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 3ij7_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 0.000 175.964 175.900 0.107 0.000 1.272 2 Y CA 0.000 58.193 58.100 0.155 0.000 1.940 2 Y CB 0.000 38.489 38.460 0.048 0.000 1.050 3 S N 2.801 118.564 115.700 0.106 0.000 2.499 3 S HA 0.320 4.790 4.470 -0.000 0.000 0.279 3 S C -1.837 172.447 174.600 -0.527 0.000 1.219 3 S CA -1.386 56.704 58.200 -0.184 0.000 1.062 3 S CB 1.286 64.429 63.200 -0.095 0.000 0.978 3 S HN -0.061 nan 8.310 nan 0.000 0.489 4 P HA -0.005 nan 4.420 nan 0.000 0.221 4 P C 0.052 177.061 177.300 -0.484 0.000 1.145 4 P CA 0.710 62.807 63.100 -1.672 0.000 0.795 4 P CB -0.122 30.448 31.700 -1.883 0.000 0.775 5 N N -2.604 115.940 118.700 -0.259 0.000 2.782 5 N HA -0.101 4.639 4.740 -0.000 0.000 0.251 5 N C -0.126 175.439 175.510 0.092 0.000 1.101 5 N CA 1.441 54.480 53.050 -0.018 0.000 0.764 5 N CB -2.225 36.255 38.487 -0.012 0.000 1.122 5 N HN 0.325 nan 8.380 nan 0.000 0.561 6 T N -2.321 112.244 114.554 0.019 0.000 2.816 6 T HA 0.312 4.662 4.350 -0.000 0.000 0.282 6 T C 0.594 175.328 174.700 0.055 0.000 0.993 6 T CA -0.530 61.620 62.100 0.084 0.000 0.994 6 T CB 1.666 70.597 68.868 0.106 0.000 1.025 6 T HN 0.061 nan 8.240 nan 0.000 0.529 7 Q N 1.042 120.869 119.800 0.045 0.000 2.364 7 Q HA 0.079 4.419 4.340 -0.000 0.000 0.267 7 Q C 0.269 176.279 176.000 0.016 0.000 0.999 7 Q CA -0.151 55.663 55.803 0.020 0.000 0.886 7 Q CB 0.523 29.263 28.738 0.002 0.000 1.243 7 Q HN 0.580 nan 8.270 nan 0.000 0.415 8 Q N 0.206 120.011 119.800 0.008 0.000 2.283 8 Q HA 0.010 4.350 4.340 -0.000 0.000 0.301 8 Q C 0.735 176.733 176.000 -0.003 0.000 1.063 8 Q CA 1.055 56.859 55.803 0.003 0.000 0.952 8 Q CB 0.334 29.072 28.738 0.000 0.000 1.166 8 Q HN 1.054 nan 8.270 nan 0.000 0.381 9 G N 3.092 111.887 108.800 -0.007 0.000 2.232 9 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.226 9 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.226 9 G C -0.009 174.875 174.900 -0.027 0.000 0.996 9 G CA -0.433 44.654 45.100 -0.022 0.000 0.626 9 G HN 0.532 nan 8.290 nan 0.000 0.509 10 R N 1.084 121.581 120.500 -0.005 0.000 2.265 10 R HA 0.529 4.869 4.340 -0.000 0.000 0.328 10 R C 0.842 177.158 176.300 0.027 0.000 0.969 10 R CA 0.298 56.397 56.100 -0.003 0.000 0.832 10 R CB 1.024 31.341 30.300 0.029 0.000 1.139 10 R HN 0.320 nan 8.270 nan 0.000 0.457 11 T N -2.533 111.997 114.554 -0.040 0.000 3.085 11 T HA 0.227 4.577 4.350 -0.000 0.000 0.264 11 T C 0.412 174.900 174.700 -0.353 0.000 1.019 11 T CA -0.255 61.811 62.100 -0.056 0.000 0.910 11 T CB 0.421 69.237 68.868 -0.086 0.000 1.059 11 T HN 0.256 nan 8.240 nan 0.000 0.542 12 S N 1.155 116.675 115.700 -0.300 0.000 2.588 12 S HA 0.791 5.261 4.470 -0.000 0.000 0.275 12 S C -0.903 173.603 174.600 -0.157 0.000 1.130 12 S CA -1.075 56.845 58.200 -0.467 0.000 0.855 12 S CB 1.750 64.737 63.200 -0.354 0.000 1.116 12 S HN 0.587 nan 8.310 nan 0.000 0.472 13 I N -0.951 119.527 120.570 -0.153 0.000 2.740 13 I HA 0.928 5.098 4.170 -0.000 0.000 0.303 13 I C -0.988 175.171 176.117 0.070 0.000 1.044 13 I CA -1.062 60.275 61.300 0.062 0.000 1.064 13 I CB 1.816 39.850 38.000 0.057 0.000 1.249 13 I HN 0.430 nan 8.210 nan 0.000 0.433 14 V N 3.475 123.452 119.914 0.104 0.000 2.604 14 V HA 0.426 4.546 4.120 -0.000 0.000 0.305 14 V C -1.099 175.001 176.094 0.010 0.000 1.043 14 V CA -0.356 61.960 62.300 0.027 0.000 0.888 14 V CB 1.649 33.402 31.823 -0.116 0.000 0.995 14 V HN 0.876 nan 8.190 nan 0.000 0.429 15 H N 6.828 125.842 119.070 -0.093 0.000 2.872 15 H HA 0.399 4.955 4.556 -0.000 0.000 0.273 15 H C -0.256 174.984 175.328 -0.146 0.000 1.205 15 H CA -0.541 55.475 56.048 -0.054 0.000 1.342 15 H CB 0.300 30.064 29.762 0.003 0.000 1.469 15 H HN 0.613 nan 8.280 nan 0.000 0.487 16 L N 6.785 127.867 121.223 -0.236 0.000 2.391 16 L HA 0.069 4.409 4.340 -0.000 0.000 0.249 16 L C 0.166 176.876 176.870 -0.267 0.000 1.308 16 L CA -0.543 53.852 54.840 -0.741 0.000 1.209 16 L CB -0.837 40.522 42.059 -1.167 0.000 1.401 16 L HN 0.443 nan 8.230 nan 0.000 0.416 17 F N 4.304 123.979 119.950 -0.458 0.000 2.571 17 F HA -0.041 4.486 4.527 -0.000 0.000 0.390 17 F C 1.366 177.373 175.800 0.345 0.000 1.043 17 F CA 0.193 58.020 58.000 -0.289 0.000 1.164 17 F CB -0.155 38.601 39.000 -0.406 0.000 1.049 17 F HN 0.497 nan 8.300 nan 0.000 0.552 18 E N 2.605 122.823 120.200 0.029 0.000 3.286 18 E HA -0.301 4.049 4.350 -0.000 0.000 0.292 18 E C -0.659 176.049 176.600 0.181 0.000 0.928 18 E CA 0.837 57.224 56.400 -0.022 0.000 0.982 18 E CB -1.664 27.878 29.700 -0.264 0.000 1.500 18 E HN 0.613 nan 8.360 nan 0.000 0.441 19 W N 1.518 122.749 121.300 -0.115 0.000 2.202 19 W HA 0.224 4.884 4.660 -0.000 0.000 0.332 19 W C 1.465 177.818 176.519 -0.277 0.000 1.263 19 W CA -0.085 57.087 57.345 -0.289 0.000 1.223 19 W CB 0.326 29.622 29.460 -0.274 0.000 1.128 19 W HN -0.097 nan 8.180 nan 0.000 0.573 20 R N 1.899 122.306 120.500 -0.155 0.000 2.582 20 R HA 0.088 4.428 4.340 -0.000 0.000 0.271 20 R C 1.048 177.359 176.300 0.019 0.000 1.078 20 R CA -0.317 55.619 56.100 -0.273 0.000 1.127 20 R CB 0.553 30.716 30.300 -0.228 0.000 1.038 20 R HN 0.698 nan 8.270 nan 0.000 0.500 21 W N 0.557 121.899 121.300 0.069 0.000 2.338 21 W HA -0.226 4.434 4.660 -0.000 0.000 0.304 21 W C 1.957 178.485 176.519 0.015 0.000 1.212 21 W CA 0.160 57.537 57.345 0.053 0.000 1.264 21 W CB -0.328 29.180 29.460 0.081 0.000 1.142 21 W HN 0.421 nan 8.180 nan 0.000 0.512 22 V N 1.071 121.117 119.914 0.219 0.000 2.490 22 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 22 V C 1.750 177.889 176.094 0.074 0.000 1.061 22 V CA 2.288 64.656 62.300 0.113 0.000 1.064 22 V CB -0.527 31.331 31.823 0.058 0.000 0.670 22 V HN 0.093 nan 8.190 nan 0.000 0.461 23 D N -0.216 120.213 120.400 0.047 0.000 2.149 23 D HA -0.071 4.568 4.640 -0.000 0.000 0.201 23 D C 2.071 178.487 176.300 0.194 0.000 0.972 23 D CA 1.640 55.646 54.000 0.010 0.000 0.835 23 D CB -0.010 40.654 40.800 -0.226 0.000 0.966 23 D HN 0.487 nan 8.370 nan 0.000 0.476 24 I N 1.299 122.032 120.570 0.270 0.000 2.315 24 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 24 I C 2.565 178.734 176.117 0.087 0.000 1.117 24 I CA 0.638 62.066 61.300 0.214 0.000 1.404 24 I CB -0.191 37.925 38.000 0.194 0.000 1.071 24 I HN -0.104 nan 8.210 nan 0.000 0.419 25 A N 1.212 124.075 122.820 0.072 0.000 1.908 25 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 25 A C 2.293 179.893 177.584 0.027 0.000 1.181 25 A CA 1.513 53.559 52.037 0.015 0.000 0.627 25 A CB -0.840 18.169 19.000 0.017 0.000 0.818 25 A HN 0.373 nan 8.150 nan 0.000 0.445 26 L N -1.171 120.083 121.223 0.052 0.000 2.056 26 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 26 L C 2.644 179.559 176.870 0.075 0.000 1.078 26 L CA 1.678 56.550 54.840 0.052 0.000 0.749 26 L CB -0.454 41.630 42.059 0.042 0.000 0.901 26 L HN 0.446 nan 8.230 nan 0.000 0.433 27 E N -0.301 119.965 120.200 0.109 0.000 2.110 27 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 27 E C 2.253 178.902 176.600 0.080 0.000 0.988 27 E CA 1.457 57.935 56.400 0.130 0.000 0.804 27 E CB -0.271 29.533 29.700 0.173 0.000 0.745 27 E HN 0.417 nan 8.360 nan 0.000 0.458 28 c N 0.428 119.043 118.600 0.026 0.000 2.413 28 c HA -0.113 4.457 4.570 -0.000 0.000 0.276 28 c C 2.390 176.493 174.090 0.022 0.000 1.236 28 c CA 1.286 57.613 56.329 -0.003 0.000 1.735 28 c CB -0.856 41.627 42.510 -0.045 0.000 2.031 28 c HN 0.544 nan 8.230 nan 0.000 0.474 29 E N 0.195 120.412 120.200 0.028 0.000 2.051 29 E HA -0.145 4.205 4.350 -0.000 0.000 0.189 29 E C 2.381 179.013 176.600 0.054 0.000 0.979 29 E CA 0.836 57.254 56.400 0.030 0.000 0.803 29 E CB -0.235 29.479 29.700 0.024 0.000 0.761 29 E HN 0.666 nan 8.360 nan 0.000 0.451 30 R N -0.771 119.778 120.500 0.083 0.000 2.240 30 R HA -0.041 4.298 4.340 -0.000 0.000 0.203 30 R C 1.160 177.571 176.300 0.184 0.000 1.011 30 R CA 1.092 57.259 56.100 0.112 0.000 1.007 30 R CB 0.091 30.458 30.300 0.111 0.000 0.911 30 R HN 0.270 nan 8.270 nan 0.000 0.468 31 Y N -0.106 120.211 120.300 0.028 0.000 3.087 31 Y HA 0.246 4.796 4.550 -0.000 0.000 0.227 31 Y C 1.791 177.713 175.900 0.037 0.000 1.015 31 Y CA -0.241 57.880 58.100 0.036 0.000 1.399 31 Y CB 0.162 38.638 38.460 0.026 0.000 1.483 31 Y HN -0.166 nan 8.280 nan 0.000 0.420 32 L N 0.636 121.955 121.223 0.161 0.000 2.013 32 L HA -0.244 4.095 4.340 -0.000 0.000 0.212 32 L C 2.616 179.561 176.870 0.125 0.000 1.073 32 L CA 1.693 56.573 54.840 0.067 0.000 0.753 32 L CB -0.973 41.067 42.059 -0.033 0.000 0.890 32 L HN 0.413 nan 8.230 nan 0.000 0.432 33 A N 0.436 123.292 122.820 0.060 0.000 1.858 33 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 33 A C 0.098 177.697 177.584 0.025 0.000 1.190 33 A CA 1.590 53.652 52.037 0.041 0.000 0.617 33 A CB -1.869 17.140 19.000 0.015 0.000 0.827 33 A HN 0.306 nan 8.150 nan 0.000 0.443 34 P HA -0.100 nan 4.420 nan 0.000 0.218 34 P C 0.813 178.082 177.300 -0.052 0.000 1.148 34 P CA 1.265 64.346 63.100 -0.033 0.000 0.822 34 P CB -0.006 31.665 31.700 -0.048 0.000 0.784 35 K N -1.342 119.014 120.400 -0.072 0.000 2.444 35 K HA 0.284 4.603 4.320 -0.000 0.000 0.193 35 K C 1.212 177.841 176.600 0.049 0.000 1.024 35 K CA 0.604 56.869 56.287 -0.037 0.000 1.077 35 K CB -0.980 31.457 32.500 -0.105 0.000 0.833 35 K HN 0.151 nan 8.250 nan 0.000 0.517 36 G N 0.462 109.301 108.800 0.064 0.000 2.147 36 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 36 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 36 G C -0.187 174.711 174.900 -0.004 0.000 1.005 36 G CA -0.293 44.812 45.100 0.008 0.000 0.713 36 G HN 0.193 nan 8.290 nan 0.000 0.515 37 F N 0.536 120.481 119.950 -0.008 0.000 2.484 37 F HA 0.480 5.006 4.527 -0.000 0.000 0.360 37 F C 1.851 177.663 175.800 0.020 0.000 1.101 37 F CA 0.977 58.985 58.000 0.012 0.000 1.251 37 F CB 1.238 40.260 39.000 0.036 0.000 1.132 37 F HN 0.001 nan 8.300 nan 0.000 0.570 38 G N 1.553 110.456 108.800 0.172 0.000 2.408 38 G HA2 0.376 4.336 3.960 -0.000 0.000 0.215 38 G HA3 0.376 4.336 3.960 -0.000 0.000 0.215 38 G C 0.518 175.560 174.900 0.236 0.000 1.156 38 G CA 0.717 45.922 45.100 0.175 0.000 0.793 38 G HN 1.019 nan 8.290 nan 0.000 0.535 39 G N -2.164 106.808 108.800 0.285 0.000 2.488 39 G HA2 0.460 4.420 3.960 -0.000 0.000 0.301 39 G HA3 0.460 4.420 3.960 -0.000 0.000 0.301 39 G C -2.214 172.842 174.900 0.259 0.000 1.339 39 G CA -0.245 45.053 45.100 0.331 0.000 0.803 39 G HN 0.479 nan 8.290 nan 0.000 0.482 40 V N 0.460 120.520 119.914 0.244 0.000 2.577 40 V HA 0.535 4.655 4.120 -0.000 0.000 0.303 40 V C -0.192 176.058 176.094 0.260 0.000 1.042 40 V CA -0.647 61.735 62.300 0.135 0.000 0.872 40 V CB 1.639 33.444 31.823 -0.031 0.000 0.998 40 V HN 0.847 nan 8.190 nan 0.000 0.423 41 Q N 3.703 123.651 119.800 0.246 0.000 2.322 41 Q HA 0.588 4.927 4.340 -0.000 0.000 0.256 41 Q C -0.599 175.587 176.000 0.311 0.000 0.960 41 Q CA -0.425 55.544 55.803 0.276 0.000 0.934 41 Q CB 1.698 30.527 28.738 0.151 0.000 1.200 41 Q HN 0.803 nan 8.270 nan 0.000 0.435 42 V N 1.287 121.374 119.914 0.288 0.000 2.837 42 V HA 0.573 4.692 4.120 -0.000 0.000 0.310 42 V C 0.137 176.504 176.094 0.455 0.000 1.059 42 V CA -0.830 61.710 62.300 0.399 0.000 1.004 42 V CB 1.650 33.690 31.823 0.361 0.000 1.045 42 V HN 0.760 nan 8.190 nan 0.000 0.465 43 S N 2.966 118.990 115.700 0.541 0.000 2.589 43 S HA 0.323 4.793 4.470 -0.000 0.000 0.265 43 S C -2.372 172.444 174.600 0.361 0.000 1.342 43 S CA -0.339 58.114 58.200 0.421 0.000 1.005 43 S CB 0.134 63.517 63.200 0.305 0.000 0.909 43 S HN 0.852 nan 8.310 nan 0.000 0.555 44 P HA 0.032 nan 4.420 nan 0.000 0.258 44 P C -1.920 175.518 177.300 0.230 0.000 1.172 44 P CA -0.649 62.532 63.100 0.135 0.000 0.762 44 P CB -0.005 31.654 31.700 -0.069 0.000 0.764 45 P HA -0.042 nan 4.420 nan 0.000 0.249 45 P C -0.135 177.239 177.300 0.123 0.000 1.229 45 P CA 0.635 63.887 63.100 0.253 0.000 0.788 45 P CB 0.141 31.692 31.700 -0.248 0.000 1.072 46 N N 0.628 119.381 118.700 0.089 0.000 2.509 46 N HA 0.047 4.787 4.740 -0.000 0.000 0.287 46 N C -0.180 175.297 175.510 -0.055 0.000 1.121 46 N CA -0.460 52.579 53.050 -0.019 0.000 0.977 46 N CB 1.370 39.756 38.487 -0.170 0.000 1.167 46 N HN -0.031 nan 8.380 nan 0.000 0.476 47 E N 0.677 120.828 120.200 -0.083 0.000 2.568 47 E HA -0.120 4.230 4.350 -0.000 0.000 0.262 47 E C -0.378 176.132 176.600 -0.150 0.000 0.961 47 E CA 0.165 56.506 56.400 -0.099 0.000 0.945 47 E CB 0.290 29.930 29.700 -0.100 0.000 0.924 47 E HN 0.756 nan 8.360 nan 0.000 0.467 48 N N 1.831 120.444 118.700 -0.144 0.000 2.629 48 N HA 0.254 4.994 4.740 -0.000 0.000 0.279 48 N C -0.976 174.416 175.510 -0.197 0.000 1.344 48 N CA -0.787 52.164 53.050 -0.166 0.000 0.789 48 N CB 1.016 39.429 38.487 -0.124 0.000 1.508 48 N HN 0.194 nan 8.380 nan 0.000 0.516 49 V N 0.314 120.110 119.914 -0.196 0.000 2.637 49 V HA 0.316 4.436 4.120 -0.000 0.000 0.296 49 V C 0.647 176.672 176.094 -0.115 0.000 1.046 49 V CA -0.491 61.714 62.300 -0.159 0.000 1.066 49 V CB 0.581 32.376 31.823 -0.048 0.000 0.968 49 V HN 0.838 nan 8.190 nan 0.000 0.483 50 A N 7.142 129.913 122.820 -0.082 0.000 2.316 50 A HA 0.647 4.967 4.320 -0.000 0.000 0.311 50 A C -0.311 177.096 177.584 -0.295 0.000 1.339 50 A CA -0.324 51.576 52.037 -0.227 0.000 0.960 50 A CB -0.308 18.610 19.000 -0.137 0.000 1.152 50 A HN 0.763 nan 8.150 nan 0.000 0.547 51 I N 2.392 122.705 120.570 -0.428 0.000 2.336 51 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 51 I C -0.144 175.636 176.117 -0.561 0.000 0.991 51 I CA -0.129 60.968 61.300 -0.338 0.000 1.227 51 I CB 1.191 39.038 38.000 -0.255 0.000 1.366 51 I HN 0.766 nan 8.210 nan 0.000 0.466 52 Y N 3.132 123.375 120.300 -0.095 0.000 2.449 52 Y HA 0.192 4.742 4.550 -0.000 0.000 0.254 52 Y C 0.685 176.580 175.900 -0.008 0.000 1.140 52 Y CA -0.277 57.804 58.100 -0.032 0.000 1.272 52 Y CB 0.291 38.782 38.460 0.052 0.000 1.114 52 Y HN 0.509 nan 8.280 nan 0.000 0.525 53 N N 1.459 120.170 118.700 0.019 0.000 2.609 53 N HA 0.241 4.981 4.740 -0.000 0.000 0.268 53 N C -2.886 172.544 175.510 -0.134 0.000 1.106 53 N CA -1.927 51.093 53.050 -0.050 0.000 0.823 53 N CB 1.124 39.615 38.487 0.007 0.000 1.263 53 N HN -0.153 nan 8.380 nan 0.000 0.533 54 P HA 0.170 nan 4.420 nan 0.000 0.275 54 P C -0.554 176.547 177.300 -0.331 0.000 1.270 54 P CA -0.380 62.357 63.100 -0.604 0.000 0.791 54 P CB 0.552 31.300 31.700 -1.587 0.000 1.089 55 F N 1.946 121.717 119.950 -0.298 0.000 2.462 55 F HA 0.145 4.672 4.527 -0.001 0.000 0.360 55 F C 0.699 176.471 175.800 -0.047 0.000 1.134 55 F CA -0.281 57.686 58.000 -0.055 0.000 1.148 55 F CB -0.214 38.847 39.000 0.102 0.000 1.147 55 F HN 0.193 nan 8.300 nan 0.000 0.550 56 R N 3.818 123.836 120.500 -0.803 0.000 2.965 56 R HA -0.162 4.178 4.340 -0.000 0.000 0.245 56 R C -2.643 173.395 176.300 -0.438 0.000 0.861 56 R CA 0.171 55.832 56.100 -0.733 0.000 0.614 56 R CB -2.354 27.413 30.300 -0.889 0.000 1.229 56 R HN 0.397 nan 8.270 nan 0.000 0.503 57 P HA -0.033 nan 4.420 nan 0.000 0.272 57 P C 1.496 178.442 177.300 -0.590 0.000 1.230 57 P CA -0.473 62.243 63.100 -0.640 0.000 0.788 57 P CB 0.252 30.965 31.700 -1.645 0.000 0.949 58 W N 3.213 124.337 121.300 -0.294 0.000 2.363 58 W HA -0.115 4.545 4.660 -0.000 0.000 0.296 58 W C 1.630 178.228 176.519 0.132 0.000 1.212 58 W CA 0.836 58.154 57.345 -0.046 0.000 1.260 58 W CB -1.776 27.820 29.460 0.228 0.000 1.131 58 W HN 0.447 nan 8.180 nan 0.000 0.530 59 W N 3.356 124.191 121.300 -0.775 0.000 2.825 59 W HA -0.007 4.653 4.660 -0.000 0.000 0.243 59 W C 1.634 178.079 176.519 -0.124 0.000 1.293 59 W CA 0.926 57.922 57.345 -0.583 0.000 1.403 59 W CB -1.449 27.337 29.460 -1.124 0.000 1.134 59 W HN 0.230 nan 8.180 nan 0.000 0.666 60 E N 1.916 122.056 120.200 -0.100 0.000 2.265 60 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 60 E C 1.818 178.421 176.600 0.005 0.000 0.996 60 E CA 0.932 57.313 56.400 -0.032 0.000 0.832 60 E CB -0.551 28.995 29.700 -0.257 0.000 0.756 60 E HN 0.249 nan 8.360 nan 0.000 0.491 61 R N -0.455 120.031 120.500 -0.024 0.000 2.316 61 R HA -0.030 4.310 4.340 -0.000 0.000 0.202 61 R C 0.377 176.520 176.300 -0.262 0.000 1.029 61 R CA 0.675 56.681 56.100 -0.158 0.000 1.018 61 R CB -0.035 30.135 30.300 -0.216 0.000 0.888 61 R HN 0.322 nan 8.270 nan 0.000 0.471 62 Y N 0.266 120.686 120.300 0.201 0.000 2.658 62 Y HA 0.219 4.769 4.550 -0.000 0.000 0.276 62 Y C 0.149 176.199 175.900 0.250 0.000 1.167 62 Y CA -0.127 58.123 58.100 0.250 0.000 1.230 62 Y CB 0.592 39.251 38.460 0.332 0.000 1.144 62 Y HN -0.104 nan 8.280 nan 0.000 0.529 63 Q N 1.319 121.248 119.800 0.215 0.000 2.907 63 Q HA 0.277 4.617 4.340 -0.000 0.000 0.262 63 Q C -2.707 173.300 176.000 0.011 0.000 0.997 63 Q CA -2.082 53.816 55.803 0.159 0.000 0.797 63 Q CB 1.233 