.865 174.920 176.117 -0.554 0.000 1.011 467 I CA -0.872 60.156 61.300 -0.454 0.000 1.107 467 I CB 1.229 39.057 38.000 -0.286 0.000 1.285 467 I HN 0.541 nan 8.210 nan 0.000 0.436 468 Y N 4.331 124.579 120.300 -0.087 0.000 2.334 468 Y HA 0.460 5.010 4.550 -0.000 0.000 0.336 468 Y C 0.148 176.013 175.900 -0.058 0.000 0.960 468 Y CA -0.885 57.195 58.100 -0.033 0.000 1.164 468 Y CB 1.696 40.128 38.460 -0.047 0.000 1.155 468 Y HN 0.153 nan 8.280 nan 0.000 0.478 469 V N 3.950 123.943 119.914 0.130 0.000 2.394 469 V HA 0.379 4.499 4.120 -0.000 0.000 0.282 469 V C 0.219 176.355 176.094 0.071 0.000 1.031 469 V CA -0.794 61.537 62.300 0.051 0.000 0.881 469 V CB 1.216 33.068 31.823 0.049 0.000 0.982 469 V HN 0.905 nan 8.190 nan 0.000 0.451 470 S N 2.709 118.425 115.700 0.026 0.000 2.661 470 S HA 0.211 4.681 4.470 -0.000 0.000 0.265 470 S C 0.774 175.384 174.600 0.017 0.000 1.225 470 S CA -0.537 57.675 58.200 0.020 0.000 0.986 470 S CB 0.738 63.939 63.200 0.001 0.000 1.008 470 S HN 0.671 nan 8.310 nan 0.000 0.565 471 D N 1.159 121.566 120.400 0.011 0.000 2.221 471 D HA -0.103 4.537 4.640 -0.000 0.000 0.204 471 D C 1.077 177.380 176.300 0.006 0.000 0.982 471 D CA 1.656 55.663 54.000 0.011 0.000 0.857 471 D CB -0.548 40.256 40.800 0.006 0.000 0.934 471 D HN 0.854 nan 8.370 nan 0.000 0.475 472 D N -1.162 119.238 120.400 -0.001 0.000 2.340 472 D HA 0.168 4.808 4.640 -0.000 0.000 0.220 472 D C 1.468 177.759 176.300 -0.015 0.000 1.039 472 D CA 0.627 54.625 54.000 -0.004 0.000 0.866 472 D CB -0.047 40.750 40.800 -0.004 0.000 0.913 472 D HN 0.164 nan 8.370 nan 0.000 0.523 473 G N -0.198 108.589 108.800 -0.021 0.000 2.157 473 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.248 473 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.248 473 G C 0.158 175.004 174.900 -0.090 0.000 0.979 473 G CA 0.077 45.145 45.100 -0.053 0.000 0.650 473 G HN 0.445 nan 8.290 nan 0.000 0.529 474 K N 0.336 120.700 120.400 -0.059 0.000 2.098 474 K HA 0.767 5.087 4.320 -0.000 0.000 0.261 474 K C 0.194 176.751 176.600 -0.071 0.000 0.987 474 K CA 0.236 56.486 56.287 -0.062 0.000 0.916 474 K CB 1.633 34.116 32.500 -0.028 0.000 1.039 474 K HN 0.795 nan 8.250 nan 0.000 0.455 475 A N 1.528 124.297 122.820 -0.086 0.000 2.574 475 A HA 0.308 4.628 4.320 -0.000 0.000 0.297 475 A C -1.924 175.519 177.584 -0.235 0.000 1.062 475 A CA -0.694 51.227 52.037 -0.195 0.000 0.686 475 A CB 0.997 19.772 19.000 -0.375 0.000 1.285 475 A HN 0.838 nan 8.150 nan 0.000 0.403 476 H N 0.365 119.230 119.070 -0.341 0.000 2.527 476 H HA 0.701 5.257 4.556 -0.000 0.000 0.321 476 H C -1.529 173.548 175.328 -0.418 0.000 1.087 476 H CA -0.077 55.828 56.048 -0.239 0.000 1.337 476 H CB 0.434 30.120 29.762 -0.127 0.000 1.440 476 H HN 0.414 nan 8.280 nan 0.000 