30.057 28.738 0.142 0.000 1.228 63 Q HN 0.069 nan 8.270 nan 0.000 0.466 64 P HA -0.073 nan 4.420 nan 0.000 0.266 64 P C 0.182 177.341 177.300 -0.235 0.000 1.195 64 P CA 0.184 63.185 63.100 -0.165 0.000 0.768 64 P CB 1.158 32.740 31.700 -0.197 0.000 0.838 65 V N 0.653 120.393 119.914 -0.290 0.000 3.359 65 V HA 0.113 4.233 4.120 -0.000 0.000 0.245 65 V C 0.857 176.835 176.094 -0.193 0.000 1.247 65 V CA 1.482 63.625 62.300 -0.262 0.000 1.145 65 V CB 0.496 32.034 31.823 -0.476 0.000 0.906 65 V HN 0.805 nan 8.190 nan 0.000 0.464 66 S N -2.204 113.284 115.700 -0.353 0.000 2.703 66 S HA 0.463 4.933 4.470 -0.000 0.000 0.273 66 S C -0.916 173.307 174.600 -0.628 0.000 1.178 66 S CA -0.372 57.547 58.200 -0.468 0.000 0.838 66 S CB 0.935 64.014 63.200 -0.201 0.000 1.178 66 S HN -0.022 nan 8.310 nan 0.000 0.494 67 Y N 0.929 121.074 120.300 -0.258 0.000 2.607 67 Y HA 0.462 5.011 4.550 -0.000 0.000 0.266 67 Y C 0.582 176.389 175.900 -0.155 0.000 1.178 67 Y CA -0.816 57.041 58.100 -0.405 0.000 1.226 67 Y CB -0.125 38.065 38.460 -0.450 0.000 1.144 67 Y HN 0.394 nan 8.280 nan 0.000 0.528 68 K N 0.921 121.324 120.400 0.005 0.000 2.368 68 K HA 0.138 4.458 4.320 -0.000 0.000 0.282 68 K C -0.437 176.195 176.600 0.054 0.000 1.035 68 K CA -0.456 55.867 56.287 0.062 0.000 0.973 68 K CB 0.756 33.278 32.500 0.037 0.000 0.957 68 K HN -0.042 nan 8.250 nan 0.000 0.474 69 L N 3.906 125.176 121.223 0.078 0.000 2.376 69 L HA 0.041 4.381 4.340 -0.000 0.000 0.250 69 L C -0.296 176.638 176.870 0.106 0.000 1.335 69 L CA 0.306 55.164 54.840 0.029 0.000 1.214 69 L CB -0.621 41.381 42.059 -0.094 0.000 1.395 69 L HN 0.586 nan 8.230 nan 0.000 0.424 70 c N 1.607 120.261 118.600 0.089 0.000 2.547 70 c HA 0.764 5.334 4.570 -0.000 0.000 0.327 70 c C 0.420 174.537 174.090 0.044 0.000 1.076 70 c CA -0.031 56.348 56.329 0.084 0.000 1.390 70 c CB 0.058 42.602 42.510 0.057 0.000 1.918 70 c HN 0.864 nan 8.230 nan 0.000 0.438 71 T N 1.825 116.403 114.554 0.039 0.000 2.696 71 T HA 0.479 4.829 4.350 -0.000 0.000 0.291 71 T C 0.919 175.548 174.700 -0.118 0.000 1.095 71 T CA -0.652 61.423 62.100 -0.042 0.000 1.026 71 T CB 1.041 69.892 68.868 -0.029 0.000 1.390 71 T HN 0.494 nan 8.240 nan 0.000 0.513 72 R N 0.056 120.455 120.500 -0.167 0.000 2.285 72 R HA 0.055 4.394 4.340 -0.000 0.000 0.213 72 R C 1.922 178.042 176.300 -0.301 0.000 1.068 72 R CA 0.840 56.823 56.100 -0.195 0.000 1.004 72 R CB -0.372 29.813 30.300 -0.192 0.000 0.873 72 R HN 0.548 nan 8.270 nan 0.000 0.467 73 S N -0.587 114.817 115.700 -0.493 0.000 2.496 73 S HA 0.153 4.623 4.470 -0.000 0.000 0.224 73 S C 0.663 174.654 174.600 -1.015 0.000 0.996 73 S CA 0.625 58.257 58.200 -0.948 0.000 0.927 73 S CB 0.761 62.865 63.200 -1.827 0.000 0.774 73 S HN 0.642 nan 8.310 nan 0.000 0.524 74 G N 1.415 109.905 108.800 -0.518 0.000 2.369 74 G HA2 0.113 4.073 3.960 -0.000 0.000 0.295 74 G HA3 0.113 4.073 3.960 -0.000 0.000 0.295 74 G C -1.394 173.621 174.900 0.192 0.000 1.298 74 G CA -0.643 44.388 45.100 -0.115 0.000 0.940 74 G HN 0.340 nan 8.290 nan 0.000 0.536 75 N N -0.758 118.102 118.700 0.267 0.000 2.604 75 N HA 0.468 5.208 4.740 -0.000 0.000 0.297 75 N C 1.088 176.790 175.510 0.320 0.000 1.266 75 N CA 0.079 53.277 53.050 0.247 0.000 0.961 75 N CB 0.938 39.520 38.487 0.159 0.000 1.166 75 N HN 0.807 nan 8.380 nan 0.000 0.601 76 E N -0.827 119.506 120.200 0.223 0.000 2.110 76 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 76 E C 0.418 177.155 176.600 0.228 0.000 0.988 76 E CA 1.420 57.944 56.400 0.208 0.000 0.804 76 E CB -0.141 29.664 29.700 0.175 0.000 0.745 76 E HN 0.521 nan 8.360 nan 0.000 0.458 77 D N 0.604 121.120 120.400 0.192 0.000 2.104 77 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 77 D C 1.774 178.178 176.300 0.174 0.000 0.994 77 D CA 1.342 55.439 54.000 0.161 0.000 0.830 77 D CB -0.153 40.724 40.800 0.129 0.000 0.959 77 D HN 0.411 nan 8.370 nan 0.000 0.452 78 E N -0.346 119.996 120.200 0.236 0.000 2.150 78 E HA -0.131 4.218 4.350 -0.000 0.000 0.193 78 E C 1.906 178.662 176.600 0.261 0.000 0.985 78 E CA 0.286 56.851 56.400 0.275 0.000 0.814 78 E CB -0.156 29.758 29.700 0.358 0.000 0.752 78 E HN 0.225 nan 8.360 nan 0.000 0.466 79 F N 1.846 121.833 119.950 0.062 0.000 2.113 79 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 79 F C 2.239 177.894 175.800 -0.242 0.000 1.103 79 F CA 1.411 59.176 58.000 -0.393 0.000 1.248 79 F CB 0.109 38.813 39.000 -0.492 0.000 0.999 79 F HN -0.216 nan 8.300 nan 0.000 0.475 80 R N 0.201 120.715 120.500 0.023 0.000 2.081 80 R HA -0.213 4.127 4.340 -0.000 0.000 0.235 80 R C 2.289 178.542 176.300 -0.078 0.000 1.131 80 R CA 1.421 57.508 56.100 -0.021 0.000 0.960 80 R CB -0.955 29.409 30.300 0.106 0.000 0.856 80 R HN 0.428 nan 8.270 nan 0.000 0.436 81 N N 1.091 119.777 118.700 -0.022 0.000 2.069 81 N HA -0.228 4.512 4.740 -0.000 0.000 0.191 81 N C 1.852 177.312 175.510 -0.082 0.000 1.031 81 N CA 1.555 54.598 53.050 -0.010 0.000 0.852 81 N CB -0.027 38.483 38.487 0.039 0.000 1.018 81 N HN 0.227 nan 8.380 nan 0.000 0.423 82 M N 0.722 120.227 119.600 -0.159 0.000 2.067 82 M HA -0.133 4.347 4.480 -0.000 0.000 0.260 82 M C 2.008 178.098 176.300 -0.349 0.000 1.069 82 M CA 1.367 56.533 55.300 -0.222 0.000 1.117 82 M CB -0.133 32.311 32.600 -0.260 0.000 1.334 82 M HN -0.037 nan 8.290 nan 0.000 0.407 83 V N 0.622 120.215 119.914 -0.535 0.000 2.332 83 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 83 V C 2.343 178.154 176.094 -0.472 0.000 1.055 83 V CA 2.384 64.348 62.300 -0.560 0.000 1.038 83 V CB -1.258 30.198 31.823 -0.610 0.000 0.651 83 V HN 0.597 nan 8.190 nan 0.000 0.450 84 T N -0.572 113.827 114.554 -0.259 0.000 2.708 84 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 84 T C 2.107 176.749 174.700 -0.097 0.000 1.037 84 T CA 1.581 63.640 62.100 -0.069 0.000 1.146 84 T CB -0.222 68.751 68.868 0.175 0.000 0.865 84 T HN 0.388 nan 8.240 nan 0.000 0.435 85 R N -0.046 120.398 120.500 -0.094 0.000 2.096 85 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 85 R C 2.776 178.999 176.300 -0.128 0.000 1.127 85 R CA 1.290 57.349 56.100 -0.068 0.000 0.968 85 R CB -0.628 29.645 30.300 -0.044 0.000 0.861 85 R HN 0.377 nan 8.270 nan 0.000 0.440 86 c N 0.460 118.936 118.600 -0.207 0.000 2.453 86 c HA -0.011 4.558 4.570 -0.000 0.000 0.277 86 c C 2.298 176.205 174.090 -0.304 0.000 1.262 86 c CA 0.435 56.631 56.329 -0.223 0.000 1.718 86 c CB -0.943 41.416 42.510 -0.251 0.000 2.031 86 c HN 0.513 nan 8.230 nan 0.000 0.480 87 N N 1.597 119.984 118.700 -0.522 0.000 2.166 87 N HA -0.096 4.643 4.740 -0.000 0.000 0.186 87 N C 1.297 176.505 175.510 -0.503 0.000 1.019 87 N CA 1.133 53.698 53.050 -0.808 0.000 0.856 87 N CB -0.645 36.727 38.487 -1.859 0.000 0.993 87 N HN 0.486 nan 8.380 nan 0.000 0.426 88 N N 0.023 118.591 118.700 -0.220 0.000 2.453 88 N HA -0.069 4.671 4.740 -0.000 0.000 0.183 88 N C 1.126 176.624 175.510 -0.020 0.000 1.041 88 N CA 0.239 53.312 53.050 0.038 0.000 0.900 88 N CB 0.095 38.647 38.487 0.107 0.000 0.961 88 N HN 0.046 nan 8.380 nan 0.000 0.443 89 V N -0.846 119.020 119.914 -0.080 0.000 3.483 89 V HA 0.294 4.414 4.120 -0.000 0.000 0.301 89 V C 0.945 177.000 176.094 -0.065 0.000 1.389 89 V CA 0.618 62.886 62.300 -0.052 0.000 1.101 89 V CB -0.304 31.495 31.823 -0.040 0.000 0.971 89 V HN 0.388 nan 8.190 nan 0.000 0.434 90 G N 0.583 109.314 108.800 -0.114 0.000 2.143 90 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.248 90 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.248 90 G C 0.064 174.913 174.900 -0.085 0.000 0.991 90 G CA 0.297 45.334 45.100 -0.105 0.000 0.689 90 G HN 0.624 nan 8.290 nan 0.000 0.522 91 V N 2.010 121.857 119.914 -0.112 0.000 2.384 91 V HA 0.608 4.728 4.120 -0.000 0.000 0.287 91 V C 0.553 176.562 176.094 -0.142 0.000 1.020 91 V CA -1.314 60.946 62.300 -0.068 0.000 0.850 91 V CB 1.492 33.290 31.823 -0.041 0.000 0.987 91 V HN 0.320 nan 8.190 nan 0.000 0.436 92 R N 3.977 124.426 120.500 -0.086 0.000 2.577 92 R HA 0.555 4.895 4.340 -0.000 0.000 0.269 92 R C -0.624 175.473 176.300 -0.338 0.000 1.084 92 R CA -0.714 55.246 56.100 -0.234 0.000 1.163 92 R CB 0.957 31.122 30.300 -0.225 0.000 1.100 92 R HN 0.422 nan 8.270 nan 0.000 0.547 93 I N 2.455 122.681 120.570 -0.573 0.000 2.436 93 I HA 0.299 4.469 4.170 -0.000 0.000 0.289 93 I C -0.745 174.938 176.117 -0.723 0.000 1.010 93 I CA -0.930 60.075 61.300 -0.492 0.000 1.098 93 I CB 1.210 38.939 38.000 -0.452 0.000 1.266 93 I HN 0.432 nan 8.210 nan 0.000 0.434 94 Y N 4.715 124.974 120.300 -0.067 0.000 2.350 94 Y HA 0.483 5.033 4.550 -0.000 0.000 0.338 94 Y C 0.192 176.056 175.900 -0.060 0.000 0.961 94 Y CA -0.972 57.085 58.100 -0.072 0.000 1.100 94 Y CB 1.924 40.475 38.460 0.153 0.000 1.179 94 Y HN 0.174 nan 8.280 nan 0.000 0.454 95 V N 3.002 122.883 119.914 -0.054 0.000 2.465 95 V HA 0.083 4.203 4.120 -0.000 0.000 0.279 95 V C -0.086 176.108 176.094 0.167 0.000 1.045 95 V CA -0.695 61.657 62.300 0.086 0.000 0.938 95 V CB 1.369 33.251 31.823 0.098 0.000 0.986 95 V HN 0.676 nan 8.190 nan 0.000 0.467 96 D N 4.430 124.937 120.400 0.178 0.000 2.383 96 D HA 0.270 4.910 4.640 -0.000 0.000 0.245 96 D C 0.207 176.629 176.300 0.204 0.000 1.263 96 D CA -0.025 54.075 54.000 0.167 0.000 0.936 96 D CB 0.922 41.855 40.800 0.221 0.000 1.053 96 D HN 0.683 nan 8.370 nan 0.000 0.507 97 A N 3.973 126.893 122.820 0.166 0.000 2.310 97 A HA 0.360 4.680 4.320 -0.000 0.000 0.300 97 A C 0.014 177.672 177.584 0.123 0.000 1.269 97 A CA -0.618 51.508 52.037 0.149 0.000 0.909 97 A CB 0.554 19.540 19.000 -0.022 0.000 1.144 97 A HN 0.365 nan 8.150 nan 0.000 0.540 98 V N 5.447 125.450 119.914 0.147 0.000 2.284 98 V HA 0.180 4.300 4.120 -0.000 0.000 0.260 98 V C 0.782 176.858 176.094 -0.029 0.000 1.084 98 V CA 0.293 62.624 62.300 0.052 0.000 0.894 98 V CB -0.483 31.381 31.823 0.068 0.000 1.119 98 V HN 0.872 nan 8.190 nan 0.000 0.484 99 I N 0.452 120.989 120.570 -0.055 0.000 4.240 99 I HA 0.358 4.528 4.170 -0.000 0.000 0.331 99 I C 1.465 177.545 176.117 -0.062 0.000 1.381 99 I CA 0.201 61.481 61.300 -0.033 0.000 1.136 99 I CB 0.173 38.149 38.000 -0.040 0.000 1.137 99 I HN 0.457 nan 8.210 nan 0.000 0.411 100 N N 1.525 120.163 118.700 -0.103 0.000 2.376 100 N HA -0.050 4.690 4.740 -0.000 0.000 0.177 100 N C 0.534 176.075 175.510 0.051 0.000 1.024 100 N CA 0.820 53.881 53.050 0.018 0.000 0.893 100 N CB 0.201 38.786 38.487 0.163 0.000 0.980 100 N HN 0.672 nan 8.380 nan 0.000 0.439 101 H N -3.375 115.719 119.070 0.039 0.000 2.960 101 H HA 0.293 4.849 4.556 0.000 0.000 0.323 101 H C -0.471 174.863 175.328 0.010 0.000 1.326 101 H CA -0.920 55.147 56.048 0.031 0.000 1.124 101 H CB 0.576 30.359 29.762 0.036 0.000 1.853 101 H HN -0.178 nan 8.280 nan 0.000 0.536 102 M N 0.813 120.503 119.600 0.150 0.000 2.320 102 M HA 0.286 4.766 4.480 -0.000 0.000 0.215 102 M C 1.113 177.504 176.300 0.152 0.000 0.732 102 M CA -0.310 54.971 55.300 -0.032 0.000 1.828 102 M CB -0.080 32.266 32.600 -0.424 0.000 1.122 102 M HN 0.865 nan 8.290 nan 0.000 0.894 103 C N -0.141 119.243 119.300 0.139 0.000 2.411 103 C HA 0.805 5.265 4.460 -0.000 0.000 0.358 103 C C 0.974 176.061 174.990 0.162 0.000 1.349 103 C CA -0.964 58.165 59.018 0.184 0.000 2.326 103 C CB -0.457 27.402 27.740 0.199 0.000 2.166 103 C HN 0.823 nan 8.230 nan 0.000 0.609 104 G N 1.465 110.336 108.800 0.117 0.000 2.432 104 G HA2 0.178 4.138 3.960 -0.000 0.000 0.239 104 G HA3 0.178 4.138 3.960 -0.000 0.000 0.239 104 G C 0.905 175.844 174.900 0.064 0.000 1.291 104 G CA 0.209 45.341 45.100 0.053 0.000 0.863 104 G HN 1.045 nan 8.290 nan 0.000 0.560 105 N N 1.347 120.054 118.700 0.012 0.000 2.459 105 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 105 N C 1.684 177.182 175.510 -0.020 0.000 1.046 105 N CA 0.986 54.028 53.050 -0.013 0.000 0.904 105 N CB 0.065 38.524 38.487 -0.046 0.000 0.964 105 N HN 0.419 nan 8.380 nan 0.000 0.444 106 A N 0.772 123.586 122.820 -0.011 0.000 2.238 106 A HA 0.267 4.587 4.320 -0.000 0.000 0.210 106 A C 0.829 178.411 177.584 -0.003 0.000 1.179 106 A CA -0.302 51.725 52.037 -0.017 0.000 0.827 106 A CB 0.031 19.019 19.000 -0.020 0.000 0.856 106 A HN 0.102 nan 8.150 nan 0.000 0.488 107 V N 1.643 121.576 119.914 0.032 0.000 2.673 107 V HA 0.058 4.178 4.120 -0.000 0.000 0.303 107 V C 0.777 176.855 176.094 -0.027 0.000 1.046 107 V CA 0.009 62.345 62.300 0.059 0.000 1.126 107 V CB 1.003 32.937 31.823 0.185 0.000 0.934 107 V HN 0.402 nan 8.190 nan 0.000 0.487 108 S N 3.475 119.141 115.700 -0.056 0.000 2.549 108 S HA 0.453 4.923 4.470 -0.000 0.000 0.279 108 S C 0.498 174.890 174.600 -0.346 0.000 1.321 108 S CA -0.203 57.911 58.200 -0.144 0.000 1.054 108 S CB 0.961 64.106 63.200 -0.091 0.000 0.899 108 S HN 1.067 nan 8.310 nan 0.000 0.497 109 A N 2.504 125.088 122.820 -0.394 0.000 2.425 109 A HA 0.709 5.029 4.320 -0.000 0.000 0.242 109 A C 0.988 178.243 177.584 -0.549 0.000 1.077 109 A CA 0.435 52.084 52.037 -0.647 0.000 0.781 109 A CB -0.273 18.477 19.000 -0.417 0.000 1.020 109 A HN 1.283 nan 8.150 nan 0.000 0.494 110 G N -0.642 107.694 108.800 -0.773 0.000 2.403 110 G HA2 0.374 4.334 3.960 -0.000 0.000 0.223 110 G HA3 0.374 4.334 3.960 -0.000 0.000 0.223 110 G C 0.040 174.826 174.900 -0.190 0.000 1.287 110 G CA 0.543 45.478 45.100 -0.274 0.000 0.982 110 G HN 1.611 nan 8.290 nan 0.000 0.471 111 T N -2.102 112.481 114.554 0.048 0.000 3.296 111 T HA 0.497 4.847 4.350 -0.000 0.000 0.285 111 T C 0.817 175.653 174.700 0.227 0.000 1.014 111 T CA 0.940 63.152 62.100 0.187 0.000 0.920 111 T CB 0.765 69.737 68.868 0.174 0.000 1.143 111 T HN 0.967 nan 8.240 nan 0.000 0.522 112 S N 3.123 118.977 115.700 0.257 0.000 4.175 112 S HA 0.410 4.880 4.470 -0.000 0.000 0.193 112 S C 0.289 175.075 174.600 0.309 0.000 1.373 112 S CA -0.534 57.836 58.200 0.283 0.000 0.908 112 S CB -1.000 62.359 63.200 0.266 0.000 1.547 112 S HN 0.739 nan 8.310 nan 0.000 0.440 113 S N 0.861 116.687 115.700 0.209 0.000 2.632 113 S HA 0.407 4.877 4.470 -0.000 0.000 0.289 113 S C 1.095 175.709 174.600 0.023 0.000 1.115 113 S CA -0.404 57.829 58.200 0.056 0.000 0.889 113 S CB 1.135 64.346 63.200 0.019 0.000 1.116 113 S HN 0.447 nan 8.310 nan 0.000 0.486 114 T N -3.269 111.263 114.554 -0.037 0.000 3.051 114 T HA -0.046 4.304 4.350 -0.000 0.000 0.269 114 T C 1.022 175.722 174.700 0.000 0.000 1.127 114 T CA 0.835 62.916 62.100 -0.032 0.000 1.107 114 T CB -0.593 68.236 68.868 -0.065 0.000 0.898 114 T HN 0.625 nan 8.240 nan 0.000 0.517 115 c N 0.730 119.338 118.600 0.013 0.000 3.386 115 c HA 0.679 5.249 4.570 -0.000 0.000 0.279 115 c C 2.030 176.154 174.090 0.057 0.000 1.508 115 c CA -0.167 56.182 56.329 0.034 0.000 1.801 115 c CB -0.987 41.541 42.510 0.030 0.000 2.798 115 c HN 0.879 nan 8.230 nan 0.000 0.605 116 G N 1.526 110.371 108.800 0.075 0.000 2.184 116 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.264 116 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.264 116 G C 0.260 175.243 174.900 0.138 0.000 0.975 116 G CA 0.626 45.789 45.100 0.105 0.000 0.642 116 G HN 0.592 nan 8.290 nan 0.000 0.536 117 S N -0.148 115.628 115.700 0.127 0.000 2.560 117 S HA 0.382 4.852 4.470 -0.000 0.000 0.284 117 S C 0.046 174.813 174.600 0.278 0.000 1.327 117 S CA -0.209 58.088 58.200 0.162 0.000 1.055 117 S CB 0.715 63.974 63.200 0.099 0.000 0.868 117 S HN 0.592 nan 8.310 nan 0.000 0.506 118 Y N 4.291 124.689 120.300 0.163 0.000 2.304 118 Y HA 0.547 5.097 4.550 -0.000 0.000 0.327 118 Y C -0.468 175.578 175.900 0.245 0.000 1.209 118 Y CA -0.857 57.340 58.100 0.161 0.000 1.299 118 Y CB 0.386 38.872 38.460 0.044 0.000 1.249 118 Y HN 0.576 nan 8.280 nan 0.000 0.519 119 F N 3.224 122.528 119.950 -1.077 0.000 2.678 119 F HA 0.441 4.968 4.527 -0.000 0.000 0.308 119 F C -1.957 173.159 175.800 -1.139 0.000 1.118 119 F CA -1.488 55.938 58.000 -0.958 0.000 0.959 119 F CB 1.278 39.943 39.000 -0.560 0.000 1.305 119 F HN 0.423 nan 8.300 nan 0.000 0.443 120 N N 3.108 121.258 118.700 -0.918 0.000 2.690 120 N HA 0.399 5.139 4.740 -0.000 0.000 0.255 120 N C -2.504 172.696 175.510 -0.516 0.000 1.195 120 N CA -2.203 50.446 53.050 -0.669 0.000 0.790 120 N CB 1.766 40.039 38.487 -0.356 0.000 1.216 120 N HN 0.276 nan 8.380 nan 0.000 0.528 121 P HA -0.090 nan 4.420 nan 0.000 0.216 121 P C 1.343 178.531 177.300 -0.186 0.000 1.157 121 P CA 1.441 64.424 63.100 -0.195 0.000 0.880 121 P CB 0.165 31.853 31.700 -0.020 0.000 0.791 122 G N -0.207 108.489 108.800 -0.174 0.000 2.469 122 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 122 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 122 G C 1.503 176.322 174.900 -0.135 0.000 1.150 122 G CA 1.491 46.509 45.100 -0.136 0.000 0.763 122 G HN 0.462 nan 8.290 nan 0.000 0.561 123 S N -1.114 114.500 115.700 -0.143 0.000 2.605 123 S HA 0.296 4.765 4.470 -0.000 0.000 0.217 123 S C 1.116 175.653 174.600 -0.105 0.000 0.958 123 S CA 0.216 58.352 58.200 -0.107 0.000 0.919 123 S CB 0.258 63.418 63.200 -0.068 0.000 0.780 123 S HN 0.220 nan 8.310 nan 0.000 0.507 124 R N 0.494 120.893 120.500 -0.168 0.000 3.525 124 R HA -0.146 4.194 4.340 -0.000 0.000 0.276 124 R C -1.315 175.047 176.300 0.104 0.000 1.116 124 R CA 0.869 56.878 56.100 -0.152 0.000 0.745 124 R CB -2.727 27.466 30.300 -0.179 0.000 1.185 124 R HN 0.658 nan 8.270 nan 0.000 0.454 125 D N -0.602 119.735 120.400 -0.106 0.000 2.381 125 D HA 0.396 5.036 4.640 -0.000 0.000 0.235 125 D C -0.760 175.421 176.300 -0.198 0.000 1.068 125 D CA -0.302 53.714 54.000 0.027 0.000 0.832 125 D CB 0.431 41.258 40.800 0.045 0.000 1.101 125 D HN 0.051 nan 8.370 nan 0.000 0.515 126 F N 4.869 124.978 119.950 0.266 0.000 2.531 126 F HA 0.288 4.815 4.527 -0.000 0.000 0.333 126 F C -1.455 174.447 175.800 0.170 0.000 1.292 126 F CA -1.715 56.418 58.000 0.221 0.000 1.184 126 F CB 1.505 40.662 39.000 0.262 0.000 1.426 126 F HN 0.297 nan 8.300 nan 0.000 0.559 127 P HA -0.227 nan 4.420 nan 0.000 0.220 127 P C 1.346 178.737 177.300 0.152 0.000 1.144 127 P CA 1.315 64.542 63.100 0.211 0.000 0.800 127 P CB 0.291 32.120 31.700 0.215 0.000 0.772 128 A N -0.756 122.148 122.820 0.139 0.000 2.167 128 A HA 0.042 4.362 4.320 -0.000 0.000 0.214 128 A C 2.232 179.812 177.584 -0.007 0.000 1.151 128 A CA 0.781 52.859 52.037 0.068 0.000 0.735 128 A CB -1.028 18.005 19.000 0.056 0.000 0.802 128 A HN 0.085 nan 8.150 nan 0.000 0.467 129 V N 0.488 120.370 119.914 -0.054 0.000 2.326 129 V HA 0.042 4.162 4.120 -0.000 0.000 0.238 129 V C -1.632 174.410 176.094 -0.086 0.000 1.038 129 V CA 1.197 63.370 62.300 -0.212 0.000 1.032 129 V CB -0.774 30.660 31.823 -0.649 0.000 0.675 129 V HN 0.455 nan 8.190 nan 0.000 0.467 130 P HA 0.408 nan 4.420 nan 0.000 0.296 130 P C -1.865 175.549 177.300 0.191 0.000 1.310 130 P CA -0.296 62.861 63.100 0.095 0.000 0.900 130 P CB 1.411 33.210 31.700 0.165 0.000 1.111 131 Y N -0.113 120.391 120.300 0.340 0.000 2.485 131 Y HA 0.564 5.114 4.550 -0.000 0.000 0.345 131 Y C 0.968 177.141 175.900 0.454 0.000 0.998 131 Y CA -0.616 57.708 58.100 0.373 0.000 1.059 131 Y CB 2.295 40.937 38.460 0.304 0.000 1.234 131 Y HN 0.513 nan 8.280 nan 0.000 0.461 132 S N -0.766 115.302 115.700 0.612 0.000 2.806 132 S HA 0.584 5.054 4.470 -0.000 0.000 0.306 132 S C 1.033 175.939 174.600 0.511 0.000 1.167 132 S CA -0.259 58.238 58.200 0.495 0.000 0.847 132 S CB 1.188 64.618 63.200 0.383 0.000 1.216 132 S HN 0.813 nan 8.310 nan 0.000 0.532 133 G N -0.207 108.739 108.800 0.243 0.000 2.485 133 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.221 133 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.221 133 G C 0.737 175.703 174.900 0.109 0.000 1.115 133 G CA 0.558 45.723 45.100 0.108 0.000 0.751 133 G HN 0.772 nan 8.290 nan 0.000 0.567 134 W N 0.686 122.101 121.300 0.192 0.000 2.699 134 W HA 0.165 4.825 4.660 0.000 0.000 0.249 134 W C 1.071 177.637 176.519 0.077 0.000 1.280 134 W CA 0.164 57.576 57.345 0.111 0.000 1.345 134 W CB 0.427 29.919 29.460 0.054 0.000 1.128 134 W HN 0.100 nan 8.180 nan 0.000 0.642 135 D N -1.118 119.427 120.400 0.242 0.000 2.368 135 D HA 0.121 4.761 4.640 -0.000 0.000 0.218 135 D C -0.386 175.583 176.300 -0.551 0.000 1.112 135 D CA 0.348 54.270 54.000 -0.129 0.000 0.834 135 D CB -0.137 40.522 40.800 -0.235 0.000 0.953 135 D HN 0.025 nan 8.370 nan 0.000 0.505 136 F N 0.075 120.041 119.950 0.027 0.000 2.598 136 F HA 0.321 4.848 4.527 0.000 0.000 0.327 136 F C 1.323 177.138 175.800 0.025 0.000 1.057 136 F CA -1.075 56.923 58.000 -0.004 0.000 0.957 136 F CB 0.942 39.942 39.000 0.001 0.000 1.278 136 F HN -0.381 nan 8.300 nan 0.000 0.484 137 N N 0.796 119.623 118.700 0.211 0.000 2.362 137 N HA -0.032 4.708 4.740 -0.000 0.000 0.204 137 N C 0.742 176.323 175.510 0.118 0.000 1.166 137 N CA 0.330 53.464 53.050 0.141 0.000 0.831 137 N CB -0.283 38.281 38.487 0.128 0.000 1.008 137 N HN 0.549 nan 8.380 nan 0.000 0.472 138 D N 0.275 120.748 120.400 0.122 0.000 2.149 138 D HA -0.141 4.498 4.640 -0.000 0.000 0.194 138 D C 1.704 178.030 176.300 0.043 0.000 1.001 138 D CA 1.188 55.224 54.000 0.060 0.000 0.849 138 D CB -0.083 40.734 40.800 0.028 0.000 0.939 138 D HN 0.361 nan 8.370 nan 0.000 0.449 139 G N -0.002 108.829 108.800 0.051 0.000 2.777 139 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.211 139 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.211 139 G C 1.541 176.473 174.900 0.053 0.000 1.149 139 G CA 0.027 45.152 45.100 0.042 0.000 0.785 139 G HN 0.196 nan 8.290 nan 0.000 0.536 140 K N -0.453 119.988 120.400 0.068 0.000 2.128 140 K HA 0.063 4.382 4.320 -0.000 0.000 0.202 140 K C 1.025 177.667 176.600 0.071 0.000 1.050 140 K CA -0.105 56.226 56.287 0.074 0.000 0.966 140 K CB -0.115 32.442 32.500 0.095 0.000 0.759 140 K HN 0.216 nan 8.250 nan 0.000 0.454 141 c N 2.557 121.197 118.600 0.066 0.000 2.611 141 c HA 0.069 4.639 4.570 -0.000 0.000 0.416 141 c C 0.727 174.838 174.090 0.035 0.000 1.366 141 c CA 0.131 56.490 56.329 0.051 0.000 1.761 141 c CB -0.211 42.322 42.510 0.038 0.000 2.619 141 c HN 0.415 nan 8.230 nan 0.000 0.606 142 K N 2.625 123.043 120.400 0.030 0.000 2.374 142 K HA 0.139 4.459 4.320 -0.000 0.000 0.202 142 K C 0.842 177.447 176.600 0.008 0.000 1.040 142 K CA 0.115 56.414 56.287 0.021 0.000 1.085 142 K CB 0.306 32.822 32.500 0.026 0.000 0.873 142 K HN 0.880 nan 8.250 nan 0.000 0.539 143 T N -2.624 111.931 114.554 0.001 0.000 2.868 143 T HA 0.218 4.568 4.350 -0.000 0.000 0.292 143 T C 1.484 176.179 174.700 -0.007 0.000 1.028 143 T CA -0.351 61.744 62.100 -0.008 0.000 1.059 143 T CB 1.653 70.509 68.868 -0.020 0.000 0.991 143 T HN 0.158 nan 8.240 nan 0.000 0.531 144 G N 0.357 109.151 108.800 -0.009 0.000 2.471 144 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.219 144 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.219 144 G C 1.617 176.509 174.900 -0.013 0.000 1.125 144 G CA 0.683 45.777 45.100 -0.009 0.000 0.775 144 G HN 0.943 nan 8.290 nan 0.000 0.548 145 S N -1.303 114.387 115.700 -0.016 0.000 2.503 145 S HA 0.375 4.845 4.470 -0.000 0.000 0.215 145 S C 1.948 176.535 174.600 -0.022 0.000 1.003 145 S CA 1.018 59.206 58.200 -0.020 0.000 0.910 145 S CB 0.174 63.360 63.200 -0.023 0.000 0.790 145 S HN 1.437 nan 8.310 nan 0.000 0.514 146 G N 0.790 109.579 108.800 -0.019 0.000 2.199 146 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.254 146 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.254 146 G C -0.360 174.527 174.900 -0.023 0.000 0.982 146 G CA 0.301 45.391 45.100 -0.016 0.000 0.632 146 G HN 0.571 nan 8.290 nan 0.000 0.529 147 D N -0.197 120.183 120.400 -0.033 0.000 2.384 147 D HA 0.596 5.236 4.640 -0.000 0.000 0.250 147 D C 0.947 177.212 176.300 -0.058 0.000 1.029 147 D CA -0.665 53.306 54.000 -0.047 0.000 0.990 147 D CB 0.890 41.660 40.800 -0.050 0.000 1.175 147 D HN 0.226 nan 8.370 nan 0.000 0.532 148 I N 1.183 121.705 120.570 -0.081 0.000 2.533 148 I HA -0.001 4.169 4.170 -0.000 0.000 0.284 148 I C 1.186 177.248 176.117 -0.092 0.000 1.109 148 I CA 0.602 61.824 61.300 -0.129 0.000 1.412 148 I CB 0.418 38.297 38.000 -0.201 0.000 1.396 148 I HN 0.329 nan 8.210 nan 0.000 0.543 149 E N 3.962 124.107 120.200 -0.092 0.000 2.474 149 E HA 0.148 4.498 4.350 -0.000 0.000 0.215 149 E C -0.039 176.557 176.600 -0.008 0.000 0.867 149 E CA -0.069 56.312 56.400 -0.031 0.000 1.135 149 E CB 0.656 30.342 29.700 -0.023 0.000 1.147 149 E HN 0.613 nan 8.360 nan 0.000 0.534 150 N N -0.310 118.349 118.700 -0.068 0.000 2.500 150 N HA 0.157 4.897 4.740 -0.000 0.000 0.291 150 N C -0.859 174.601 175.510 -0.085 0.000 1.092 150 N CA -0.231 52.813 53.050 -0.010 0.000 0.890 150 N CB 0.774 39.257 38.487 -0.006 0.000 1.466 150 N HN -0.099 nan 8.380 nan 0.000 0.507 151 Y N 1.541 121.832 120.300 -0.015 0.000 2.578 151 Y HA 0.088 4.637 4.550 -0.001 0.000 0.297 151 Y C 1.195 177.078 175.900 -0.029 0.000 1.176 151 Y CA 0.628 58.712 58.100 -0.027 0.000 1.315 151 Y CB -0.058 38.383 38.460 -0.031 0.000 1.031 151 Y HN 0.640 nan 8.280 nan 0.000 0.524 152 N N -0.515 118.230 118.700 0.075 0.000 2.463 152 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 152 N C -0.155 175.360 175.510 0.009 0.000 1.078 152 N CA 0.368 53.443 53.050 0.042 0.000 0.902 152 N CB 0.204 38.713 38.487 0.036 0.000 0.970 152 N HN 0.102 nan 8.380 nan 0.000 0.451 153 D N 0.158 120.546 120.400 -0.020 0.000 2.473 153 D HA 0.299 4.939 4.640 -0.000 0.000 0.226 153 D C 0.671 176.931 176.300 -0.067 0.000 1.089 153 D CA -0.566 53.416 54.000 -0.029 0.000 0.883 153 D CB 0.800 41.581 40.800 -0.030 0.000 1.029 153 D HN 0.091 nan 8.370 nan 0.000 0.517 154 A N 2.934 125.724 122.820 -0.051 0.000 2.032 154 A HA -0.169 4.151 4.320 -0.000 0.000 0.221 154 A C 1.993 179.469 177.584 -0.181 0.000 1.165 154 A CA 1.762 53.729 52.037 -0.117 0.000 0.645 154 A CB -0.457 18.500 19.000 -0.071 0.000 0.807 154 A HN 0.581 nan 8.150 nan 0.000 0.453 155 T N 0.280 114.824 114.554 -0.017 0.000 2.732 155 T HA -0.162 4.188 4.350 -0.000 0.000 0.261 155 T C 2.141 176.850 174.700 0.014 0.000 1.040 155 T CA 1.609 63.775 62.100 0.111 0.000 1.145 155 T CB -0.323 68.678 68.868 0.222 0.000 0.866 155 T HN 0.877 nan 8.240 nan 0.000 0.427 156 Q N 1.031 120.814 119.800 -0.028 0.000 2.226 156 Q HA -0.045 4.295 4.340 -0.000 0.000 0.204 156 Q C 2.087 178.011 176.000 -0.127 0.000 0.975 156 Q CA 1.164 56.934 55.803 -0.055 0.000 0.866 156 Q CB -0.689 28.008 28.738 -0.069 0.000 0.915 156 Q HN 0.308 nan 8.270 nan 0.000 0.440 157 V N 0.776 120.560 119.914 -0.217 0.000 2.594 157 V HA -0.204 3.916 4.120 -0.000 0.000 0.253 157 V C 1.999 178.005 176.094 -0.146 0.000 1.069 157 V CA 2.039 64.180 62.300 -0.264 0.000 1.082 157 V CB -0.421 31.188 31.823 -0.357 0.000 0.680 157 V HN 0.296 nan 8.190 nan 0.000 0.469 158 R N -0.546 119.801 120.500 -0.255 0.000 2.195 158 R HA 0.092 4.432 4.340 -0.000 0.000 0.197 158 R C 1.541 177.821 176.300 -0.034 0.000 0.990 158 R CA 0.637 56.560 56.100 -0.295 0.000 1.048 158 R CB -0.098 29.595 30.300 -1.012 0.000 0.997 158 R HN 0.412 nan 8.270 nan 0.000 0.502 159 D N -1.143 119.290 120.400 0.056 0.000 2.360 159 D HA 0.109 4.748 4.640 -0.000 0.000 0.210 159 D C -0.013 176.334 176.300 0.079 0.000 1.047 159 D CA 0.279 54.363 54.000 0.140 0.000 0.854 159 D CB 0.304 41.224 40.800 0.200 0.000 0.936 159 D HN 0.083 nan 8.370 nan 0.000 0.514 160 c N 0.567 119.184 118.600 0.029 0.000 2.423 160 c HA 0.485 5.054 4.570 -0.000 0.000 0.378 160 c C 0.700 174.785 174.090 -0.009 0.000 1.244 160 c CA -0.996 55.337 56.329 0.007 0.000 1.978 160 c CB 1.399 43.893 42.510 -0.026 0.000 2.252 160 c HN 0.050 nan 8.230 nan 0.000 0.526 161 R N 1.107 121.592 120.500 -0.025 0.000 2.316 161 R HA 0.297 4.637 4.340 -0.000 0.000 0.314 161 R C -0.586 175.645 176.300 -0.114 0.000 1.069 161 R CA -0.427 55.641 56.100 -0.053 0.000 0.959 161 R CB 0.255 30.528 30.300 -0.044 0.000 0.987 161 R HN 0.470 nan 8.270 nan 0.000 0.446 162 L N 4.945 126.051 121.223 -0.194 0.000 2.485 162 L HA -0.004 4.336 4.340 -0.000 0.000 0.279 162 L C 0.362 177.093 176.870 -0.233 0.000 1.124 162 L CA 0.766 55.435 54.840 -0.285 0.000 0.888 162 L CB 0.103 41.841 42.059 -0.535 0.000 1.217 162 L HN 0.933 nan 8.230 nan 0.000 0.464 163 T N 1.565 116.025 114.554 -0.156 0.000 3.795 163 T HA -0.184 4.166 4.350 -0.000 0.000 0.370 163 T C 1.109 175.725 174.700 -0.140 0.000 0.761 163 T CA 1.146 63.161 62.100 -0.140 0.000 1.923 163 T CB -2.461 66.306 68.868 -0.168 0.000 1.795 163 T HN 2.350 nan 8.240 nan 0.000 0.762 164 G N -1.143 107.588 108.800 -0.114 0.000 2.179 164 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.260 164 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.260 164 G C 0.021 174.870 174.900 -0.084 0.000 0.977 164 G CA -0.068 44.979 45.100 -0.089 0.000 0.641 164 G HN 0.970 nan 8.290 nan 0.000 0.533 165 L N 1.573 122.715 121.223 -0.134 0.000 2.433 165 L HA 0.368 4.708 4.340 -0.000 0.000 0.275 165 L C 1.362 178.224 176.870 -0.013 0.000 1.128 165 L CA -0.240 54.525 54.840 -0.124 0.000 0.875 165 L CB 0.391 42.209 42.059 -0.401 0.000 1.171 165 L HN 0.230 nan 8.230 nan 0.000 0.463 166 L N 3.771 125.028 121.223 0.056 0.000 2.667 166 L HA -0.104 4.236 4.340 -0.000 0.000 0.278 166 L C 0.370 177.403 176.870 0.272 0.000 1.217 166 L CA 0.293 55.196 54.840 0.105 0.000 0.935 166 L CB -0.138 41.908 42.059 -0.021 0.000 1.193 166 L HN 0.560 nan 8.230 nan 0.000 0.493 167 D N 3.917 124.477 120.400 0.265 0.000 2.313 167 D HA 0.354 4.993 4.640 -0.000 0.000 0.239 167 D C -0.263 176.155 176.300 0.197 0.000 1.142 167 D CA -0.309 53.820 54.000 0.216 0.000 0.847 167 D CB 0.820 41.700 40.800 0.134 0.000 1.082 167 D HN 0.236 nan 8.370 nan 0.000 0.480 168 L N 2.374 123.598 121.223 0.002 0.000 2.426 168 L HA 0.292 4.632 4.340 -0.000 0.000 0.271 168 L C 0.743 177.526 176.870 -0.144 0.000 1.169 168 L CA -0.631 54.021 54.840 -0.312 0.000 0.836 168 L CB 0.836 42.651 42.059 -0.406 0.000 1.112 168 L HN 0.475 nan 8.230 nan 0.000 0.465 169 A N 5.025 127.734 122.820 -0.185 0.000 2.915 169 A HA 0.272 4.592 4.320 -0.000 0.000 0.292 169 A C 1.092 178.663 177.584 -0.022 0.000 1.632 169 A CA -0.326 51.689 52.037 -0.037 0.000 1.337 169 A CB -0.578 18.418 19.000 -0.006 0.000 1.111 169 A HN 0.827 nan 8.150 nan 0.000 0.569 170 L N 0.976 122.210 121.223 0.017 0.000 2.633 170 L HA -0.140 4.200 4.340 -0.000 0.000 0.235 170 L C 2.483 179.378 176.870 0.042 0.000 1.163 170 L CA 1.319 56.177 54.840 0.031 0.000 0.859 170 L CB -0.348 41.754 42.059 0.072 0.000 0.973 170 L HN 0.921 nan 8.230 nan 0.000 0.451 171 E N 1.071 121.296 120.200 0.041 0.000 2.299 171 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 171 E C 0.389 176.999 176.600 0.018 0.000 0.998 171 E CA 0.115 56.524 56.400 0.015 0.000 0.851 171 E CB 0.171 29.866 29.700 -0.008 0.000 0.795 171 E HN 0.398 nan 8.360 nan 0.000 0.492 172 K N 1.524 121.944 120.400 0.035 0.000 2.322 172 K HA 0.015 4.335 4.320 -0.000 0.000 0.283 172 K C 0.069 176.706 176.600 0.062 0.000 1.042 172 K CA 0.166 56.489 56.287 0.059 0.000 0.958 172 K CB 1.174 33.733 32.500 0.098 0.000 0.984 172 K HN -0.019 nan 8.250 nan 0.000 0.473 173 D N 1.875 122.313 120.400 0.064 0.000 2.178 173 D HA -0.227 4.413 4.640 -0.000 0.000 0.201 173 D C 1.474 177.816 176.300 0.070 0.000 0.980 173 D CA 1.299 55.329 54.000 0.050 0.000 0.842 173 D CB 0.063 40.890 40.800 0.045 0.000 0.948 173 D HN 0.626 nan 8.370 nan 0.000 0.472 174 Y N 0.332 120.648 120.300 0.027 0.000 2.128 174 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 174 Y C 2.042 177.996 175.900 0.090 0.000 1.154 174 Y CA 1.502 59.633 58.100 0.052 0.000 1.149 174 Y CB -0.468 38.030 38.460 0.063 0.000 0.976 174 Y HN -0.077 nan 8.280 nan 0.000 0.505 175 V N 0.854 120.811 119.914 0.072 0.000 2.358 175 V HA -0.290 3.829 4.120 -0.000 0.000 0.246 175 V C 2.377 178.446 176.094 -0.040 0.000 1.047 175 V CA 2.244 64.564 62.300 0.033 0.000 1.035 175 V CB -0.657 31.169 31.823 0.006 0.000 0.658 175 V HN 0.333 nan 8.190 nan 0.000 0.452 176 R N 0.098 120.574 120.500 -0.040 0.000 2.105 176 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 176 R C 2.570 178.808 176.300 -0.103 0.000 1.135 176 R CA 1.757 57.822 56.100 -0.058 0.000 0.967 176 R CB -0.497 29.782 30.300 -0.035 0.000 0.861 176 R HN 0.446 nan 8.270 nan 0.000 0.442 177 S N 0.485 116.108 115.700 -0.128 0.000 2.383 177 S HA -0.050 4.420 4.470 -0.000 0.000 0.227 177 S C 1.663 176.139 174.600 -0.207 0.000 1.026 177 S CA 0.940 59.048 58.200 -0.154 0.000 0.981 177 S CB 0.049 63.165 63.200 -0.140 0.000 0.818 177 S HN 0.174 nan 8.310 nan 0.000 0.472 178 K N 1.373 121.602 120.400 -0.285 0.000 2.097 178 K HA 0.117 4.437 4.320 -0.000 0.000 0.205 178 K C 1.862 178.328 176.600 -0.224 0.000 1.050 178 K CA 0.851 56.987 56.287 -0.252 0.000 0.938 178 K CB -0.581 31.748 32.500 -0.284 0.000 0.718 178 K HN 0.411 nan 8.250 nan 0.000 0.442 179 I N 0.772 121.224 120.570 -0.197 0.000 2.286 179 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 179 I C 2.355 178.308 176.117 -0.275 0.000 1.104 179 I CA 0.961 62.089 61.300 -0.288 0.000 1.397 179 I CB -0.334 37.563 38.000 -0.171 0.000 1.072 179 I HN 0.009 nan 8.210 nan 0.000 0.417 180 A N 0.305 122.991 122.820 -0.224 0.000 1.933 180 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 180 A C 2.308 179.753 177.584 -0.231 0.000 1.175 180 A CA 1.854 53.750 52.037 -0.235 0.000 0.628 180 A CB -0.633 18.261 19.000 -0.177 0.000 0.814 180 A HN 0.498 nan 8.150 nan 0.000 0.444 181 E N -1.417 118.676 120.200 -0.178 0.000 2.085 181 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 181 E C 1.849 178.407 176.600 -0.069 0.000 0.994 181 E CA 1.679 58.006 56.400 -0.120 0.000 0.801 181 E CB -0.342 29.303 29.700 -0.091 0.000 0.743 181 E