0.490 477 F N 2.376 122.046 119.950 -0.465 0.000 2.507 477 F HA 0.371 4.898 4.527 -0.000 0.000 0.325 477 F C -0.016 175.628 175.800 -0.260 0.000 1.116 477 F CA -0.700 57.199 58.000 -0.167 0.000 0.930 477 F CB 2.112 41.186 39.000 0.123 0.000 1.146 477 F HN 0.417 nan 8.300 nan 0.000 0.447 478 S N 4.644 120.418 115.700 0.123 0.000 2.756 478 S HA 0.763 5.233 4.470 -0.000 0.000 0.303 478 S C -1.095 173.618 174.600 0.188 0.000 1.135 478 S CA -0.381 57.894 58.200 0.125 0.000 1.066 478 S CB 0.168 63.448 63.200 0.134 0.000 1.008 478 S HN 0.520 nan 8.310 nan 0.000 0.482 479 I N 3.563 124.283 120.570 0.250 0.000 2.468 479 I HA 0.329 4.499 4.170 -0.000 0.000 0.285 479 I C 0.159 176.366 176.117 0.151 0.000 1.039 479 I CA -0.607 60.799 61.300 0.177 0.000 1.074 479 I CB 2.035 40.124 38.000 0.149 0.000 1.228 479 I HN 0.543 nan 8.210 nan 0.000 0.436 480 S N 4.388 120.149 115.700 0.102 0.000 2.584 480 S HA 0.122 4.591 4.470 -0.000 0.000 0.273 480 S C 1.348 175.986 174.600 0.063 0.000 1.311 480 S CA -0.629 57.625 58.200 0.089 0.000 1.034 480 S CB 0.623 63.866 63.200 0.072 0.000 0.939 480 S HN 0.759 nan 8.310 nan 0.000 0.513 481 N N 3.011 121.744 118.700 0.055 0.000 2.571 481 N HA -0.046 4.693 4.740 -0.000 0.000 0.189 481 N C 0.712 176.241 175.510 0.031 0.000 1.154 481 N CA 0.452 53.514 53.050 0.020 0.000 0.907 481 N CB -0.207 38.282 38.487 0.004 0.000 0.977 481 N HN 0.382 nan 8.380 nan 0.000 0.449 482 S N -0.272 115.454 115.700 0.043 0.000 2.556 482 S HA 0.315 4.785 4.470 -0.000 0.000 0.216 482 S C 0.886 175.507 174.600 0.034 0.000 0.970 482 S CA -0.335 57.888 58.200 0.039 0.000 0.912 482 S CB 0.147 63.373 63.200 0.042 0.000 0.790 482 S HN 0.622 nan 8.310 nan 0.000 0.504 483 A N 1.658 124.499 122.820 0.035 0.000 2.483 483 A HA 0.243 4.563 4.320 -0.000 0.000 0.238 483 A C 1.418 179.019 177.584 0.029 0.000 1.070 483 A CA -0.163 51.891 52.037 0.028 0.000 0.770 483 A CB 0.158 19.174 19.000 0.025 0.000 1.008 483 A HN 0.224 nan 8.150 nan 0.000 0.497 484 E N 1.127 121.338 120.200 0.017 0.000 2.058 484 E HA -0.143 4.206 4.350 -0.000 0.000 0.194 484 E C -0.286 176.342 176.600 0.047 0.000 0.997 484 E CA 1.932 58.344 56.400 0.021 0.000 0.801 484 E CB 0.072 29.772 29.700 -0.001 0.000 0.746 484 E HN 0.647 nan 8.360 nan 0.000 0.450 485 D N 0.848 121.267 120.400 0.031 0.000 2.461 485 D HA 0.139 4.778 4.640 -0.000 0.000 0.240 485 D C -2.169 174.179 176.300 0.080 0.000 1.094 485 D CA -1.498 52.549 54.000 0.079 0.000 0.868 485 D CB 1.569 42.319 40.800 -0.084 0.000 1.062 485 D HN 0.186 nan 8.370 nan 0.000 0.530 486 P HA 0.056 nan 4.420 nan 0.000 0.269 486 P C -0.724 176.702 177.300 0.210 0.000 1.601 486 P CA -0.081 63.107 63.100 0.147 0.000 0.831 486 P CB -0.730 31.028 31.700 0.097 0.000 1.688 487 F N -1.579 118.282 119.950 -0.148 0.000 2.654 487 F HA 0.656 5.183 4.527 -0.000 0.000 0.308 487 F C -1.568 174.051 175.800 -0.301 0.000 1.108 487 F CA -2.294 55.508 58.000 -0.331 0.000 0.957 487 F CB 0.732 39.399 39.000 -0.554 0.000 1.309 487 F HN -0.328 nan 8.300 nan 0.000 0.446 488 I N 2.286 122.630 120.570 -0.378 0.000 2.545 488 I HA 0.798 4.968 4.170 -0.000 0.000 0.292 488 I C -0.771 175.158 176.117 -0.314 0.000 1.040 488 I CA -1.150 59.961 61.300 -0.316 0.000 1.068 488 I CB 2.040 40.007 38.000 -0.055 0.000 1.251 488 I HN 1.018 nan 8.210 nan 0.000 0.424 489 A N 7.503 130.183 122.820 -0.233 0.000 2.393 489 A HA 0.923 5.243 4.320 -0.000 0.000 0.306 489 A C -0.882 176.743 177.584 0.068 0.000 1.050 489 A CA -0.502 51.459 52.037 -0.127 0.000 0.724 489 A CB 1.417 20.265 19.000 -0.252 0.000 1.248 489 A HN 0.726 nan 8.150 nan 0.000 0.424 490 I N -0.036 120.649 120.570 0.192 0.000 2.769 490 I HA 0.918 5.088 4.170 -0.000 0.000 0.298 490 I C -0.734 175.490 176.117 0.178 0.000 1.128 490 I CA -0.923 60.443 61.300 0.110 0.000 1.031 490 I CB 2.403 40.418 38.000 0.024 0.000 1.235 490 I HN 0.948 nan 8.210 nan 0.000 0.423 491 H N 2.873 122.038 119.070 0.160 0.000 2.966 491 H HA 0.747 5.302 4.556 -0.000 0.000 0.330 491 H C 0.475 175.902 175.328 0.164 0.000 1.292 491 H CA -0.375 55.684 56.048 0.018 0.000 1.127 491 H CB 1.187 30.800 29.762 -0.247 0.000 1.863 491 H HN 0.667 nan 8.280 nan 0.000 0.543 492 A N 0.182 123.185 122.820 0.306 0.000 1.958 492 A HA -0.224 4.096 4.320 -0.000 0.000 0.221 492 A C 1.569 179.280 177.584 0.211 0.000 1.178 492 A CA 2.068 54.256 52.037 0.252 0.000 0.642 492 A CB -0.693 18.381 19.000 0.123 0.000 0.816 492 A HN 0.728 nan 8.150 nan 0.000 0.453 493 E N -0.181 120.255 120.200 0.393 0.000 2.489 493 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 493 E C 1.555 178.207 176.600 0.087 0.000 1.057 493 E CA 0.870 57.416 56.400 0.244 0.000 0.866 493 E CB -0.056 29.806 29.700 0.270 0.000 0.916 493 E HN 0.752 nan 8.360 nan 0.000 0.500 494 S N -0.210 115.397 115.700 -0.155 0.000 2.554 494 S HA 0.130 4.600 4.470 -0.000 0.000 0.226 494 S C 0.738 175.244 174.600 -0.158 0.000 0.980 494 S CA -0.459 57.609 58.200 -0.221 0.000 0.939 494 S CB 0.169 63.106 63.200 -0.439 0.000 0.832 494 S HN -0.030 nan 8.310 nan 0.000 0.486 495 K N 1.339 121.609 120.400 -0.217 0.000 2.298 495 K HA 0.306 4.626 4.320 -0.000 0.000 0.280 495 K C -0.280 176.127 176.600 -0.322 0.000 1.032 495 K CA -0.659 55.300 56.287 -0.546 0.000 0.958 495 K CB 0.376 32.441 32.500 -0.725 0.000 0.978 495 K HN 0.136 nan 8.250 nan 0.000 0.472 496 L N 0.000 121.035 121.223 -0.313 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.733 54.840 -0.178 0.000 0.813 496 L CB 0.000 41.979 42.059 -0.134 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502