HN 0.732 nan 8.360 nan 0.000 0.453 182 Y N 0.785 120.920 120.300 -0.275 0.000 2.163 182 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 182 Y C 2.055 177.842 175.900 -0.188 0.000 1.136 182 Y CA 1.858 59.801 58.100 -0.260 0.000 1.147 182 Y CB -0.365 37.686 38.460 -0.682 0.000 0.987 182 Y HN 0.012 nan 8.280 nan 0.000 0.509 183 M N 0.127 119.391 119.600 -0.560 0.000 2.175 183 M HA -0.197 4.283 4.480 -0.000 0.000 0.264 183 M C 1.706 177.851 176.300 -0.258 0.000 1.063 183 M CA 1.495 56.417 55.300 -0.630 0.000 1.119 183 M CB -0.373 31.732 32.600 -0.826 0.000 1.377 183 M HN 0.218 nan 8.290 nan 0.000 0.415 184 N N -0.402 118.134 118.700 -0.273 0.000 2.244 184 N HA -0.169 4.571 4.740 -0.000 0.000 0.183 184 N C 1.603 177.083 175.510 -0.050 0.000 1.016 184 N CA 1.093 53.957 53.050 -0.311 0.000 0.866 184 N CB -0.526 37.566 38.487 -0.658 0.000 0.980 184 N HN 0.379 nan 8.380 nan 0.000 0.430 185 H N 1.140 120.135 119.070 -0.126 0.000 2.353 185 H HA 0.046 4.601 4.556 -0.000 0.000 0.300 185 H C 1.994 177.319 175.328 -0.004 0.000 1.090 185 H CA 1.317 57.346 56.048 -0.031 0.000 1.327 185 H CB -0.391 29.365 29.762 -0.010 0.000 1.383 185 H HN 0.128 nan 8.280 nan 0.000 0.508 186 L N -0.543 120.634 121.223 -0.077 0.000 2.044 186 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 186 L C 2.757 179.639 176.870 0.020 0.000 1.075 186 L CA 1.102 55.889 54.840 -0.089 0.000 0.747 186 L CB -0.357 41.632 42.059 -0.117 0.000 0.903 186 L HN 0.214 nan 8.230 nan 0.000 0.435 187 I N 0.049 120.657 120.570 0.064 0.000 2.163 187 I HA -0.309 3.860 4.170 -0.000 0.000 0.243 187 I C 2.034 178.221 176.117 0.117 0.000 1.085 187 I CA 1.286 62.617 61.300 0.050 0.000 1.347 187 I CB -0.406 37.644 38.000 0.083 0.000 1.044 187 I HN 0.272 nan 8.210 nan 0.000 0.408 188 D N 0.801 121.304 120.400 0.173 0.000 2.178 188 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 188 D C 2.197 178.628 176.300 0.219 0.000 0.980 188 D CA 1.198 55.327 54.000 0.215 0.000 0.842 188 D CB -0.163 40.781 40.800 0.239 0.000 0.948 188 D HN 0.365 nan 8.370 nan 0.000 0.472 189 I N -0.429 120.259 120.570 0.197 0.000 2.394 189 I HA -0.096 4.074 4.170 -0.000 0.000 0.251 189 I C 1.709 177.963 176.117 0.228 0.000 1.136 189 I CA 1.300 62.719 61.300 0.198 0.000 1.425 189 I CB 0.114 38.208 38.000 0.156 0.000 1.079 189 I HN 0.179 nan 8.210 nan 0.000 0.425 190 G N 0.293 109.200 108.800 0.177 0.000 2.370 190 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.174 190 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.174 190 G C 0.315 175.180 174.900 -0.058 0.000 1.002 190 G CA -0.078 45.123 45.100 0.167 0.000 0.730 190 G HN 0.186 nan 8.290 nan 0.000 0.497 191 V N -0.494 119.323 119.914 -0.161 0.000 2.872 191 V HA 0.671 4.791 4.120 -0.000 0.000 0.307 191 V C 1.307 177.133 176.094 -0.447 0.000 1.072 191 V CA 0.945 63.029 62.300 -0.360 0.000 1.148 191 V CB 1.381 32.933 31.823 -0.452 0.000 0.954 191 V HN 1.283 nan 8.190 nan 0.000 0.490 192 A N 2.793 125.261 122.820 -0.586 0.000 2.267 192 A HA 0.757 5.077 4.320 -0.000 0.000 0.213 192 A C 1.150 178.515 177.584 -0.364 0.000 1.192 192 A CA 0.663 52.346 52.037 -0.590 0.000 0.851 192 A CB -0.405 18.290 19.000 -0.508 0.000 0.881 192 A HN 1.995 nan 8.150 nan 0.000 0.494 193 G N -1.939 106.591 108.800 -0.451 0.000 2.340 193 G HA2 0.494 4.454 3.960 -0.000 0.000 0.299 193 G HA3 0.494 4.454 3.960 -0.000 0.000 0.299 193 G C -1.610 172.968 174.900 -0.538 0.000 1.291 193 G CA -0.667 44.339 45.100 -0.156 0.000 0.841 193 G HN 0.205 nan 8.290 nan 0.000 0.500 194 F N -0.581 119.360 119.950 -0.015 0.000 2.631 194 F HA 0.667 5.194 4.527 -0.000 0.000 0.308 194 F C 0.129 175.555 175.800 -0.623 0.000 1.097 194 F CA -0.890 56.987 58.000 -0.204 0.000 0.952 194 F CB 2.471 41.346 39.000 -0.209 0.000 1.307 194 F HN 0.449 nan 8.300 nan 0.000 0.450 195 R N 3.140 123.340 120.500 -0.501 0.000 2.207 195 R HA 0.515 4.854 4.340 -0.000 0.000 0.334 195 R C -1.491 174.626 176.300 -0.306 0.000 1.013 195 R CA -0.391 55.175 56.100 -0.890 0.000 0.858 195 R CB 0.497 30.388 30.300 -0.682 0.000 1.094 195 R HN 0.779 nan 8.270 nan 0.000 0.457 196 L N 5.279 126.348 121.223 -0.257 0.000 2.312 196 L HA 0.145 4.485 4.340 -0.000 0.000 0.287 196 L C 0.632 177.482 176.870 -0.032 0.000 1.091 196 L CA -0.338 54.437 54.840 -0.108 0.000 0.846 196 L CB 0.619 42.618 42.059 -0.101 0.000 1.219 196 L HN 0.589 nan 8.230 nan 0.000 0.439 197 D N 4.406 124.830 120.400 0.039 0.000 2.443 197 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 197 D C 0.759 177.130 176.300 0.117 0.000 1.136 197 D CA 0.631 54.701 54.000 0.116 0.000 0.879 197 D CB 1.209 42.140 40.800 0.217 0.000 1.195 197 D HN 0.733 nan 8.370 nan 0.000 0.443 198 A N 3.202 126.111 122.820 0.149 0.000 2.745 198 A HA -0.211 4.109 4.320 -0.000 0.000 0.296 198 A C 1.660 179.319 177.584 0.125 0.000 1.500 198 A CA 1.083 53.254 52.037 0.223 0.000 0.766 198 A CB -2.003 17.179 19.000 0.303 0.000 1.030 198 A HN 0.501 nan 8.150 nan 0.000 0.489 199 S N -0.580 115.105 115.700 -0.024 0.000 2.423 199 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 199 S C 1.845 176.263 174.600 -0.303 0.000 1.014 199 S CA 1.384 59.487 58.200 -0.161 0.000 0.965 199 S CB -0.125 62.895 63.200 -0.301 0.000 0.785 199 S HN 0.840 nan 8.310 nan 0.000 0.495 200 K N 0.755 120.948 120.400 -0.344 0.000 2.209 200 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 200 K C 0.897 177.279 176.600 -0.363 0.000 1.048 200 K CA 1.114 57.173 56.287 -0.380 0.000 0.940 200 K CB -0.127 32.130 32.500 -0.406 0.000 0.729 200 K HN 0.470 nan 8.250 nan 0.000 0.451 201 H N -0.406 118.632 119.070 -0.052 0.000 2.524 201 H HA 0.191 4.746 4.556 -0.000 0.000 0.280 201 H C -0.007 175.278 175.328 -0.073 0.000 1.018 201 H CA 0.296 56.305 56.048 -0.065 0.000 1.165 201 H CB 0.075 29.834 29.762 -0.006 0.000 1.411 201 H HN 0.166 nan 8.280 nan 0.000 0.569 202 M N -0.263 119.349 119.600 0.019 0.000 2.464 202 M HA 0.184 4.664 4.480 -0.000 0.000 0.308 202 M C -1.059 175.291 176.300 0.084 0.000 1.127 202 M CA -0.832 54.508 55.300 0.065 0.000 0.913 202 M CB 2.446 35.126 32.600 0.132 0.000 1.689 202 M HN 0.004 nan 8.290 nan 0.000 0.445 203 W N 2.674 124.041 121.300 0.111 0.000 2.253 203 W HA 0.217 4.876 4.660 -0.000 0.000 0.322 203 W C -1.747 174.785 176.519 0.022 0.000 1.342 203 W CA -0.883 56.490 57.345 0.046 0.000 1.218 203 W CB -0.134 29.330 29.460 0.007 0.000 1.205 203 W HN 0.489 nan 8.180 nan 0.000 0.551 204 P HA -0.226 nan 4.420 nan 0.000 0.216 204 P C 1.720 179.060 177.300 0.066 0.000 1.154 204 P CA 2.560 65.619 63.100 -0.069 0.000 0.865 204 P CB 0.067 31.555 31.700 -0.354 0.000 0.789 205 G N -0.639 108.218 108.800 0.096 0.000 2.408 205 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 205 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 205 G C 1.262 176.202 174.900 0.068 0.000 1.150 205 G CA 0.770 45.904 45.100 0.056 0.000 0.776 205 G HN 0.182 nan 8.290 nan 0.000 0.542 206 D N 0.559 121.037 120.400 0.129 0.000 2.117 206 D HA -0.029 4.611 4.640 -0.000 0.000 0.198 206 D C 2.572 178.919 176.300 0.079 0.000 0.982 206 D CA 0.319 54.383 54.000 0.107 0.000 0.828 206 D CB -0.121 40.784 40.800 0.175 0.000 0.967 206 D HN 0.343 nan 8.370 nan 0.000 0.464 207 I N 0.680 121.314 120.570 0.108 0.000 2.163 207 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 207 I C 2.337 178.474 176.117 0.034 0.000 1.085 207 I CA 1.062 62.406 61.300 0.073 0.000 1.347 207 I CB -0.117 37.962 38.000 0.131 0.000 1.044 207 I HN -0.066 nan 8.210 nan 0.000 0.408 208 K N 1.510 121.938 120.400 0.046 0.000 2.063 208 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 208 K C 2.070 178.673 176.600 0.004 0.000 1.048 208 K CA 1.633 57.935 56.287 0.024 0.000 0.928 208 K CB -0.263 32.256 32.500 0.032 0.000 0.713 208 K HN 0.288 nan 8.250 nan 0.000 0.442 209 A N 0.492 123.316 122.820 0.007 0.000 1.933 209 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 209 A C 2.161 179.731 177.584 -0.023 0.000 1.175 209 A CA 1.655 53.688 52.037 -0.006 0.000 0.628 209 A CB -0.573 18.426 19.000 -0.002 0.000 0.814 209 A HN 0.372 nan 8.150 nan 0.000 0.444 210 I N -0.467 120.083 120.570 -0.033 0.000 2.286 210 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 210 I C 2.200 178.263 176.117 -0.090 0.000 1.104 210 I CA 0.817 62.075 61.300 -0.071 0.000 1.397 210 I CB -0.226 37.721 38.000 -0.088 0.000 1.072 210 I HN 0.262 nan 8.210 nan 0.000 0.417 211 L N 0.214 121.392 121.223 -0.074 0.000 2.191 211 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 211 L C 1.808 178.648 176.870 -0.051 0.000 1.103 211 L CA 1.030 55.825 54.840 -0.075 0.000 0.769 211 L CB -0.708 41.317 42.059 -0.056 0.000 0.908 211 L HN 0.251 nan 8.230 nan 0.000 0.438 212 D N 0.387 120.766 120.400 -0.034 0.000 2.264 212 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 212 D C 1.846 178.137 176.300 -0.014 0.000 0.966 212 D CA 1.087 55.077 54.000 -0.017 0.000 0.864 212 D CB 0.082 40.876 40.800 -0.009 0.000 0.933 212 D HN 0.266 nan 8.370 nan 0.000 0.499 213 K N -0.502 119.877 120.400 -0.035 0.000 2.404 213 K HA 0.103 4.422 4.320 -0.000 0.000 0.194 213 K C -0.065 176.508 176.600 -0.045 0.000 1.023 213 K CA -0.320 55.949 56.287 -0.031 0.000 1.094 213 K CB 0.636 33.101 32.500 -0.058 0.000 0.841 213 K HN -0.038 nan 8.250 nan 0.000 0.523 214 L N 1.411 122.600 121.223 -0.057 0.000 2.371 214 L HA 0.141 4.481 4.340 -0.000 0.000 0.272 214 L C 0.379 177.283 176.870 0.057 0.000 1.124 214 L CA 0.021 54.813 54.840 -0.079 0.000 0.816 214 L CB 0.387 42.399 42.059 -0.079 0.000 1.129 214 L HN 0.185 nan 8.230 nan 0.000 0.448 215 H N 1.245 120.310 119.070 -0.008 0.000 2.597 215 H HA 0.214 4.770 4.556 -0.000 0.000 0.370 215 H C -0.029 175.297 175.328 -0.003 0.000 1.281 215 H CA -0.685 55.363 56.048 0.000 0.000 1.422 215 H CB 0.710 30.480 29.762 0.013 0.000 1.524 215 H HN 0.601 nan 8.280 nan 0.000 0.607 216 N N 0.078 118.858 118.700 0.133 0.000 2.381 216 N HA 0.117 4.857 4.740 -0.000 0.000 0.254 216 N C -0.379 175.155 175.510 0.041 0.000 1.264 216 N CA -0.643 52.439 53.050 0.053 0.000 0.942 216 N CB 0.762 39.269 38.487 0.033 0.000 1.190 216 N HN 0.187 nan 8.380 nan 0.000 0.495 217 L N 1.130 122.323 121.223 -0.050 0.000 2.467 217 L HA 0.016 4.356 4.340 -0.000 0.000 0.270 217 L C 0.728 177.679 176.870 0.134 0.000 1.205 217 L CA -0.069 54.695 54.840 -0.127 0.000 0.828 217 L CB -0.024 41.634 42.059 -0.668 0.000 1.101 217 L HN 0.606 nan 8.230 nan 0.000 0.479 218 N N 0.318 119.186 118.700 0.281 0.000 2.386 218 N HA -0.101 4.639 4.740 -0.000 0.000 0.273 218 N C 1.123 176.845 175.510 0.355 0.000 1.331 218 N CA 0.182 53.435 53.050 0.338 0.000 0.891 218 N CB 0.599 39.359 38.487 0.455 0.000 1.139 218 N HN 0.620 nan 8.380 nan 0.000 0.487 219 S N 2.465 118.266 115.700 0.169 0.000 2.537 219 S HA -0.099 4.370 4.470 -0.000 0.000 0.240 219 S C 1.222 175.830 174.600 0.014 0.000 0.981 219 S CA 0.378 58.642 58.200 0.106 0.000 0.948 219 S CB -0.068 63.158 63.200 0.043 0.000 0.759 219 S HN 0.627 nan 8.310 nan 0.000 0.531 220 N N 0.056 118.708 118.700 -0.080 0.000 2.409 220 N HA 0.031 4.771 4.740 -0.000 0.000 0.179 220 N C 0.682 175.964 175.510 -0.380 0.000 1.032 220 N CA 0.932 53.786 53.050 -0.326 0.000 0.898 220 N CB -0.049 38.062 38.487 -0.627 0.000 0.971 220 N HN 0.621 nan 8.380 nan 0.000 0.441 221 W N -0.544 120.680 121.300 -0.126 0.000 3.097 221 W HA 0.281 4.941 4.660 -0.000 0.000 0.245 221 W C -0.156 176.047 176.519 -0.526 0.000 1.120 221 W CA -0.183 56.925 57.345 -0.395 0.000 1.468 221 W CB 0.040 29.099 29.460 -0.669 0.000 0.851 221 W HN -0.187 nan 8.180 nan 0.000 0.692 222 F N 1.977 122.045 119.950 0.196 0.000 2.492 222 F HA 0.462 4.989 4.527 -0.000 0.000 0.327 222 F C -1.688 174.147 175.800 0.058 0.000 1.079 222 F CA -2.754 55.308 58.000 0.103 0.000 0.967 222 F CB 0.031 39.080 39.000 0.082 0.000 1.169 222 F HN -0.436 nan 8.300 nan 0.000 0.472 223 P HA 0.120 nan 4.420 nan 0.000 0.269 223 P C -0.688 176.681 177.300 0.115 0.000 1.215 223 P CA -0.334 62.840 63.100 0.122 0.000 0.780 223 P CB 0.492 32.247 31.700 0.092 0.000 0.898 224 A N 1.454 124.318 122.820 0.072 0.000 2.531 224 A HA 0.393 4.713 4.320 -0.000 0.000 0.236 224 A C 1.510 179.123 177.584 0.048 0.000 1.062 224 A CA 0.770 52.840 52.037 0.054 0.000 0.760 224 A CB -1.415 17.604 19.000 0.032 0.000 0.995 224 A HN 0.932 nan 8.150 nan 0.000 0.501 225 G N 1.180 110.003 108.800 0.039 0.000 2.179 225 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 225 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 225 G C 0.441 175.357 174.900 0.026 0.000 0.977 225 G CA 0.397 45.514 45.100 0.029 0.000 0.641 225 G HN 1.263 nan 8.290 nan 0.000 0.533 226 S N 1.313 117.033 115.700 0.033 0.000 2.488 226 S HA 0.397 4.867 4.470 -0.000 0.000 0.278 226 S C 0.549 175.124 174.600 -0.041 0.000 1.259 226 S CA 0.098 58.300 58.200 0.004 0.000 1.061 226 S CB 0.993 64.204 63.200 0.018 0.000 0.910 226 S HN 0.450 nan 8.310 nan 0.000 0.491 227 K N 4.096 124.474 120.400 -0.036 0.000 2.143 227 K HA 0.346 4.666 4.320 -0.000 0.000 0.272 227 K C -2.480 174.090 176.600 -0.049 0.000 1.001 227 K CA -2.160 54.106 56.287 -0.035 0.000 0.915 227 K CB 0.590 33.075 32.500 -0.026 0.000 1.047 227 K HN 0.321 nan 8.250 nan 0.000 0.458 228 P HA -0.082 nan 4.420 nan 0.000 0.268 228 P C -0.557 176.805 177.300 0.103 0.000 1.204 228 P CA -0.143 62.954 63.100 -0.004 0.000 0.768 228 P CB 0.286 32.035 31.700 0.082 0.000 0.842 229 F N 4.876 124.815 119.950 -0.018 0.000 2.543 229 F HA 0.183 4.710 4.527 -0.000 0.000 0.375 229 F C -0.169 175.697 175.800 0.110 0.000 1.075 229 F CA -0.530 57.489 58.000 0.033 0.000 1.225 229 F CB -0.121 38.937 39.000 0.095 0.000 1.099 229 F HN 0.120 nan 8.300 nan 0.000 0.561 230 I N 8.862 129.246 120.570 -0.309 0.000 2.418 230 I HA 0.179 4.349 4.170 -0.000 0.000 0.287 230 I C -1.168 174.690 176.117 -0.431 0.000 1.008 230 I CA -0.777 60.331 61.300 -0.320 0.000 1.104 230 I CB 1.039 38.951 38.000 -0.146 0.000 1.264 230 I HN 0.553 nan 8.210 nan 0.000 0.438 231 Y N 3.476 123.450 120.300 -0.544 0.000 2.332 231 Y HA 0.672 5.221 4.550 -0.000 0.000 0.326 231 Y C -0.508 175.302 175.900 -0.150 0.000 0.978 231 Y CA -1.225 56.656 58.100 -0.364 0.000 1.205 231 Y CB 0.674 38.870 38.460 -0.441 0.000 1.131 231 Y HN 0.493 nan 8.280 nan 0.000 0.462 232 Q N 2.760 122.567 119.800 0.012 0.000 2.267 232 Q HA 0.159 4.499 4.340 -0.000 0.000 0.255 232 Q C -0.436 175.577 176.000 0.021 0.000 0.923 232 Q CA -0.518 55.265 55.803 -0.034 0.000 0.925 232 Q CB 1.616 30.323 28.738 -0.051 0.000 1.195 232 Q HN 0.721 nan 8.270 nan 0.000 0.417 233 E N 3.092 123.304 120.200 0.020 0.000 2.029 233 E HA 0.152 4.502 4.350 -0.000 0.000 0.276 233 E C -1.324 175.313 176.600 0.061 0.000 1.163 233 E CA -0.196 56.286 56.400 0.138 0.000 0.909 233 E CB 0.404 30.198 29.700 0.157 0.000 1.046 233 E HN 0.311 nan 8.360 nan 0.000 0.406 234 V N 7.071 127.052 119.914 0.112 0.000 2.443 234 V HA 0.294 4.413 4.120 -0.000 0.000 0.293 234 V C 0.036 176.190 176.094 0.101 0.000 1.021 234 V CA -0.671 61.609 62.300 -0.033 0.000 0.848 234 V CB 1.482 33.194 31.823 -0.185 0.000 0.998 234 V HN 0.603 nan 8.190 nan 0.000 0.424 235 I N 4.499 125.012 120.570 -0.094 0.000 2.294 235 I HA 0.318 4.488 4.170 -0.000 0.000 0.295 235 I C -0.350 175.707 176.117 -0.100 0.000 1.098 235 I CA 0.360 61.521 61.300 -0.231 0.000 1.277 235 I CB 0.571 38.282 38.000 -0.483 0.000 1.434 235 I HN 0.583 nan 8.210 nan 0.000 0.498 236 D N 7.232 127.640 120.400 0.014 0.000 2.389 236 D HA 0.269 4.909 4.640 -0.000 0.000 0.256 236 D C 0.043 176.370 176.300 0.045 0.000 1.239 236 D CA -0.362 53.649 54.000 0.018 0.000 0.925 236 D CB 1.007 41.833 40.800 0.044 0.000 1.145 236 D HN 0.369 nan 8.370 nan 0.000 0.542 237 L N 2.779 124.012 121.223 0.016 0.000 2.653 237 L HA 0.489 4.829 4.340 -0.000 0.000 0.231 237 L C 1.167 178.061 176.870 0.040 0.000 1.153 237 L CA 0.039 54.902 54.840 0.039 0.000 0.933 237 L CB -0.521 41.551 42.059 0.022 0.000 1.175 237 L HN 0.643 nan 8.230 nan 0.000 0.473 238 G N -0.540 108.279 108.800 0.032 0.000 2.746 238 G HA2 0.097 4.057 3.960 -0.000 0.000 0.685 238 G HA3 0.097 4.057 3.960 -0.000 0.000 0.685 238 G C 0.532 175.440 174.900 0.013 0.000 1.350 238 G CA -0.394 44.724 45.100 0.029 0.000 0.837 238 G HN 0.502 nan 8.290 nan 0.000 0.564 239 G N -0.920 107.888 108.800 0.012 0.000 2.162 239 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.260 239 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.260 239 G C 0.226 175.133 174.900 0.012 0.000 0.976 239 G CA 1.718 46.823 45.100 0.008 0.000 0.655 239 G HN 1.196 nan 8.290 nan 0.000 0.533 240 E N -0.332 119.877 120.200 0.014 0.000 2.277 240 E HA 0.462 4.812 4.350 -0.000 0.000 0.266 240 E C -1.259 175.353 176.600 0.020 0.000 0.901 240 E CA -1.726 54.689 56.400 0.025 0.000 0.782 240 E CB 2.105 31.824 29.700 0.032 0.000 1.228 240 E HN 0.034 nan 8.360 nan 0.000 0.424 241 P HA -0.078 nan 4.420 nan 0.000 0.218 241 P C 0.262 177.564 177.300 0.003 0.000 1.149 241 P CA 1.077 64.183 63.100 0.011 0.000 0.817 241 P CB 0.337 32.043 31.700 0.010 0.000 0.785 242 I N 0.874 121.447 120.570 0.004 0.000 2.416 242 I HA 0.091 4.261 4.170 -0.000 0.000 0.288 242 I C 0.704 176.837 176.117 0.027 0.000 1.051 242 I CA -0.231 61.074 61.300 0.008 0.000 1.375 242 I CB 0.543 38.545 38.000 0.003 0.000 1.407 242 I HN -0.165 nan 8.210 nan 0.000 0.516 243 K N 4.033 124.447 120.400 0.023 0.000 2.203 243 K HA 0.330 4.650 4.320 -0.000 0.000 0.251 243 K C 0.871 177.498 176.600 0.045 0.000 0.944 243 K CA -0.628 55.667 56.287 0.012 0.000 0.829 243 K CB 1.728 34.207 32.500 -0.034 0.000 1.125 243 K HN 0.619 nan 8.250 nan 0.000 0.430 244 S N -0.043 115.678 115.700 0.034 0.000 2.442 244 S HA -0.196 4.274 4.470 -0.000 0.000 0.236 244 S C 1.815 176.299 174.600 -0.192 0.000 1.007 244 S CA 1.464 59.703 58.200 0.066 0.000 0.965 244 S CB -0.495 62.770 63.200 0.108 0.000 0.773 244 S HN 0.681 nan 8.310 nan 0.000 0.504 245 S N 2.090 117.468 115.700 -0.537 0.000 2.442 245 S HA -0.110 4.360 4.470 -0.000 0.000 0.236 245 S C 1.120 175.247 174.600 -0.787 0.000 1.007 245 S CA 0.952 58.307 58.200 -1.409 0.000 0.965 245 S CB -0.568 62.171 63.200 -0.769 0.000 0.773 245 S HN 0.442 nan 8.310 nan 0.000 0.504 246 D N 0.602 120.794 120.400 -0.347 0.000 2.350 246 D HA -0.031 4.609 4.640 -0.000 0.000 0.216 246 D C 0.385 176.435 176.300 -0.418 0.000 0.968 246 D CA 0.896 54.695 54.000 -0.335 0.000 0.894 246 D CB -0.250 40.324 40.800 -0.376 0.000 0.909 246 D HN 0.633 nan 8.370 nan 0.000 0.520 247 Y N -1.172 119.052 120.300 -0.126 0.000 2.507 247 Y HA 0.144 4.693 4.550 -0.000 0.000 0.254 247 Y C 1.318 177.356 175.900 0.230 0.000 1.171 247 Y CA -0.501 57.626 58.100 0.046 0.000 1.238 247 Y CB 0.043 38.537 38.460 0.058 0.000 1.148 247 Y HN -0.183 nan 8.280 nan 0.000 0.525 248 F N -0.137 119.935 119.950 0.203 0.000 2.269 248 F HA -0.037 4.490 4.527 -0.000 0.000 0.301 248 F C 2.261 178.220 175.800 0.265 0.000 1.082 248 F CA 0.939 59.061 58.000 0.204 0.000 1.360 248 F CB -1.134 37.929 39.000 0.105 0.000 1.041 248 F HN 0.125 nan 8.300 nan 0.000 0.512 249 G N -0.685 108.334 108.800 0.366 0.000 2.679 249 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.212 249 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.212 249 G C 1.440 176.485 174.900 0.243 0.000 1.137 249 G CA 0.428 45.700 45.100 0.286 0.000 0.787 249 G HN 0.265 nan 8.290 nan 0.000 0.534 250 N N -0.028 118.816 118.700 0.240 0.000 2.348 250 N HA 0.254 4.994 4.740 -0.000 0.000 0.183 250 N C 1.071 176.581 175.510 -0.000 0.000 1.094 250 N CA 0.943 54.058 53.050 0.108 0.000 0.885 250 N CB 1.442 40.010 38.487 0.135 0.000 1.065 250 N HN 0.417 nan 8.380 nan 0.000 0.472 251 G N -0.057 108.845 108.800 0.170 0.000 2.351 251 G HA2 0.111 4.071 3.960 -0.000 0.000 0.279 251 G HA3 0.111 4.071 3.960 -0.000 0.000 0.279 251 G C -1.329 173.809 174.900 0.397 0.000 1.297 251 G CA -0.908 44.225 45.100 0.056 0.000 0.886 251 G HN -0.047 nan 8.290 nan 0.000 0.493 252 R N -0.990 119.675 120.500 0.275 0.000 2.649 252 R HA 0.600 4.940 4.340 -0.000 0.000 0.270 252 R C 0.080 176.515 176.300 0.225 0.000 1.105 252 R CA 0.112 56.360 56.100 0.247 0.000 1.193 252 R CB 1.175 31.591 30.300 0.194 0.000 1.120 252 R HN 1.096 nan 8.270 nan 0.000 0.561 253 V N -2.741 117.315 119.914 0.236 0.000 3.007 253 V HA 0.420 4.540 4.120 -0.000 0.000 0.311 253 V C -0.037 176.173 176.094 0.195 0.000 1.120 253 V CA -1.110 61.327 62.300 0.229 0.000 0.980 253 V CB 1.839 33.842 31.823 0.300 0.000 1.033 253 V HN 0.917 nan 8.190 nan 0.000 0.429 254 T N -0.194 114.483 114.554 0.205 0.000 2.834 254 T HA 0.406 4.756 4.350 -0.000 0.000 0.298 254 T C -0.073 174.702 174.700 0.125 0.000 0.966 254 T CA 0.057 62.271 62.100 0.190 0.000 1.141 254 T CB 0.869 69.853 68.868 0.193 0.000 0.905 254 T HN 1.020 nan 8.240 nan 0.000 0.535 255 E N 2.602 122.776 120.200 -0.044 0.000 1.998 255 E HA 0.299 4.649 4.350 -0.000 0.000 0.257 255 E C -0.330 176.051 176.600 -0.365 0.000 1.038 255 E CA -1.123 55.193 56.400 -0.141 0.000 0.869 255 E CB -0.679 28.919 29.700 -0.170 0.000 1.135 255 E HN 0.683 nan 8.360 nan 0.000 0.430 256 F N 2.205 122.080 119.950 -0.126 0.000 2.546 256 F HA -0.001 4.526 4.527 0.000 0.000 0.298 256 F C 1.748 177.419 175.800 -0.215 0.000 1.120 256 F CA 0.734 58.648 58.000 -0.144 0.000 1.456 256 F CB 0.187 39.201 39.000 0.023 0.000 1.088 256 F HN 0.359 nan 8.300 nan 0.000 0.572 257 K N -1.073 119.234 120.400 -0.155 0.000 2.217 257 K HA -0.189 4.131 4.320 -0.000 0.000 0.202 257 K C 1.731 178.030 176.600 -0.502 0.000 1.051 257 K CA 0.895 57.039 56.287 -0.239 0.000 0.952 257 K CB -0.291 32.066 32.500 -0.239 0.000 0.736 257 K HN 0.263 nan 8.250 nan 0.000 0.453 258 Y N 1.174 120.920 120.300 -0.923 0.000 2.070 258 Y HA -0.216 4.334 4.550 -0.000 0.000 0.279 258 Y C 2.402 178.130 175.900 -0.286 0.000 1.134 258 Y CA 2.074 59.681 58.100 -0.822 0.000 1.113 258 Y CB -0.732 37.273 38.460 -0.758 0.000 0.981 258 Y HN 0.036 nan 8.280 nan 0.000 0.487 259 G N -0.650 108.074 108.800 -0.127 0.000 2.422 259 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.218 259 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.218 259 G C 1.759 176.632 174.900 -0.045 0.000 1.146 259 G CA 0.898 45.959 45.100 -0.066 0.000 0.769 259 G HN 0.626 nan 8.290 nan 0.000 0.547 260 A N 0.744 123.551 122.820 -0.021 0.000 1.877 260 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 260 A C 2.392 179.996 177.584 0.033 0.000 1.186 260 A CA 1.957 54.011 52.037 0.029 0.000 0.620 260 A CB -0.268 18.776 19.000 0.073 0.000 0.822 260 A HN 0.192 nan 8.150 nan 0.000 0.443 261 K N -0.701 119.752 120.400 0.087 0.000 2.062 261 K HA -0.000 4.319 4.320 -0.000 0.000 0.205 261 K C 1.847 178.451 176.600 0.006 0.000 1.051 261 K CA 0.931 57.333 56.287 0.191 0.000 0.941 261 K CB -0.915 31.863 32.500 0.464 0.000 0.719 261 K HN 0.410 nan 8.250 nan 0.000 0.440 262 L N 0.730 121.891 121.223 -0.103 0.000 2.083 262 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 262 L C 1.987 178.645 176.870 -0.354 0.000 1.083 262 L CA 2.045 56.631 54.840 -0.424 0.000 0.752 262 L CB -1.014 40.766 42.059 -0.465 0.000 0.899 262 L HN 0.235 nan 8.230 nan 0.000 0.433 263 G N -1.751 106.907 108.800 -0.237 0.000 2.402 263 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.216 263 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.216 263 G C 1.524 176.184 174.900 -0.400 0.000 1.162 263 G CA 1.268 46.198 45.100 -0.283 0.000 0.777 263 G HN 0.505 nan 8.290 nan 0.000 0.539 264 T N -0.851 113.528 114.554 -0.291 0.000 2.833 264 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 264 T C 2.265 176.859 174.700 -0.177 0.000 1.054 264 T CA 1.401 63.356 62.100 -0.242 0.000 1.135 264 T CB -0.365 68.536 68.868 0.054 0.000 0.869 264 T HN 0.012 nan 8.240 nan 0.000 0.466 265 V N 1.546 121.349 119.914 -0.185 0.000 2.323 265 V HA -0.049 4.071 4.120 -0.000 0.000 0.244 265 V C 2.729 178.644 176.094 -0.298 0.000 1.041 265 V CA 1.137 63.312 62.300 -0.209 0.000 1.025 265 V CB -0.514 31.107 31.823 -0.337 0.000 0.656 265 V HN 0.424 nan 8.190 nan 0.000 0.451 266 I N 0.055 120.400 120.570 -0.375 0.000 2.394 266 I HA -0.143 4.026 4.170 -0.000 0.000 0.251 266 I C 2.465 178.415 176.117 -0.279 0.000 1.136 266 I CA 1.513 62.602 61.300 -0.351 0.000 1.425 266 I CB -1.204 36.583 38.000 -0.355 0.000 1.079 266 I HN 0.313 nan 8.210 nan 0.000 0.425 267 R N 0.963 121.255 120.500 -0.347 0.000 2.276 267 R HA -0.000 4.339 4.340 -0.000 0.000 0.203 267 R C 0.289 176.513 176.300 -0.127 0.000 1.017 267 R CA 0.044 55.933 56.100 -0.352 0.000 1.010 267 R CB 0.047 29.806 30.300 -0.900 0.000 0.900 267 R HN 0.254 nan 8.270 nan 0.000 0.469 268 K N -0.567 119.769 120.400 -0.107 0.000 3.125 268 K HA -0.158 4.162 4.320 -0.000 0.000 0.268 268 K C -1.046 175.685 176.600 0.217 0.000 1.078 268 K CA 0.329 56.625 56.287 0.015 0.000 0.775 268 K CB -1.173 31.323 32.500 -0.008 0.000 1.253 268 K HN 0.132 nan 8.250 nan 0.000 0.486 269 W N 2.084 123.369 121.300 -0.025 0.000 2.202 269 W HA 0.099 4.760 4.660 0.000 0.000 0.332 269 W C 1.166 177.692 176.519 0.011 0.000 1.263 269 W CA 0.131 57.472 57.345 -0.006 0.000 1.223 269 W CB -0.307 29.153 29.460 -0.000 0.000 1.128 269 W HN 0.484 nan 8.180 nan 0.000 0.573 270 N N -0.414 118.394 118.700 0.180 0.000 2.710 270 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 270 N C 0.736 176.313 175.510 0.113 0.000 1.059 270 N CA 0.974 54.087 53.050 0.105 0.000 0.720 270 N CB -1.465 37.086 38.487 0.106 0.000 0.983 270 N HN 1.089 nan 8.380 nan 0.000 0.544 271 G N -2.096 106.768 108.800 0.106 0.000 2.155 271 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.257 271 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.257 271 G C -0.125 174.833 174.900 0.096 0.000 0.983 271 G CA 0.518 45.673 45.100 0.092 0.000 0.676 271 G HN 0.746 nan 8.290 nan 0.000 0.528 272 E N 0.574 120.839 120.200 0.108 0.000 2.390 272 E HA 0.426 4.776 4.350 -0.000 0.000 0.261 272 E C 0.529 177.023 176.600 -0.177 0.000 1.076 272 E CA 0.389 56.837 56.400 0.080 0.000 0.905 272 E CB 0.572 30.360 29.700 0.147 0.000 0.984 272 E HN 0.667 nan 8.360 nan 0.000 0.427 273 K N 1.256 121.368 120.400 -0.480 0.000 2.508 273 K HA 0.325 4.645 4.320 -0.000 0.000 0.260 273 K C 0.538 176.887 176.600 -0.418 0.000 0.949 273 K CA -0.811 55.172 56.287 -0.507 0.000 0.834 273 K CB 1.148 33.269 32.500 -0.631 0.000 1.365 273 K HN 0.316 nan 8.250 nan 0.000 0.437 274 M N 1.166 120.569 119.600 -0.329 0.000 2.267 274 M HA -0.172 4.307 4.480 -0.000 0.000 0.263 274 M C 1.868 178.134 176.300 -0.057 0.000 1.063 274 M CA 2.102 57.223 55.300 -0.299 0.000 1.090 274 M CB -0.383 32.008 32.600 -0.347 0.000 1.392 274 M HN 0.872 nan 8.290 nan 0.000 0.422 275 S N -0.223 115.449 115.700 -0.046 0.000 2.440 275 S HA -0.169 4.300 4.470 -0.000 0.000 0.238 275 S C 1.475 176.306 174.600 0.386 0.000 1.010 275 S CA 0.921 59.247 58.200 0.211 0.000 0.972 275 S CB -0.707 62.547 63.200 0.090 0.000 0.774 275 S HN 0.449 nan 8.310 nan 0.000 0.501 276 Y N 1.505 121.895 120.300 0.150 0.000 2.561 276 Y HA 0.344 4.894 4.550 -0.000 0.000 0.291 276 Y C 1.753 177.824 175.900 0.285 0.000 1.141 276 Y CA -0.809 57.405 58.100 0.190 0.000 1.303 276 Y CB -0.768 37.825 38.460 0.222 0.000 1.015 276 Y HN 0.306 nan 8.280 nan 0.000 0.547 277 L N -0.175 121.176 121.223 0.214 0.000 2.610 277 L HA -0.077 4.263 4.340 -0.000 0.000 0.232 277 L C 2.325 179.032 176.870 -0.271 0.000 1.149 277 L CA 0.484 55.258 54.840 -0.111 0.000 0.872 277 L CB -0.326 41.430 42.059 -0.505 0.000 0.992 277 L HN 0.084 nan 8.230 nan 0.000 0.447 278 K N 1.865 121.947 120.400 -0.530 0.000 2.074 278 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 278 K C 1.175 177.444 176.600 -0.551 0.000 1.048 278 K CA 1.925 57.468 56.287 -1.239 0.000 0.926 278 K CB 0.020 31.960 32.500 -0.933 0.000 0.713 278 K HN 0.441 nan 8.250 nan 0.000 0.444 279 N N -0.233 118.360 118.700 -0.178 0.000 2.376 279 N HA -0.077 4.663 4.740 -0.000 0.000 0.249 279 N C -0.552 174.966 175.510 0.013 0.000 1.140 279 N CA -0.453 52.551 53.050 -0.077 0.000 0.870 279 N CB -0.617 37.852 38.487 -0.030 0.000 1.124 279 N HN 0.263 nan 8.380 nan 0.000 0.505 280 W N 1.318 122.360 121.300 -0.430 0.000 2.314 280 W HA 0.276 4.936 4.660 -0.001 0.000 0.339 280 W C 0.596 176.712 176.519 -0.671 0.000 1.293 280 W CA 1.873 58.733 57.345 -0.809 0.000 1.288 280 W CB 0.402 29.306 29.460 -0.925 0.000 1.186 280 W HN 0.470 nan 8.180 nan 0.000 0.566 281 G N 3.788 111.804 108.800 -1.308 0.000 2.395 281 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.201 281 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.201 281 G C 0.289 174.701 174.900 -0.813 0.000 1.206 281 G CA 0.062 44.467 45.100 -1.158 0.000 1.210 281 G HN 0.451 nan 8.290 nan 0.000 0.557 282 E N 0.746 120.766 120.200 -0.299 0.000 2.209 282 E HA 0.045 4.395 4.350 -0.000 0.000 0.196 282 E C 2.498 178.982 176.600 -0.193 0.000 0.993 282 E CA 1.798 58.122 56.400 -0.127 0.000 0.819 282 E CB -0.549 29.158 29.700 0.012 0.000 0.745 282 E HN 0.825 nan 8.360 nan 0.000 0.477 283 G N -0.468 108.214 108.800 -0.198 0.000 2.470 283 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 283 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 283 G C 0.463 175.230 174.900 -0.222 0.000 1.121 283 G CA 0.337 45.346 45.100 -0.151 0.000 0.766 283 G HN 0.260 nan 8.290 nan 0.000 0.553 284 W N -0.057 120.809 121.300 -0.722 0.000 3.330 284 W HA 0.452 5.112 4.660 -0.000 0.000 0.348 284 W C 1.594 177.731 176.519 -0.638 0.000 1.205 284 W CA -0.324 56.531 57.345 -0.818 0.000 1.841 284 W CB 0.048 28.664 29.460 -1.407 0.000 1.084 284 W HN 0.293 nan 8.180 nan 0.000 0.665 285 G N -0.617 108.036 108.800 -0.244 0.000 2.141 285 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.242 285 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.242 285 G C 0.022 175.038 174.900 0.192 0.000 0.982 285 G CA -0.562 44.525 45.100 -0.022 0.000 0.662 285 G HN -0.014 nan 8.290 nan 0.000 0.527 286 F N 0.486 120.390 119.950 -0.077 0.000 2.378 286 F HA 0.601 5.128 4.527 -0.000 0.000 0.319 286 F C 1.463 177.315 175.800 0.087 0.000 1.155 286 F CA -1.363 56.600 58.000 -0.061 0.000 1.157 286 F CB 0.419 39.224 39.000 -0.326 0.000 1.252 286 F HN 0.334 nan 8.300 nan 0.000 0.550 287 V N -0.253 119.900 119.914 0.398 0.000 3.237 287 V HA 0.287 4.407 4.120 -0.000 0.000 0.305 287 V C -2.472 173.803 176.094 0.302 0.000 1.096 287 V CA -1.820 60.709 62.300 0.381 0.000 1.130 287 V CB -0.415 31.680 31.823 0.453 0.000 1.048 287 V HN 0.520 nan 8.190 nan 0.000 0.484 288 P HA 0.062 nan 4.420 nan 0.000 0.265 288 P C 0.963 178.207 177.300 -0.094 0.000 1.187 288 P CA 0.642 63.741 63.100 -0.001 0.000 0.766 288 P CB 0.656 32.251 31.700 -0.176 0.000 0.820 289 S N 2.309 117.930 115.700 -0.131 0.000 2.387 289 S HA -0.197 4.273 4.470 -0.000 0.000 0.230 289 S C 1.270 175.651 174.600 -0.366 0.000 1.035 289 S CA 1.944 59.843 58.200 -0.501 0.000 1.014 289 S CB -0.885 62.126 63.200 -0.315 0.000 0.836 289 S HN 0.630 nan 8.310 nan 0.000 0.466 290 D N -0.402 119.850 120.400 -0.247 0.000 2.363 290 D HA -0.004 4.636 4.640 -0.000 0.000 0.226 290 D C 1.261 177.430 176.300 -0.217 0.000 1.020 290 D CA 0.245 54.120 54.000 -0.208 0.000 0.892 290 D CB -0.214 40.468 40.800 -0.198 0.000 0.900 290 D HN 0.268 nan 8.370 nan 0.000 0.531 291 R N -0.164 120.176 120.500 -0.266 0.000 2.535 291 R HA 0.451 4.791 4.340 -0.000 0.000 0.323 291 R C -0.168 176.093 176.300 -0.065 0.000 0.979 291 R CA -0.218 55.748 56.100 -0.225 0.000 1.120 291 R CB 0.964 30.869 30.300 -0.658 0.000 1.306 291 R HN 0.170 nan 8.270 nan 0.000 0.540 292 A N 1.431 124.181 122.820 -0.116 0.000 2.317 292 A HA 0.538 4.858 4.320 -0.000 0.000 0.327 292 A C -0.661 176.894 177.584 -0.049 0.000 1.178 292 A CA -0.495 51.493 52.037 -0.082 0.000 0.817 292 A CB 1.080 19.949 19.000 -0.217 0.000 1.189 292 A HN 0.121 nan 8.150 nan 0.000 0.489 293 L N 5.128 126.355 121.223 0.006 0.000 2.295 293 L HA 0.571 4.911 4.340 -0.000 0.000 0.281 293 L C -0.310 176.553 176.870 -0.010 0.000 1.018 293 L CA -0.294 54.557 54.840 0.018 0.000 0.841 293 L CB 0.656 42.711 42.059 -0.006 0.000 1.218 293 L HN 0.674 nan 8.230 nan 0.000 0.424 294 V N 3.232 123.049 119.914 -0.161 0.000 2.975 294 V HA 0.831 4.951 4.120 -0.000 0.000 0.318 294 V C -0.651 175.352 176.094 -0.151 0.000 1.077 294 V CA -0.561 61.470 62.300 -0.449 0.000 1.000 294 V CB 1.842 33.035 31.823 -1.050 0.000 1.066 294 V HN 0.689 nan 8.190 nan 0.000 0.452 295 F N -0.901 118.830 119.950 -0.365 0.000 2.769 295 F HA 0.705 5.232 4.527 -0.000 0.000 0.313 295 F C -0.039 175.760 175.800 -0.001 0.000 1.146 295 F CA -0.892 57.007 58.000 -0.168 0.000 0.934 295 F CB 0.609 39.516 39.000 -0.154 0.000 1.283 295 F HN 0.246 nan 8.300 nan 0.000 0.443 296 V N 0.213 120.230 119.914 0.172 0.000 2.346 296 V HA 0.025 4.145 4.120 -0.000 0.000 0.244 296 V C 0.198 176.437 176.094 0.241 0.000 1.037 296 V CA 2.118 64.508 62.300 0.150 0.000 1.029 296 V CB -0.526 31.341 31.823 0.073 0.000 0.663 296 V HN 0.927 nan 8.190 nan 0.000 0.454 297 D N -0.664 119.974 120.400 0.396 0.000 2.570 297 D HA 0.294 4.934 4.640 -0.000 0.000 0.244 297 D C -1.049 175.468 176.300 0.362 0.000 1.178 297 D CA -0.628 53.606 54.000 0.389 0.000 0.881 297 D CB 1.828 42.808 40.800 0.301 0.000 1.453 297 D HN 0.275 nan 8.370 nan 0.000 0.447 298 N N -1.657 117.162 118.700 0.199 0.000 2.761 298 N HA 0.099 4.838 4.740 -0.000 0.000 0.283 298 N C 1.183 176.601 175.510 -0.154 0.000 1.377 298 N CA -0.504 52.520 53.050 -0.045 0.000 0.791 298 N CB 0.428 38.733 38.487 -0.303 0.000 1.540 298 N HN 0.612 nan 8.380 nan 0.000 0.539 299 H N -1.136 117.753 119.070 -0.302 0.000 2.457 299 H HA -0.064 4.492 4.556 -0.000 0.000 0.297 299 H C -0.208 174.724 175.328 -0.660 0.000 1.092 299 H CA 1.376 56.963 56.048 -0.768 0.000 1.309 299 H CB 0.039 29.104 29.762 -1.162 0.000 1.382 299 H HN 0.504 nan 8.280 nan 0.000 0.535 300 D N 1.450 121.306 120.400 -0.907 0.000 2.154 300 D HA -0.121 4.519 4.640 -0.000 0.000 0.211 300 D C 1.977 178.211 176.300 -0.109 0.000 0.977 300 D CA 1.359 55.069 54.000 -0.484 0.000 0.869 300 D CB -0.231 40.351 40.800 -0.364 0.000 1.022 300 D HN 0.563 nan 8.370 nan 0.000 0.461 301 N N 1.207 119.907 118.700 0.000 0.000 2.512 301 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 301 N C 1.471 177.061 175.510 0.132 0.000 1.073 301 N CA 0.699 53.821 53.050 0.120 0.000 0.911 301 N CB -0.738 37.874 38.487 0.209 0.000 0.964 301 N HN 0.375 nan 8.380 nan 0.000 0.447 302 Q N 0.567 120.413 119.800 0.076 0.000 2.436 302 Q HA -0.052 4.288 4.340 -0.000 0.000 0.209 302 Q C 0.650 176.809 176.000 0.265 0.000 0.965 302 Q CA 0.643 56.536 55.803 0.150 0.000 0.910 302 Q CB -0.124 28.683 28.738 0.116 0.000 0.980 302 Q HN 0.597 nan 8.270 nan 0.000 0.491 303 R N -0.859 119.742 120.500 0.168 0.000 2.690 303 R HA 0.434 4.774 4.340 -0.000 0.000 0.419 303 R C 0.482 176.977 176.300 0.325 0.000 1.090 303 R CA -0.029 56.224 56.100 0.255 0.000 1.064 303 R CB 0.200 30.440 30.300 -0.099 0.000 1.391 303 R HN 0.171 nan 8.270 nan 0.000 0.586 304 G N 1.105 110.073 108.800 0.279 0.000 2.203 304 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.263 304 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.263 304 G C 0.352 175.379 174.900 0.213 0.000 1.012 304 G CA 0.653 45.900 45.100 0.245 0.000 0.749 304 G HN 0.675 nan 8.290 nan 0.000 0.512 305 H N -0.352 118.788 119.070 0.117 0.000 2.586 305 H HA 0.351 4.907 4.556 0.000 0.000 0.273 305 H C 1.535 176.881 175.328 0.030 0.000 0.997 305 H CA 0.757 56.876 56.048 0.119 0.000 1.177 305 H CB 0.937 30.866 29.762 0.278 0.000 1.471 305 H HN 0.539 nan 8.280 nan 0.000 0.538 306 G N -0.201 108.655 108.800 0.093 0.000 3.105 306 G HA2 0.535 4.495 3.960 -0.000 0.000 0.277 306 G HA3 0.535 4.495 3.960 -0.000 0.000 0.277 306 G C -0.925 173.957 174.900 -0.031 0.000 1.375 306 G CA -0.241 44.851 45.100 -0.014 0.000 0.962 306 G HN 0.222 nan 8.290 nan 0.000 0.541 307 A N -1.789 120.946 122.820 -0.142 0.000 2.386 307 A HA 0.629 4.949 4.320 -0.000 0.000 0.248 307 A C 1.288 178.929 177.584 0.094 0.000 1.082 307 A CA 1.222 53.206 52.037 -0.088 0.000 0.789 307 A CB 0.255 19.104 19.000 -0.252 0.000 1.025 307 A HN 2.515 nan 8.150 nan 0.000 0.490 308 G N -0.096 108.757 108.800 0.088 0.000 2.541 308 G HA2 0.374 4.334 3.960 -0.000 0.000 0.201 308 G HA3 0.374 4.334 3.960 -0.000 0.000 0.201 308 G C 1.598 176.566 174.900 0.114 0.000 1.026 308 G CA 0.768 45.940 45.100 0.120 0.000 0.687 308 G HN 2.963 nan 8.290 nan 0.000 0.492 309 G N 0.024 108.891 108.800 0.112 0.000 2.542 309 G HA2 0.263 4.223 3.960 -0.000 0.000 0.235 309 G HA3 0.263 4.223 3.960 -0.000 0.000 0.235 309 G C 1.115 176.115 174.900 0.166 0.000 1.286 309 G CA 1.841 47.022 45.100 0.135 0.000 0.904 309 G HN 1.951 nan 8.290 nan 0.000 0.577 310 A N -0.285 122.673 122.820 0.229 0.000 2.238 310 A HA 0.446 4.766 4.320 -0.000 0.000 0.208 310 A C 2.484 180.189 177.584 0.201 0.000 1.177 310 A CA 2.247 54.442 52.037 0.264 0.000 0.804 310 A CB -0.594 18.602 19.000 0.326 0.000 0.823 310 A HN 2.210 nan 8.150 nan 0.000 0.482 311 S N -0.252 115.489 115.700 0.068 0.000 2.470 311 S HA 0.093 4.563 4.470 -0.000 0.000 0.225 311 S C 0.772 175.226 174.600 -0.243 0.000 1.006 311 S CA -0.155 57.805 58.200 -0.399 0.000 0.934 311 S CB -0.393 62.657 63.200 -0.249 0.000 0.778 311 S HN 0.257 nan 8.310 nan 0.000 0.517 312 I N 3.112 123.657 120.570 -0.041 0.000 2.741 312 I HA 0.093 4.263 4.170 -0.000 0.000 0.288 312 I C 0.325 176.457 176.117 0.026 0.000 1.192 312 I CA 0.045 61.360 61.300 0.025 0.000 1.426 312 I CB -0.522 37.546 38.000 0.112 0.000 1.367 312 I HN 0.348 nan 8.210 nan 0.000 0.563 313 L N 6.914 128.174 121.223 0.061 0.000 2.334 313 L HA 0.457 4.797 4.340 -0.000 0.000 0.277 313 L C 0.652 177.651 176.870 0.215 0.000 1.075 313 L CA -0.248 54.669 54.840 0.129 0.000 0.804 313 L CB 1.583 43.738 42.059 0.160 0.000 1.174 313 L HN 0.782 nan 8.230 nan 0.000 0.438 314 T N -1.914 112.640 114.554 0.000 0.000 2.804 314 T HA 0.328 4.678 4.350 -0.000 0.000 0.290 314 T C 0.793 174.997 174.700 -0.827 0.000 1.099 314 T CA -0.636 61.198 62.100 -0.444 0.000 1.011 314 T CB 0.773 69.493 68.868 -0.246 0.000 1.291 314 T HN 0.433 nan 8.240 nan 0.000 0.523 315 F N -1.125 118.262 119.950 -0.938 0.000 2.307 315 F HA 0.116 4.643 4.527 0.000 0.000 0.301 315 F C 1.691 177.400 175.800 -0.152 0.000 1.076 315 F CA 0.213 57.882 58.000 -0.553 0.000 1.383 315 F CB -1.015 37.690 39.000 -0.491 0.000 1.055 315 F HN 0.558 nan 8.300 nan 0.000 0.526 316 W N 1.530 122.394 121.300 -0.727 0.000 2.392 316 W HA -0.110 4.551 4.660 0.001 0.000 0.279 316 W C 0.839 177.288 176.519 -0.117 0.000 1.225 316 W CA 0.877 57.980 57.345 -0.403 0.000 1.233 316 W CB -0.193 28.960 29.460 -0.512 0.000 1.122 316 W HN -0.015 nan 8.180 nan 0.000 0.561 317 D N 0.023 120.494 120.400 0.118 0.000 3.071 317 D HA 0.236 4.876 4.640 -0.000 0.000 0.259 317 D C 1.535 177.973 176.300 0.229 0.000 1.331 317 D CA 0.348 54.435 54.000 0.144 0.000 0.861 317 D CB -0.036 40.827 40.800 0.105 0.000 1.059 317 D HN 0.024 nan 8.370 nan 0.000 0.486 318 A N 1.381 124.365 122.820 0.273 0.000 1.893 318 A HA -0.357 3.963 4.320 -0.000 0.000 0.222 318 A C 2.197 179.986 177.584 0.342 0.000 1.309 318 A CA 1.996 54.263 52.037 0.383 0.000 0.681 318 A CB -0.490 18.622 19.000 0.186 0.000 0.842 318 A HN 0.332 nan 8.150 nan 0.000 0.468 319 R N -0.700 119.922 120.500 0.203 0.000 2.080 319 R HA -0.076 4.264 4.340 -0.000 0.000 0.236 319 R C 2.195 178.597 176.300 0.171 0.000 1.137 319 R CA 1.900 58.103 56.100 0.172 0.000 0.943 319 R CB -0.427 29.939 30.300 0.109 0.000 0.846 319 R HN 0.572 nan 8.270 nan 0.000 0.431 320 L N -0.691 120.610 121.223 0.130 0.000 2.141 320 L HA -0.166 4.173 4.340 -0.000 0.000 0.209 320 L C 2.272 179.196 176.870 0.090 0.000 1.094 320 L CA 0.914 55.789 54.840 0.058 0.000 0.763 320 L CB -0.517 41.548 42.059 0.009 0.000 0.908 320 L HN 0.303 nan 8.230 nan 0.000 0.437 321 Y N 1.279 121.623 120.300 0.073 0.000 2.181 321 Y HA -0.265 4.285 4.550 -0.000 0.000 0.288 321 Y C 2.550 178.522 175.900 0.121 0.000 1.146 321 Y CA 1.575 59.734 58.100 0.099 0.000 1.164 321 Y CB -0.096 38.477 38.460 0.187 0.000 0.982 321 Y HN -0.014 nan 8.280 nan 0.000 0.515 322 K N -0.551 120.001 120.400 0.253 0.000 2.097 322 K HA -0.222 4.097 4.320 -0.000 0.000 0.206 322 K C 2.272 178.831 176.600 -0.070 0.000 1.049 322 K CA 1.753 58.172 56.287 0.219 0.000 0.933 322 K CB -0.230 32.545 32.500 0.459 0.000 0.717 322 K HN 0.402 nan 8.250 nan 0.000 0.442 323 M N -0.010 119.459 119.600 -0.217 0.000 2.156 323 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 323 M C 2.169 178.215 176.300 -0.423 0.000 1.067 323 M CA 1.318 56.257 55.300 -0.602 0.000 1.131 323 M CB -0.035 32.349 32.600 -0.359 0.000 1.368 323 M HN 0.197 nan 8.290 nan 0.000 0.416 324 A N -0.507 122.125 122.820 -0.314 0.000 1.877 324 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 324 A C 2.013 179.476 177.584 -0.201 0.000 1.186 324 A CA 1.765 53.626 52.037 -0.293 0.000 0.620 324 A CB -1.063 17.789 19.000 -0.247 0.000 0.822 324 A HN 0.361 nan 8.150 nan 0.000 0.443 325 V N -0.051 119.698 119.914 -0.276 0.000 2.343 325 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 325 V C 2.795 178.849 176.094 -0.067 0.000 1.051 325 V CA 1.926 64.105 62.300 -0.202 0.000 1.036 325 V CB -1.432 30.201 31.823 -0.317 0.000 0.654 325 V HN 0.622 nan 8.190 nan 0.000 0.451 326 G N -0.989 107.760 108.800 -0.084 0.000 2.418 326 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.217 326 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.217 326 G C 1.577 176.535 174.900 0.097 0.000 1.158 326 G CA 0.946 46.051 45.100 0.007 0.000 0.771 326 G HN 0.484 nan 8.290 nan 0.000 0.545 327 F N 0.909 120.809 119.950 -0.082 0.000 2.134 327 F HA -0.013 4.514 4.527 -0.000 0.000 0.299 327 F C 2.644 178.493 175.800 0.082 0.000 1.097 327 F CA 2.061 60.004 58.000 -0.094 0.000 1.264 327 F CB -0.067 38.554 39.000 -0.632 0.000 1.001 327 F HN 0.164 nan 8.300 nan 0.000 0.479 328 M N -0.075 119.663 119.600 0.229 0.000 2.086 328 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 328 M C 1.936 178.334 176.300 0.163 0.000 1.067 328 M CA 1.907 57.394 55.300 0.310 0.000 1.116 328 M CB -0.447 32.329 32.600 0.295 0.000 1.348 328 M HN 0.285 nan 8.290 nan 0.000 0.407 329 L N 0.099 121.364 121.223 0.070 0.000 2.275 329 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 329 L C 2.585 179.503 176.870 0.080 0.000 1.119 329 L CA 0.839 55.700 54.840 0.034 0.000 0.790 329 L CB -0.701 41.355 42.059 -0.005 0.000 0.919 329 L HN 0.445 nan 8.230 nan 0.000 0.443 330 A N -2.148 120.703 122.820 0.050 0.000 1.984 330 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 330 A C 1.173 178.997 177.584 0.400 0.000 1.173 330 A CA 0.181 52.286 52.037 0.114 0.000 0.673 330 A CB -0.306 18.571 19.000 -0.206 0.000 0.830 330 A HN 0.283 nan 8.150 nan 0.000 0.453 331 H N 1.025 120.204 119.070 0.182 0.000 2.646 331 H HA 0.170 4.726 4.556 -0.000 0.000 0.325 331 H C -1.690 173.732 175.328 0.158 0.000 1.075 331 H CA -1.421 54.688 56.048 0.101 0.000 1.421 331 H CB 1.480 31.162 29.762 -0.134 0.000 1.461 331 H HN 0.103 nan 8.280 nan 0.000 0.525 332 P HA -0.163 nan 4.420 nan 0.000 0.225 332 P C 0.277 177.676 177.300 0.166 0.000 1.148 332 P CA 0.689 63.825 63.100 0.061 0.000 0.779 332 P CB -0.210 31.476 31.700 -0.024 0.000 0.780 333 Y N 2.209 122.692 120.300 0.306 0.000 2.544 333 Y HA 0.324 4.874 4.550 -0.000 0.000 0.330 333 Y C 1.277 177.220 175.900 0.073 0.000 1.136 333 Y CA 1.210 59.426 58.100 0.194 0.000 1.417 333 Y CB -0.299 38.283 38.460 0.202 0.000 1.229 333 Y HN 0.300 nan 8.280 nan 0.000 0.532 334 G N 4.645 113.029 108.800 -0.693 0.000 2.806 334 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.236 334 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.236 334 G C -1.276 173.524 174.900 -0.167 0.000 1.387 334 G CA -0.206 44.581 45.100 -0.522 0.000 0.884 334 G HN 0.925 nan 8.290 nan 0.000 0.560 335 F N 2.109 121.907 119.950 -0.254 0.000 2.385 335 F HA 0.611 5.138 4.527 -0.000 0.000 0.360 335 F C 1.237 176.921 175.800 -0.193 0.000 1.122 335 F CA 0.030 57.912 58.000 -0.197 0.000 1.090 335 F CB 1.224 40.113 39.000 -0.184 0.000 1.150 335 F HN 0.804 nan 8.300 nan 0.000 0.472 336 T N 4.090 118.218 114.554 -0.710 0.000 2.856 336 T HA 0.391 4.741 4.350 -0.000 0.000 0.292 336 T C -0.287 174.108 174.700 -0.507 0.000 0.980 336 T CA -0.862 60.944 62.100 -0.489 0.000 1.091 336 T CB 1.307 69.963 68.868 -0.353 0.000 0.936 336 T HN 0.779 nan 8.240 nan 0.000 0.503 337 R N 2.381 122.740 120.500 -0.234 0.000 2.439 337 R HA 0.568 4.908 4.340 -0.000 0.000 0.310 337 R C -1.483 174.803 176.300 -0.023 0.000 0.955 337 R CA -0.704 55.314 56.100 -0.136 0.000 0.853 337 R CB 1.400 31.627 30.300 -0.122 0.000 1.171 337 R HN 0.603 nan 8.270 nan 0.000 0.449 338 V N 5.524 125.445 119.914 0.011 0.000 2.509 338 V HA 0.293 4.413 4.120 -0.000 0.000 0.284 338 V C 0.305 176.460 176.094 0.101 0.000 1.047 338 V CA -0.630 61.716 62.300 0.077 0.000 0.952 338 V CB 1.434 33.341 31.823 0.139 0.000 0.988 338 V HN 0.793 nan 8.190 nan 0.000 0.469 339 M N 4.216 123.899 119.600 0.137 0.000 2.233 339 M HA 0.457 4.937 4.480 -0.000 0.000 0.355 339 M C -0.132 176.214 176.300 0.076 0.000 1.191 339 M CA 0.679 56.057 55.300 0.131 0.000 1.101 339 M CB 1.415 34.125 32.600 0.184 0.000 1.592 339 M HN 0.609 nan 8.290 nan 0.000 0.461 340 S N 3.034 118.743 115.700 0.015 0.000 2.756 340 S HA 0.778 5.248 4.470 -0.000 0.000 0.303 340 S C -1.102 173.565 174.600 0.112 0.000 1.135 340 S CA -0.593 57.622 58.200 0.026 0.000 1.066 340 S CB 0.371 63.501 63.200 -0.116 0.000 1.008 340 S HN 0.869 nan 8.310 nan 0.000 0.482 341 S N 3.415 119.170 115.700 0.091 0.000 2.806 341 S HA 0.833 5.303 4.470 -0.000 0.000 0.315 341 S C -1.051 173.655 174.600 0.176 0.000 1.127 341 S CA -0.848 57.440 58.200 0.145 0.000 0.918 341 S CB 0.591 63.802 63.200 0.019 0.000 1.240 341 S HN 0.768 nan 8.310 nan 0.000 0.552 342 Y N -1.081 119.310 120.300 0.151 0.000 2.549 342 Y HA 0.745 5.295 4.550 -0.000 0.000 0.339 342 Y C -0.103 175.790 175.900 -0.011 0.000 1.053 342 Y CA -1.430 56.630 58.100 -0.067 0.000 1.105 342 Y CB 0.867 39.124 38.460 -0.339 0.000 1.258 342 Y HN 0.518 nan 8.280 nan 0.000 0.478 343 R N 1.536 122.104 120.500 0.115 0.000 2.441 343 R HA 0.353 4.692 4.340 -0.000 0.000 0.284 343 R C -1.547 175.061 176.300 0.513 0.000 1.070 343 R CA -0.345 55.857 56.100 0.170 0.000 1.047 343 R CB 0.840 31.132 30.300 -0.012 0.000 1.016 343 R HN 0.990 nan 8.270 nan 0.000 0.477 344 W N 3.118 124.648 121.300 0.383 0.000 3.083 344 W HA 0.446 5.106 4.660 -0.001 0.000 0.333 344 W C -2.552 174.131 176.519 0.273 0.000 1.217 344 W CA -2.384 55.133 57.345 0.286 0.000 1.170 344 W CB 0.459 30.081 29.460 0.271 0.000 1.437 344 W HN 0.342 nan 8.180 nan 0.000 0.557 345 P HA 0.052 nan 4.420 nan 0.000 0.244 345 P C -0.112 177.132 177.300 -0.094 0.000 1.723 345 P CA 0.137 63.259 63.100 0.035 0.000 1.110 345 P CB 0.032 31.769 31.700 0.061 0.000 1.972 346 R N 2.031 122.246 120.500 -0.476 0.000 2.480 346 R HA 0.018 4.358 4.340 -0.000 0.000 0.303 346 R C 0.312 176.384 176.300 -0.381 0.000 0.985 346 R CA 0.601 56.344 56.100 -0.594 0.000 1.051 346 R CB 0.149 29.728 30.300 -1.201 0.000 0.935 346 R HN 0.428 nan 8.270 nan 0.000 0.410 347 Q N 3.750 123.382 119.800 -0.279 0.000 2.394 347 Q HA 0.238 4.578 4.340 -0.000 0.000 0.261 347 Q C -1.499 174.399 176.000 -0.170 0.000 1.023 347 Q CA -0.386 55.327 55.803 -0.150 0.000 0.720 347 Q CB 0.718 29.436 28.738 -0.033 0.000 1.241 347 Q HN 0.370 nan 8.270 nan 0.000 0.483 348 F N 2.239 122.166 119.950 -0.039 0.000 2.420 348 F HA 0.328 4.854 4.527 -0.001 0.000 0.352 348 F C 0.265 176.070 175.800 0.008 0.000 1.108 348 F CA 0.142 58.134 58.000 -0.012 0.000 1.162 348 F CB 1.157 40.128 39.000 -0.049 0.000 1.118 348 F HN 0.376 nan 8.300 nan 0.000 0.510 349 Q N 3.176 123.110 119.800 0.223 0.000 2.275 349 Q HA 0.265 4.604 4.340 -0.000 0.000 0.266 349 Q C -0.600 175.484 176.000 0.140 0.000 1.002 349 Q CA -0.833 55.058 55.803 0.146 0.000 0.761 349 Q CB 1.586 30.387 28.738 0.106 0.000 1.255 349 Q HN 0.611 nan 8.270 nan 0.000 0.446 350 N N 1.415 120.179 118.700 0.106 0.000 2.754 350 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 350 N C 0.559 176.130 175.510 0.100 0.000 1.093 350 N CA 1.492 54.590 53.050 0.081 0.000 0.699 350 N CB -1.231 37.297 38.487 0.069 0.000 1.016 350 N HN 1.134 nan 8.380 nan 0.000 0.552 351 G N -0.828 108.050 108.800 0.129 0.000 2.184 351 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.264 351 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.264 351 G C -0.108 174.988 174.900 0.326 0.000 0.975 351 G CA 0.750 45.932 45.100 0.137 0.000 0.642 351 G HN 1.034 nan 8.290 nan 0.000 0.536 352 N N -0.400 118.511 118.700 0.352 0.000 2.284 352 N HA 0.487 5.227 4.740 -0.000 0.000 0.300 352 N C -1.069 174.537 175.510 0.160 0.000 1.047 352 N CA -0.545 52.688 53.050 0.304 0.000 0.821 352 N CB 1.942 40.533 38.487 0.173 0.000 1.337 352 N HN -0.008 nan 8.380 nan 0.000 0.482 353 D N 2.420 122.753 120.400 -0.112 0.000 2.352 353 D HA 0.005 4.645 4.640 -0.000 0.000 0.245 353 D C 1.287 177.584 176.300 -0.004 0.000 1.224 353 D CA -0.688 53.080 54.000 -0.386 0.000 0.879 353 D CB 1.041 41.496 40.800 -0.574 0.000 1.057 353 D HN 0.475 nan 8.370 nan 0.000 0.491 354 V N 1.775 121.718 119.914 0.048 0.000 3.141 354 V HA 0.026 4.146 4.120 -0.000 0.000 0.265 354 V C 0.728 176.987 176.094 0.275 0.000 1.126 354 V CA 0.792 63.206 62.300 0.189 0.000 1.141 354 V CB -0.510 31.419 31.823 0.177 0.000 0.743 354 V HN 0.359 nan 8.190 nan 0.000 0.492 355 N N 1.717 120.493 118.700 0.126 0.000 2.321 355 N HA 0.092 4.831 4.740 -0.000 0.000 0.242 355 N C 0.831 176.267 175.510 -0.123 0.000 1.141 355 N CA 0.685 53.685 53.050 -0.084 0.000 0.864 355 N CB 0.224 38.710 38.487 -0.002 0.000 1.100 355 N HN 0.798 nan 8.380 nan 0.000 0.510 356 D N -0.572 119.898 120.400 0.117 0.000 2.363 356 D HA -0.120 4.520 4.640 -0.000 0.000 0.226 356 D C 1.458 177.922 176.300 0.273 0.000 1.020 356 D CA 0.101 54.191 54.000 0.149 0.000 0.892 356 D CB -0.389 40.642 40.800 0.384 0.000 0.900 356 D HN 0.491 nan 8.370 nan 0.000 0.531 357 W N 0.642 122.145 121.300 0.338 0.000 2.942 357 W HA 0.292 4.951 4.660 -0.000 0.000 0.263 357 W C -0.199 176.385 176.519 0.109 0.000 1.296 357 W CA -0.592 56.930 57.345 0.296 0.000 1.504 357 W CB -0.662 28.989 29.460 0.318 0.000 1.096 357 W HN -0.310 nan 8.180 nan 0.000 0.639 358 V N 3.490 123.023 119.914 -0.634 0.000 2.625 358 V HA 0.085 4.204 4.120 -0.000 0.000 0.305 358 V C 1.463 177.582 176.094 0.043 0.000 1.055 358 V CA 1.074 63.045 62.300 -0.548 0.000 1.209 358 V CB -0.459 31.067 31.823 -0.496 0.000 0.877 358 V HN 0.185 nan 8.190 nan 0.000 0.489 359 G N 6.672 115.478 108.800 0.010 0.000 2.588 359 G HA2 0.461 4.421 3.960 -0.000 0.000 0.278 359 G HA3 0.461 4.421 3.960 -0.000 0.000 0.278 359 G C -2.350 172.244 174.900 -0.509 0.000 1.307 359 G CA -1.004 44.058 45.100 -0.062 0.000 1.016 359 G HN 0.644 nan 8.290 nan 0.000 0.503 360 P HA 0.182 nan 4.420 nan 0.000 0.271 360 P C -2.628 174.123 177.300 -0.915 0.000 1.233 360 P CA -1.045 61.127 63.100 -1.546 0.000 0.789 360 P CB -0.170 31.010 31.700 -0.867 0.000 0.951 361 P HA 0.031 nan 4.420 nan 0.000 0.263 361 P C -0.353 176.732 177.300 -0.358 0.000 1.175 361 P CA 0.776 63.511 63.100 -0.608 0.000 0.761 361 P CB -0.184 31.025 31.700 -0.817 0.000 0.794 362 N N 0.420 119.005 118.700 -0.192 0.000 2.961 362 N HA 0.338 5.078 4.740 -0.000 0.000 0.245 362 N C -1.686 173.812 175.510 -0.020 0.000 1.404 362 N CA -1.056 51.942 53.050 -0.087 0.000 0.880 362 N CB 1.017 39.470 38.487 -0.056 0.000 1.461 362 N HN 0.079 nan 8.380 nan 0.000 0.510 363 N N 0.328 119.033 118.700 0.009 0.000 2.564 363 N HA 0.341 5.081 4.740 -0.000 0.000 0.248 363 N C -0.899 174.652 175.510 0.069 0.000 0.986 363 N CA -0.705 52.360 53.050 0.024 0.000 0.921 363 N CB 0.841 39.333 38.487 0.007 0.000 1.136 363 N HN 0.807 nan 8.380 nan 0.000 0.509 364 N N 2.681 121.440 118.700 0.098 0.000 2.725 364 N HA -0.269 4.471 4.740 -0.000 0.000 0.249 364 N C 0.611 176.327 175.510 0.343 0.000 1.103 364 N CA 0.618 53.765 53.050 0.163 0.000 0.707 364 N CB -0.738 37.804 38.487 0.093 0.000 1.043 364 N HN 0.959 nan 8.380 nan 0.000 0.553 365 G N -1.877 107.150 108.800 0.379 0.000 2.194 365 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.236 365 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.236 365 G C -0.023 174.885 174.900 0.012 0.000 0.987 365 G CA 0.217 45.419 45.100 0.169 0.000 0.635 365 G HN 0.504 nan 8.290 nan 0.000 0.520 366 V N 3.100 123.034 119.914 0.033 0.000 2.368 366 V HA 0.408 4.528 4.120 -0.000 0.000 0.266 366 V C 1.283 177.354 176.094 -0.038 0.000 1.045 366 V CA -0.712 61.580 62.300 -0.014 0.000 0.899 366 V CB 1.071 32.896 31.823 0.002 0.000 1.006 366 V HN 0.351 nan 8.190 nan 0.000 0.470 367 I N 5.016 125.544 120.570 -0.071 0.000 2.906 367 I HA -0.047 4.122 4.170 -0.000 0.000 0.302 367 I C 0.969 177.081 176.117 -0.009 0.000 1.220 367 I CA 0.473 61.736 61.300 -0.061 0.000 1.441 367 I CB 0.069 38.030 38.000 -0.066 0.000 1.336 367 I HN 0.577 nan 8.210 nan 0.000 0.565 368 K N 5.891 126.306 120.400 0.026 0.000 2.258 368 K HA 0.174 4.494 4.320 -0.000 0.000 0.264 368 K C 0.056 176.743 176.600 0.146 0.000 1.007 368 K CA -0.464 55.862 56.287 0.066 0.000 0.941 368 K CB 0.546 33.062 32.500 0.027 0.000 0.966 368 K HN 0.501 nan 8.250 nan 0.000 0.480 369 E N 0.810 121.033 120.200 0.039 0.000 2.404 369 E HA 0.030 4.380 4.350 -0.000 0.000 0.261 369 E C -0.711 175.821 176.600 -0.113 0.000 1.074 369 E CA -0.300 56.054 56.400 -0.077 0.000 0.917 369 E CB 0.971 30.627 29.700 -0.073 0.000 0.965 369 E HN 0.147 nan 8.360 nan 0.000 0.433 370 V N 3.592 123.220 119.914 -0.476 0.000 2.389 370 V HA 0.076 4.195 4.120 -0.000 0.000 0.264 370 V C 0.352 176.266 176.094 -0.300 0.000 1.049 370 V CA -0.322 61.563 62.300 -0.691 0.000 0.932 370 V CB 0.445 31.403 31.823 -1.441 0.000 1.011 370 V HN 0.703 nan 8.190 nan 0.000 0.475 371 T N 4.129 118.617 114.554 -0.110 0.000 2.907 371 T HA 0.676 5.026 4.350 -0.000 0.000 0.284 371 T C -0.438 174.237 174.700 -0.040 0.000 1.004 371 T CA -0.755 61.312 62.100 -0.055 0.000 1.063 371 T CB 1.604 70.467 68.868 -0.008 0.000 0.992 371 T HN 0.220 nan 8.240 nan 0.000 0.483 372 I N 3.003 123.555 120.570 -0.029 0.000 2.354 372 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 372 I C 0.112 176.231 176.117 0.004 0.000 0.989 372 I CA -1.102 60.190 61.300 -0.013 0.000 1.188 372 I CB 0.940 38.935 38.000 -0.007 0.000 1.342 372 I HN 0.659 nan 8.210 nan 0.000 0.457 373 N N 8.391 127.097 118.700 0.011 0.000 2.483 373 N HA 0.283 5.023 4.740 -0.000 0.000 0.269 373 N C -1.506 174.017 175.510 0.021 0.000 1.209 373 N CA -1.417 51.643 53.050 0.016 0.000 0.969 373 N CB 0.798 39.296 38.487 0.019 0.000 1.173 373 N HN 0.325 nan 8.380 nan 0.000 0.475 374 P HA -0.154 nan 4.420 nan 0.000 0.218 374 P C 0.256 177.574 177.300 0.030 0.000 1.146 374 P CA 1.337 64.451 63.100 0.025 0.000 0.813 374 P CB 0.137 31.849 31.700 0.019 0.000 0.778 375 D N -1.495 118.921 120.400 0.028 0.000 2.319 375 D HA -0.032 4.607 4.640 -0.000 0.000 0.230 375 D C 0.764 177.092 176.300 0.047 0.000 1.094 375 D CA 0.964 54.983 54.000 0.032 0.000 0.856 375 D CB -1.113 39.698 40.800 0.019 0.000 0.915 375 D HN 0.261 nan 8.370 nan 0.000 0.517 376 T N -4.182 110.401 114.554 0.048 0.000 6.412 376 T HA -0.272 4.078 4.350 -0.000 0.000 0.279 376 T C 0.533 175.243 174.700 0.017 0.000 2.177 376 T CA 1.476 63.607 62.100 0.052 0.000 3.599 376 T CB -3.020 65.915 68.868 0.113 0.000 1.259 376 T HN 0.572 nan 8.240 nan 0.000 1.146 377 T N -0.987 113.584 114.554 0.030 0.000 2.788 377 T HA 0.654 5.004 4.350 -0.000 0.000 0.280 377 T C 0.847 175.564 174.700 0.029 0.000 0.984 377 T CA -0.266 61.859 62.100 0.042 0.000 0.972 377 T CB 1.263 70.164 68.868 0.055 0.000 1.039 377 T HN 0.614 nan 8.240 nan 0.000 0.530 378 c N 0.399 119.034 118.600 0.059 0.000 2.397 378 c HA 0.888 5.458 4.570 -0.000 0.000 0.343 378 c C 1.310 175.452 174.090 0.087 0.000 1.188 378 c CA -0.333 56.035 56.329 0.066 0.000 1.992 378 c CB 0.792 43.370 42.510 0.114 0.000 2.358 378 c HN 1.188 nan 8.230 nan 0.000 0.518 379 G N 0.358 109.209 108.800 0.086 0.000 2.938 379 G HA2 0.472 4.431 3.960 -0.000 0.000 0.258 379 G HA3 0.472 4.431 3.960 -0.000 0.000 0.258 379 G C -0.043 174.929 174.900 0.120 0.000 1.356 379 G CA -0.183 44.961 45.100 0.073 0.000 1.052 379 G HN 0.735 nan 8.290 nan 0.000 0.550 380 N N 0.111 118.839 118.700 0.046 0.000 2.741 380 N HA -0.149 4.591 4.740 -0.000 0.000 0.250 380 N C 0.057 175.433 175.510 -0.224 0.000 1.115 380 N CA 1.314 54.355 53.050 -0.016 0.000 0.724 380 N CB -0.586 37.970 38.487 0.115 0.000 1.090 380 N HN 0.674 nan 8.380 nan 0.000 0.558 381 D N -3.988 116.322 120.400 -0.150 0.000 3.070 381 D HA -0.226 4.414 4.640 -0.000 0.000 0.210 381 D C -0.494 175.647 176.300 -0.264 0.000 1.103 381 D CA 1.030 54.905 54.000 -0.209 0.000 0.980 381 D CB -1.453 39.194 40.800 -0.255 0.000 1.100 381 D HN 0.523 nan 8.370 nan 0.000 0.423 382 W N 0.572 121.844 121.300 -0.047 0.000 2.345 382 W HA 0.351 5.011 4.660 0.000 0.000 0.308 382 W C 1.758 178.257 176.519 -0.032 0.000 1.273 382 W CA -0.926 56.406 57.345 -0.022 0.000 1.243 382 W CB 0.745 30.147 29.460 -0.097 0.000 1.260 382 W HN -0.273 nan 8.180 nan 0.000 0.509 383 V N 2.418 122.387 119.914 0.093 0.000 2.358 383 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 383 V C 1.295 177.430 176.094 0.069 0.000 1.047 383 V CA 0.688 62.935 62.300 -0.088 0.000 1.035 383 V CB -0.932 30.518 31.823 -0.621 0.000 0.658 383 V HN 0.866 nan 8.190 nan 0.000 0.452 384 c N 1.034 119.710 118.600 0.126 0.000 4.056 384 c HA -0.154 4.416 4.570 -0.000 0.000 0.302 384 c C 1.657 175.589 174.090 -0.263 0.000 1.356 384 c CA 0.503 56.866 56.329 0.056 0.000 2.074 384 c CB -2.503 40.023 42.510 0.027 0.000 1.328 384 c HN 0.693 nan 8.230 nan 0.000 0.684 385 E N 0.382 120.311 120.200 -0.452 0.000 2.160 385 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 385 E C 1.935 178.276 176.600 -0.432 0.000 0.991 385 E CA 1.645 57.401 56.400 -1.073 0.000 0.810 385 E CB -0.156 29.076 29.700 -0.781 0.000 0.742 385 E HN 0.970 nan 8.360 nan 0.000 0.466 386 H N -0.220 118.752 119.070 -0.163 0.000 2.545 386 H HA 0.094 4.650 4.556 -0.000 0.000 0.282 386 H C 1.402 176.845 175.328 0.191 0.000 1.020 386 H CA 0.892 56.988 56.048 0.080 0.000 1.243 386 H CB -0.008 29.745 29.762 -0.015 0.000 1.377 386 H HN 0.066 nan 8.280 nan 0.000 0.581 387 R N -0.651 119.616 120.500 -0.388 0.000 2.312 387 R HA 0.061 4.401 4.340 -0.000 0.000 0.205 387 R C -0.199 176.257 176.300 0.259 0.000 0.904 387 R CA -0.418 55.573 56.100 -0.181 0.000 1.052 387 R CB 0.276 30.292 30.300 -0.473 0.000 1.014 387 R HN 0.098 nan 8.270 nan 0.000 0.503 388 W N 1.806 123.140 121.300 0.056 0.000 2.322 388 W HA 0.086 4.746 4.660 -0.000 0.000 0.328 388 W C 1.529 178.131 176.519 0.139 0.000 1.395 388 W CA -0.814 56.591 57.345 0.101 0.000 1.267 388 W CB 0.008 29.549 29.460 0.135 0.000 1.259 388 W HN 0.100 nan 8.180 nan 0.000 0.560 389 R N 1.845 122.526 120.500 0.302 0.000 2.113 389 R HA -0.308 4.032 4.340 -0.000 0.000 0.244 389 R C 1.715 178.144 176.300 0.216 0.000 1.142 389 R CA 2.478 58.708 56.100 0.218 0.000 0.953 389 R CB -0.009 30.366 30.300 0.124 0.000 0.860 389 R HN 0.475 nan 8.270 nan 0.000 0.438 390 Q N -0.019 119.916 119.800 0.226 0.000 2.181 390 Q HA -0.096 4.244 4.340 -0.000 0.000 0.205 390 Q C 1.940 178.107 176.000 0.278 0.000 0.980 390 Q CA 1.680 57.612 55.803 0.215 0.000 0.862 390 Q CB -0.016 28.879 28.738 0.262 0.000 0.905 390 Q HN 0.493 nan 8.270 nan 0.000 0.429 391 I N -0.670 120.099 120.570 0.332 0.000 2.628 391 I HA -0.100 4.070 4.170 -0.000 0.000 0.255 391 I C 2.445 178.702 176.117 0.234 0.000 1.119 391 I CA 0.317 61.776 61.300 0.265 0.000 1.448 391 I CB -0.199 37.955 38.000 0.256 0.000 1.133 391 I HN 0.130 nan 8.210 nan 0.000 0.438 392 R N 1.517 122.200 120.500 0.305 0.000 2.091 392 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 392 R C 1.766 178.163 176.300 0.162 0.000 1.136 392 R CA 1.817 58.105 56.100 0.314 0.000 0.959 392 R CB -0.291 30.263 30.300 0.423 0.000 0.856 392 R HN 0.322 nan 8.270 nan 0.000 0.437 393 N N -0.002 118.800 118.700 0.171 0.000 2.331 393 N HA -0.090 4.650 4.740 -0.000 0.000 0.180 393 N C 1.528 177.138 175.510 0.166 0.000 1.019 393 N CA 0.933 54.078 53.050 0.158 0.000 0.881 393 N CB -0.070 38.510 38.487 0.155 0.000 0.972 393 N HN 0.205 nan 8.380 nan 0.000 0.435 394 M N -0.173 119.507 119.600 0.132 0.000 2.349 394 M HA 0.059 4.539 4.480 -0.000 0.000 0.266 394 M C 1.823 178.161 176.300 0.062 0.000 1.076 394 M CA 0.392 55.753 55.300 0.102 0.000 1.126 394 M CB -0.577 32.062 32.600 0.064 0.000 1.392 394 M HN -0.116 nan 8.290 nan 0.000 0.440 395 V N 0.468 120.364 119.914 -0.030 0.000 2.407 395 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 395 V C 2.287 178.275 176.094 -0.176 0.000 1.055 395 V CA 1.437 63.619 62.300 -0.197 0.000 1.049 395 V CB -0.431 31.078 31.823 -0.523 0.000 0.662 395 V HN 0.349 nan 8.190 nan 0.000 0.455 396 I N -1.098 119.408 120.570 -0.106 0.000 2.353 396 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 396 I C 2.275 178.304 176.117 -0.146 0.000 1.119 396 I CA 1.424 62.656 61.300 -0.113 0.000 1.417 396 I CB -0.395 37.578 38.000 -0.046 0.000 1.078 396 I HN 0.323 nan 8.210 nan 0.000 0.421 397 F N 2.015 121.833 119.950 -0.219 0.000 2.126 397 F HA -0.264 4.263 4.527 -0.000 0.000 0.299 397 F C 2.687 178.374 175.800 -0.188 0.000 1.096 397 F CA 1.764 59.608 58.000 -0.261 0.000 1.255 397 F CB -0.343 38.643 39.000 -0.023 0.000 0.997 397 F HN -0.149 nan 8.300 nan 0.000 0.479 398 R N 0.200 120.828 120.500 0.213 0.000 2.096 398 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 398 R C 2.028 178.299 176.300 -0.048 0.000 1.127 398 R CA 1.648 57.816 56.100 0.112 0.000 0.968 398 R CB -0.327 29.995 30.300 0.038 0.000 0.861 398 R HN 0.296 nan 8.270 nan 0.000 0.440 399 N N -0.017 118.618 118.700 -0.108 0.000 2.084 399 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 399 N C 1.775 177.195 175.510 -0.150 0.000 1.030 399 N CA 1.336 54.314 53.050 -0.120 0.000 0.849 399 N CB -0.376 38.033 38.487 -0.130 0.000 1.012 399 N HN 0.036 nan 8.380 nan 0.000 0.423 400 V N 1.158 120.922 119.914 -0.250 0.000 2.343 400 V HA -0.139 3.980 4.120 -0.000 0.000 0.247 400 V C 2.137 178.085 176.094 -0.242 0.000 1.051 400 V CA 1.554 63.681 62.300 -0.288 0.000 1.036 400 V CB -0.575 30.933 31.823 -0.525 0.000 0.654 400 V HN 0.302 nan 8.190 nan 0.000 0.451 401 V N -2.022 117.721 119.914 -0.285 0.000 3.633 401 V HA 0.210 4.330 4.120 -0.000 0.000 0.283 401 V C 0.677 176.729 176.094 -0.071 0.000 1.305 401 V CA -0.208 61.978 62.300 -0.190 0.000 1.153 401 V CB -0.607 31.071 31.823 -0.242 0.000 0.950 401 V HN 0.449 nan 8.190 nan 0.000 0.432 402 D N 1.870 122.231 120.400 -0.065 0.000 2.662 402 D HA 0.306 4.946 4.640 -0.000 0.000 0.233 402 D C 1.522 177.815 176.300 -0.012 0.000 1.129 402 D CA 2.083 56.067 54.000 -0.027 0.000 0.851 402 D CB 0.275 41.055 40.800 -0.032 0.000 1.152 402 D HN 0.651 nan 8.370 nan 0.000 0.507 403 G N 3.183 111.987 108.800 0.006 0.000 2.253 403 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.251 403 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.251 403 G C 0.283 175.197 174.900 0.023 0.000 0.998 403 G CA 0.129 45.236 45.100 0.012 0.000 0.621 403 G HN 0.589 nan 8.290 nan 0.000 0.524 404 Q N 1.632 121.449 119.800 0.027 0.000 2.327 404 Q HA 0.391 4.731 4.340 -0.000 0.000 0.254 404 Q C -1.999 174.048 176.000 0.078 0.000 0.952 404 Q CA -1.290 54.540 55.803 0.045 0.000 0.884 404 Q CB 1.317 30.076 28.738 0.035 0.000 1.224 404 Q HN 0.416 nan 8.270 nan 0.000 0.422 405 P HA 0.091 nan 4.420 nan 0.000 0.274 405 P C -0.660 176.748 177.300 0.179 0.000 1.237 405 P CA -0.417 62.755 63.100 0.120 0.000 0.793 405 P CB 0.445 32.205 31.700 0.100 0.000 0.977 406 F N 2.849 122.812 119.950 0.022 0.000 2.471 406 F HA 0.331 4.858 4.527 -0.000 0.000 0.365 406 F C 0.228 176.093 175.800 0.108 0.000 1.095 406 F CA 0.911 58.924 58.000 0.023 0.000 1.174 406 F CB 0.047 38.952 39.000 -0.158 0.000 1.105 406 F HN 0.435 nan 8.300 nan 0.000 0.535 407 T N 1.736 116.148 114.554 -0.237 0.000 2.731 407 T HA 0.293 4.643 4.350 -0.000 0.000 0.300 407 T C -0.334 174.344 174.700 -0.037 0.000 1.283 407 T CA -1.170 60.869 62.100 -0.101 0.000 1.005 407 T CB 1.247 70.143 68.868 0.047 0.000 1.420 407 T HN 0.487 nan 8.240 nan 0.000 0.503 408 N N 0.663 119.418 118.700 0.092 0.000 2.716 408 N HA -0.128 4.612 4.740 -0.000 0.000 0.250 408 N C -0.441 175.229 175.510 0.266 0.000 1.033 408 N CA 0.651 53.817 53.050 0.193 0.000 0.727 408 N CB -0.763 37.861 38.487 0.228 0.000 0.950 408 N HN 0.721 nan 8.380 nan 0.000 0.541 409 W N 0.950 122.263 121.300 0.022 0.000 2.190 409 W HA 0.317 4.977 4.660 -0.000 0.000 0.330 409 W C -0.401 176.254 176.519 0.226 0.000 1.299 409 W CA -0.107 57.287 57.345 0.082 0.000 1.215 409 W CB 0.327 29.812 29.460 0.042 0.000 1.147 409 W HN 0.218 nan 8.180 nan 0.000 0.563 410 Y N 4.911 124.770 120.300 -0.736 0.000 2.534 410 Y HA 0.409 4.958 4.550 -0.000 0.000 0.345 410 Y C -1.597 173.838 175.900 -0.774 0.000 1.031 410 Y CA -0.821 56.989 58.100 -0.483 0.000 1.022 410 Y CB 1.522 39.890 38.460 -0.153 0.000 1.292 410 Y HN 0.539 nan 8.280 nan 0.000 0.459 411 D N 1.673 121.152 120.400 -1.535 0.000 2.654 411 D HA 0.185 4.825 4.640 -0.000 0.000 0.231 411 D C -1.257 174.507 176.300 -0.892 0.000 1.239 411 D CA -0.783 52.631 54.000 -0.977 0.000 0.790 411 D CB 0.890 41.569 40.800 -0.201 0.000 1.480 411 D HN 0.458 nan 8.370 nan 0.000 0.442 412 N N 1.001 119.497 118.700 -0.341 0.000 2.276 412 N HA 0.202 4.942 4.740 -0.000 0.000 0.212 412 N C 1.386 176.932 175.510 0.060 0.000 1.127 412 N CA 0.279 53.324 53.050 -0.009 0.000 0.834 412 N CB 0.377 39.022 38.487 0.263 0.000 1.014 412 N HN 1.072 nan 8.380 nan 0.000 0.491 413 G N -1.258 107.553 108.800 0.018 0.000 2.184 413 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 413 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 413 G C 0.435 175.372 174.900 0.060 0.000 0.975 413 G CA 0.752 45.897 45.100 0.076 0.000 0.642 413 G HN 0.638 nan 8.290 nan 0.000 0.536 414 S N -0.797 114.927 115.700 0.039 0.000 3.609 414 S HA 0.431 4.901 4.470 -0.000 0.000 0.182 414 S C 1.061 175.582 174.600 -0.131 0.000 0.942 414 S CA 0.814 59.012 58.200 -0.003 0.000 1.310 414 S CB 0.194 63.483 63.200 0.149 0.000 1.020 414 S HN 0.303 nan 8.310 nan 0.000 0.841 415 N N 0.440 119.029 118.700 -0.185 0.000 2.241 415 N HA 0.335 5.075 4.740 -0.000 0.000 0.238 415 N C -1.252 174.109 175.510 -0.248 0.000 1.244 415 N CA -0.083 52.818 53.050 -0.248 0.000 0.880 415 N CB 1.104 39.414 38.487 -0.296 0.000 1.179 415 N HN 0.300 nan 8.380 nan 0.000 0.513 416 Q N 1.562 121.244 119.800 -0.197 0.000 2.394 416 Q HA 0.466 4.805 4.340 -0.000 0.000 0.259 416 Q C -0.762 175.098 176.000 -0.233 0.000 1.021 416 Q CA -0.671 54.990 55.803 -0.236 0.000 0.805 416 Q CB 2.049 30.732 28.738 -0.091 0.000 1.226 416 Q HN 0.098 nan 8.270 nan 0.000 0.476 417 V N -1.178 118.560 119.914 -0.293 0.000 3.141 417 V HA 1.054 5.174 4.120 -0.000 0.000 0.312 417 V C -1.268 174.626 176.094 -0.333 0.000 1.157 417 V CA -0.861 61.207 62.300 -0.386 0.000 1.041 417 V CB 2.005 33.540 31.823 -0.480 0.000 1.071 417 V HN 0.745 nan 8.190 nan 0.000 0.441 418 A N 1.483 124.021 122.820 -0.470 0.000 2.605 418 A HA 0.991 5.311 4.320 -0.000 0.000 0.294 418 A C -1.248 176.109 177.584 -0.379 0.000 1.062 418 A CA -0.127 51.615 52.037 -0.491 0.000 0.682 418 A CB 1.587 20.249 19.000 -0.563 0.000 1.278 418 A HN 2.449 nan 8.150 nan 0.000 0.410 419 F N -1.091 118.468 119.950 -0.652 0.000 2.741 419 F HA 0.866 5.393 4.527 -0.000 0.000 0.311 419 F C -0.037 175.524 175.800 -0.399 0.000 1.149 419 F CA -0.320 57.464 58.000 -0.361 0.000 0.930 419 F CB 0.829 39.765 39.000 -0.108 0.000 1.312 419 F HN 1.158 nan 8.300 nan 0.000 0.450 420 G N 0.453 109.381 108.800 0.213 0.000 2.685 420 G HA2 0.686 4.646 3.960 -0.000 0.000 0.298 420 G HA3 0.686 4.646 3.960 -0.000 0.000 0.298 420 G C -1.618 173.458 174.900 0.293 0.000 1.277 420 G CA -1.338 43.946 45.100 0.308 0.000 0.986 420 G HN 0.599 nan 8.290 nan 0.000 0.487 421 R N 0.446 121.092 120.500 0.243 0.000 2.352 421 R HA 0.487 4.827 4.340 -0.000 0.000 0.304 421 R C 0.875 177.239 176.300 0.106 0.000 1.104 421 R CA 0.066 56.280 56.100 0.191 0.000 0.991 421 R CB 0.436 30.848 30.300 0.185 0.000 1.140 421 R HN 1.264 nan 8.270 nan 0.000 0.540 422 G N 3.680 112.540 108.800 0.099 0.000 2.634 422 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.309 422 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.309 422 G C 0.283 175.218 174.900 0.058 0.000 1.265 422 G CA 0.730 45.870 45.100 0.067 0.000 0.998 422 G HN 0.678 nan 8.290 nan 0.000 0.551 423 N N 0.566 119.289 118.700 0.037 0.000 2.328 423 N HA 0.233 4.973 4.740 -0.000 0.000 0.247 423 N C 1.245 176.770 175.510 0.025 0.000 1.165 423 N CA -0.009 53.059 53.050 0.029 0.000 0.873 423 N CB 0.573 39.077 38.487 0.028 0.000 1.125 423 N HN 0.571 nan 8.380 nan 0.000 0.513 424 R N -0.738 119.766 120.500 0.007 0.000 2.394 424 R HA 0.356 4.696 4.340 -0.000 0.000 0.220 424 R C 0.284 176.538 176.300 -0.077 0.000 0.887 424 R CA 0.372 56.458 56.100 -0.023 0.000 1.034 424 R CB 1.284 31.546 30.300 -0.063 0.000 1.179 424 R HN 0.288 nan 8.270 nan 0.000 0.561 425 G N 0.544 109.307 108.800 -0.061 0.000 2.673 425 G HA2 0.515 4.475 3.960 -0.000 0.000 0.292 425 G HA3 0.515 4.475 3.960 -0.000 0.000 0.292 425 G C -2.080 172.953 174.900 0.221 0.000 1.450 425 G CA -0.404 44.654 45.100 -0.070 0.000 0.837 425 G HN -0.007 nan 8.290 nan 0.000 0.505 426 F N 0.563 120.578 119.950 0.109 0.000 2.608 426 F HA 0.803 5.330 4.527 -0.000 0.000 0.309 426 F C -1.170 174.560 175.800 -0.116 0.000 1.103 426 F CA -1.037 56.945 58.000 -0.030 0.000 0.954 426 F CB 2.087 41.026 39.000 -0.101 0.000 1.267 426 F HN 0.512 nan 8.300 nan 0.000 0.444 427 I N 5.443 125.389 120.570 -1.039 0.000 2.686 427 I HA 0.724 4.894 4.170 -0.000 0.000 0.295 427 I C -1.781 173.583 176.117 -1.255 0.000 1.114 427 I CA -0.736 59.958 61.300 -1.011 0.000 1.038 427 I CB 1.942 39.327 38.000 -1.025 0.000 1.238 427 I HN 0.371 nan 8.210 nan 0.000 0.420 428 V N 7.029 126.315 119.914 -1.048 0.000 2.656 428 V HA 0.538 4.658 4.120 -0.000 0.000 0.307 428 V C -1.014 174.599 176.094 -0.803 0.000 1.051 428 V CA -0.508 61.263 62.300 -0.881 0.000 0.893 428 V CB 1.743 33.090 31.823 -0.793 0.000 0.999 428 V HN 0.467 nan 8.190 nan 0.000 0.426 429 F N 2.519 122.228 119.950 -0.402 0.000 2.540 429 F HA 0.570 5.097 4.527 -0.000 0.000 0.317 429 F C 0.129 175.707 175.800 -0.369 0.000 1.104 429 F CA -0.638 57.202 58.000 -0.268 0.000 0.913 429 F CB 2.001 40.862 39.000 -0.232 0.000 1.170 429 F HN 0.457 nan 8.300 nan 0.000 0.450 430 N N 1.954 120.611 118.700 -0.071 0.000 2.623 430 N HA 0.185 4.925 4.740 -0.000 0.000 0.256 430 N C -0.853 174.580 175.510 -0.128 0.000 1.045 430 N CA -0.247 52.709 53.050 -0.157 0.000 0.863 430 N CB 0.448 38.882 38.487 -0.088 0.000 1.182 430 N HN 0.538 nan 8.380 nan 0.000 0.523 431 N N 1.832 120.414 118.700 -0.196 0.000 2.273 431 N HA 0.162 4.902 4.740 -0.000 0.000 0.231 431 N C -1.018 174.323 175.510 -0.281 0.000 1.134 431 N CA -0.169 52.761 53.050 -0.200 0.000 0.856 431 N CB 0.279 38.638 38.487 -0.214 0.000 1.068 431 N HN 0.493 nan 8.380 nan 0.000 0.510 432 D N -0.611 119.537 120.400 -0.420 0.000 2.387 432 D HA 0.151 4.791 4.640 -0.000 0.000 0.255 432 D C 0.048 176.044 176.300 -0.507 0.000 1.081 432 D CA -0.201 53.374 54.000 -0.709 0.000 0.994 432 D CB 0.999 40.912 40.800 -1.479 0.000 1.127 432 D HN 0.061 nan 8.370 nan 0.000 0.513 433 D N 0.513 120.678 120.400 -0.392 0.000 2.325 433 D HA 0.096 4.736 4.640 -0.000 0.000 0.234 433 D C 0.016 176.436 176.300 0.199 0.000 1.122 433 D CA 0.080 54.075 54.000 -0.007 0.000 0.850 433 D CB 0.033 40.915 40.800 0.138 0.000 0.921 433 D HN 0.333 nan 8.370 nan 0.000 0.513 434 W N -0.981 120.355 121.300 0.061 0.000 3.032 434 W HA 0.574 5.234 4.660 -0.000 0.000 0.341 434 W C -0.308 176.270 176.519 0.099 0.000 1.202 434 W CA -1.067 56.320 57.345 0.070 0.000 1.132 434 W CB 0.133 29.632 29.460 0.066 0.000 1.465 434 W HN -0.450 nan 8.180 nan 0.000 0.576 435 S N 1.210 117.118 115.700 0.347 0.000 2.585 435 S HA 0.342 4.812 4.470 -0.000 0.000 0.273 435 S C -1.211 173.586 174.600 0.327 0.000 1.339 435 S CA -0.312 58.038 58.200 0.250 0.000 1.028 435 S CB 0.240 63.555 63.200 0.191 0.000 0.906 435 S HN 0.410 nan 8.310 nan 0.000 0.528 436 F N 2.506 122.518 119.950 0.103 0.000 2.434 436 F HA 0.513 5.040 4.527 -0.000 0.000 0.355 436 F C -0.151 175.689 175.800 0.067 0.000 1.115 436 F CA -0.338 57.718 58.000 0.093 0.000 1.010 436 F CB 0.992 40.011 39.000 0.032 0.000 1.234 436 F HN 0.407 nan 8.300 nan 0.000 0.439 437 S N 7.803 123.193 115.700 -0.518 0.000 2.745 437 S HA 0.785 5.255 4.470 -0.000 0.000 0.283 437 S C -1.698 172.515 174.600 -0.645 0.000 1.170 437 S CA -0.441 57.484 58.200 -0.458 0.000 1.119 437 S CB 0.479 63.651 63.200 -0.047 0.000 1.035 437 S HN 0.784 nan 8.310 nan 0.000 0.483 438 L N 3.548 124.163 121.223 -1.013 0.000 2.653 438 L HA 0.582 4.922 4.340 -0.000 0.000 0.257 438 L C -0.631 175.877 176.870 -0.603 0.000 0.969 438 L CA -0.086 54.336 54.840 -0.697 0.000 0.869 438 L CB 2.212 43.884 42.059 -0.644 0.000 1.439 438 L HN 0.490 nan 8.230 nan 0.000 0.414 439 T N 3.861 118.272 114.554 -0.239 0.000 2.780 439 T HA 0.644 4.994 4.350 -0.000 0.000 0.294 439 T C -0.749 173.928 174.700 -0.039 0.000 0.949 439 T CA -0.070 62.002 62.100 -0.048 0.000 1.074 439 T CB 0.511 69.431 68.868 0.087 0.000 0.910 439 T HN 0.248 nan 8.240 nan 0.000 0.501 440 L N 2.875 124.129 121.223 0.052 0.000 2.333 440 L HA 0.526 4.866 4.340 -0.000 0.000 0.263 440 L C -0.071 176.758 176.870 -0.068 0.000 1.014 440 L CA -1.031 53.806 54.840 -0.006 0.000 0.820 440 L CB 1.852 43.939 42.059 0.047 0.000 1.352 440 L HN 0.506 nan 8.230 nan 0.000 0.421 441 Q N -0.047 119.695 119.800 -0.096 0.000 2.307 441 Q HA 0.288 4.628 4.340 -0.000 0.000 0.259 441 Q C 0.629 176.378 176.000 -0.419 0.000 0.998 441 Q CA 0.552 56.262 55.803 -0.154 0.000 0.923 441 Q CB 1.021 29.735 28.738 -0.041 0.000 1.196 441 Q HN 0.754 nan 8.270 nan 0.000 0.416 442 T N 0.232 114.443 114.554 -0.572 0.000 3.037 442 T HA 0.261 4.611 4.350 -0.000 0.000 0.252 442 T C 1.268 175.740 174.700 -0.380 0.000 1.073 442 T CA 0.435 61.933 62.100 -1.002 0.000 1.091 442 T CB -0.095 68.262 68.868 -0.852 0.000 0.935 442 T HN 1.019 nan 8.240 nan 0.000 0.488 443 G N 1.130 109.813 108.800 -0.195 0.000 2.155 443 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.257 443 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.257 443 G C -0.247 174.620 174.900 -0.055 0.000 0.983 443 G CA 0.283 45.341 45.100 -0.070 0.000 0.676 443 G HN 0.577 nan 8.290 nan 0.000 0.528 444 L N 1.502 122.660 121.223 -0.107 0.000 2.344 444 L HA 0.651 4.991 4.340 -0.000 0.000 0.272 444 L C -1.496 175.381 176.870 0.012 0.000 1.035 444 L CA -2.565 52.234 54.840 -0.069 0.000 0.807 444 L CB 1.046 42.959 42.059 -0.243 0.000 1.237 444 L HN -0.069 nan 8.230 nan 0.000 0.442 445 P HA 0.173 nan 4.420 nan 0.000 0.272 445 P C -0.910 176.492 177.300 0.171 0.000 1.223 445 P CA -0.543 62.622 63.100 0.109 0.000 0.784 445 P CB 0.451 32.213 31.700 0.103 0.000 0.923 446 A N 1.490 124.374 122.820 0.106 0.000 2.555 446 A HA 0.475 4.795 4.320 -0.000 0.000 0.233 446 A C 0.874 178.533 177.584 0.125 0.000 1.060 446 A CA 1.188 53.291 52.037 0.110 0.000 0.759 446 A CB -1.094 17.940 19.000 0.056 0.000 0.995 446 A HN 0.922 nan 8.150 nan 0.000 0.506 447 G N -0.509 108.374 108.800 0.139 0.000 2.369 447 G HA2 0.425 4.385 3.960 -0.000 0.000 0.293 447 G HA3 0.425 4.385 3.960 -0.000 0.000 0.293 447 G C -0.710 174.227 174.900 0.061 0.000 1.301 447 G CA -0.200 44.915 45.100 0.024 0.000 0.913 447 G HN 1.048 nan 8.290 nan 0.000 0.540 448 T N 1.057 115.546 114.554 -0.108 0.000 2.758 448 T HA 0.638 4.988 4.350 -0.000 0.000 0.285 448 T C -1.202 173.334 174.700 -0.274 0.000 0.981 448 T CA 0.128 62.156 62.100 -0.120 0.000 0.965 448 T CB 0.613 69.444 68.868 -0.062 0.000 0.927 448 T HN 0.392 nan 8.240 nan 0.000 0.448 449 Y N 0.757 120.922 120.300 -0.225 0.000 2.393 449 Y HA 0.418 4.968 4.550 -0.000 0.000 0.341 449 Y C 0.435 176.211 175.900 -0.207 0.000 0.988 449 Y CA -1.204 56.788 58.100 -0.179 0.000 1.078 449 Y CB 0.981 39.364 38.460 -0.128 0.000 1.203 449 Y HN 0.571 nan 8.280 nan 0.000 0.453 450 c N 2.340 120.920 118.600 -0.034 0.000 2.514 450 c HA 0.161 4.731 4.570 -0.000 0.000 0.392 450 c C 0.382 174.439 174.090 -0.056 0.000 1.294 450 c CA -0.761 55.525 56.329 -0.072 0.000 1.957 450 c CB -0.538 41.924 42.510 -0.079 0.000 2.541 450 c HN 0.775 nan 8.230 nan 0.000 0.569 451 D N 1.775 122.138 120.400 -0.062 0.000 2.371 451 D HA 0.136 4.776 4.640 -0.000 0.000 0.256 451 D C 1.002 177.259 176.300 -0.071 0.000 1.193 451 D CA -0.262 53.702 54.000 -0.060 0.000 0.881 451 D CB 0.957 41.713 40.800 -0.074 0.000 1.143 451 D HN 0.451 nan 8.370 nan 0.000 0.473 452 V N 2.576 122.458 119.914 -0.054 0.000 3.573 452 V HA 0.016 4.136 4.120 -0.000 0.000 0.270 452 V C 1.407 177.468 176.094 -0.055 0.000 1.221 452 V CA 0.292 62.581 62.300 -0.017 0.000 1.163 452 V CB -0.655 31.219 31.823 0.085 0.000 0.847 452 V HN 0.505 nan 8.190 nan 0.000 0.468 453 I N 2.113 122.582 120.570 -0.169 0.000 2.512 453 I HA -0.005 4.165 4.170 -0.000 0.000 0.247 453 I C 2.746 178.749 176.117 -0.190 0.000 1.094 453 I CA 1.916 63.048 61.300 -0.281 0.000 1.427 453 I CB -1.174 36.403 38.000 -0.706 0.000 1.149 453 I HN 0.575 nan 8.210 nan 0.000 0.438 454 S N -0.158 115.439 115.700 -0.173 0.000 2.489 454 S HA 0.244 4.714 4.470 -0.000 0.000 0.228 454 S C 1.056 175.617 174.600 -0.064 0.000 0.995 454 S CA 0.490 58.625 58.200 -0.109 0.000 0.934 454 S CB -0.115 63.027 63.200 -0.097 0.000 0.771 454 S HN 0.453 nan 8.310 nan 0.000 0.522 455 G N -0.389 108.377 108.800 -0.055 0.000 2.772 455 G HA2 0.560 4.520 3.960 -0.000 0.000 0.284 455 G HA3 0.560 4.520 3.960 -0.000 0.000 0.284 455 G C -2.139 172.754 174.900 -0.012 0.000 1.217 455 G CA -0.496 44.587 45.100 -0.029 0.000 0.831 455 G HN 0.213 nan 8.290 nan 0.000 0.523 456 D N -0.611 119.784 120.400 -0.009 0.000 2.583 456 D HA 0.320 4.960 4.640 -0.000 0.000 0.248 456 D C -1.156 175.137 176.300 -0.012 0.000 1.209 456 D CA -0.536 53.466 54.000 0.003 0.000 0.848 456 D CB 2.762 43.575 40.800 0.022 0.000 1.431 456 D HN 0.330 nan 8.370 nan 0.000 0.436 457 K N 1.802 122.196 120.400 -0.011 0.000 2.292 457 K HA 0.485 4.805 4.320 -0.000 0.000 0.270 457 K C -1.054 175.541 176.600 -0.009 0.000 1.062 457 K CA -0.314 55.959 56.287 -0.023 0.000 0.916 457 K CB 0.163 32.641 32.500 -0.037 0.000 1.166 457 K HN 0.339 nan 8.250 nan 0.000 0.458 458 I N 4.910 125.473 120.570 -0.011 0.000 2.466 458 I HA 0.113 4.283 4.170 -0.000 0.000 0.289 458 I C -0.167 175.944 176.117 -0.009 0.000 1.026 458 I CA -0.796 60.502 61.300 -0.004 0.000 1.078 458 I CB 1.708 39.709 38.000 0.002 0.000 1.249 458 I HN 0.771 nan 8.210 nan 0.000 0.429 459 N N 4.261 122.956 118.700 -0.008 0.000 2.666 459 N HA -0.238 4.502 4.740 -0.000 0.000 0.274 459 N C 0.657 176.157 175.510 -0.016 0.000 1.043 459 N CA 0.656 53.700 53.050 -0.010 0.000 0.782 459 N CB -1.335 37.149 38.487 -0.006 0.000 0.912 459 N HN 1.212 nan 8.380 nan 0.000 0.556 460 G N -0.094 108.692 108.800 -0.024 0.000 2.296 460 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.282 460 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.282 460 G C -0.207 174.673 174.900 -0.033 0.000 1.014 460 G CA 0.750 45.831 45.100 -0.033 0.000 0.812 460 G HN 0.865 nan 8.290 nan 0.000 0.508 461 N N -1.535 117.147 118.700 -0.030 0.000 2.329 461 N HA 0.442 5.182 4.740 -0.000 0.000 0.282 461 N C -0.568 174.922 175.510 -0.033 0.000 1.198 461 N CA -0.200 52.833 53.050 -0.028 0.000 0.790 461 N CB 1.720 40.197 38.487 -0.017 0.000 1.579 461 N HN 0.104 nan 8.380 nan 0.000 0.475 462 c N 0.609 119.187 118.600 -0.038 0.000 2.350 462 c HA 0.380 4.950 4.570 -0.000 0.000 0.348 462 c C 2.085 176.158 174.090 -0.029 0.000 1.260 462 c CA -0.495 55.809 56.329 -0.042 0.000 1.966 462 c CB 0.355 42.827 42.510 -0.064 0.000 2.380 462 c HN 0.828 nan 8.230 nan 0.000 0.535 463 T N -0.360 114.179 114.554 -0.024 0.000 3.057 463 T HA 0.258 4.607 4.350 -0.000 0.000 0.254 463 T C 0.900 175.587 174.700 -0.021 0.000 1.094 463 T CA 0.747 62.837 62.100 -0.016 0.000 1.088 463 T CB 0.143 69.006 68.868 -0.009 0.000 0.934 463 T HN 0.831 nan 8.240 nan 0.000 0.497 464 G N 0.851 109.632 108.800 -0.031 0.000 3.234 464 G HA2 0.658 4.618 3.960 -0.000 0.000 0.159 464 G HA3 0.658 4.618 3.960 -0.000 0.000 0.159 464 G C -0.579 174.295 174.900 -0.043 0.000 1.175 464 G CA -1.259 43.819 45.100 -0.036 0.000 0.900 464 G HN 0.399 nan 8.290 nan 0.000 0.621 465 I N 0.733 121.272 120.570 -0.051 0.000 2.813 465 I HA 0.149 4.318 4.170 -0.000 0.000 0.287 465 I C 0.077 176.138 176.117 -0.094 0.000 1.196 465 I CA 0.627 61.894 61.300 -0.056 0.000 1.421 465 I CB 0.763 38.735 38.000 -0.047 0.000 1.365 465 I HN 0.165 nan 8.210 nan 0.000 0.591 466 K N 5.948 126.265 120.400 -0.139 0.000 2.345 466 K HA 0.584 4.904 4.320 -0.000 0.000 0.255 466 K C -1.183 175.136 176.600 -0.468 0.000 0.934 466 K CA -0.631 55.479 56.287 -0.294 0.000 0.801 466 K CB 1.919 34.220 32.500 -0.331 0.000 1.137 466 K HN 0.305 nan 8.250 nan 0.000 0.424 467 I N 3.462 123.742 120.570 -0.483 0.000 2.404 467 I HA 0.271 4.441 4.170 -0.000 0.000 0.293 467 I C -0.805 174.991 176.117 -0.536 0.000 0.992 467 I CA -0.846 60.166 61.300 -0.481 0.000 1.149 467 I CB 1.095 38.895 38.000 -0.333 0.000 1.315 467 I HN 0.547 nan 8.210 nan 0.000 0.446 468 Y N 4.757 124.994 120.300 -0.104 0.000 2.356 468 Y HA 0.438 4.988 4.550 -0.000 0.000 0.334 468 Y C 0.229 176.093 175.900 -0.061 0.000 0.958 468 Y CA -0.893 57.182 58.100 -0.042 0.000 1.196 468 Y CB 1.485 39.912 38.460 -0.055 0.000 1.137 468 Y HN 0.173 nan 8.280 nan 0.000 0.485 469 V N 3.919 123.909 119.914 0.127 0.000 2.407 469 V HA 0.336 4.456 4.120 -0.000 0.000 0.278 469 V C 0.340 176.478 176.094 0.074 0.000 1.037 469 V CA -0.657 61.677 62.300 0.056 0.000 0.900 469 V CB 1.187 33.042 31.823 0.053 0.000 0.983 469 V HN 0.905 nan 8.190 nan 0.000 0.459 470 S N 2.649 118.367 115.700 0.030 0.000 2.671 470 S HA 0.199 4.669 4.470 -0.000 0.000 0.272 470 S C 0.821 175.432 174.600 0.018 0.000 1.174 470 S CA -0.364 57.850 58.200 0.023 0.000 1.004 470 S CB 0.840 64.043 63.200 0.005 0.000 1.077 470 S HN 0.648 nan 8.310 nan 0.000 0.553 471 D N 0.932 121.339 120.400 0.012 0.000 2.263 471 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 471 D C 0.982 177.285 176.300 0.005 0.000 0.971 471 D CA 1.501 55.507 54.000 0.010 0.000 0.867 471 D CB -0.460 40.343 40.800 0.006 0.000 0.929 471 D HN 0.828 nan 8.370 nan 0.000 0.492 472 D N -1.741 118.658 120.400 -0.001 0.000 2.328 472 D HA 0.191 4.831 4.640 -0.000 0.000 0.221 472 D C 1.508 177.798 176.300 -0.017 0.000 1.072 472 D CA 0.563 54.560 54.000 -0.005 0.000 0.850 472 D CB -0.007 40.791 40.800 -0.004 0.000 0.922 472 D HN 0.119 nan 8.370 nan 0.000 0.516 473 G N -0.006 108.780 108.800 -0.023 0.000 2.205 473 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.261 473 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.261 473 G C 0.281 175.124 174.900 -0.095 0.000 0.980 473 G CA 0.275 45.341 45.100 -0.056 0.000 0.632 473 G HN 0.460 nan 8.290 nan 0.000 0.533 474 K N 0.560 120.923 120.400 -0.061 0.000 2.154 474 K HA 0.695 5.015 4.320 -0.000 0.000 0.264 474 K C 0.173 176.739 176.600 -0.057 0.000 1.008 474 K CA 0.339 56.590 56.287 -0.060 0.000 0.937 474 K CB 1.497 33.983 32.500 -0.024 0.000 1.002 474 K HN 0.856 nan 8.250 nan 0.000 0.469 475 A N 1.550 124.341 122.820 -0.049 0.000 2.566 475 A HA 0.273 4.593 4.320 -0.000 0.000 0.297 475 A C -1.855 175.642 177.584 -0.145 0.000 1.059 475 A CA -0.724 51.235 52.037 -0.131 0.000 0.691 475 A CB 0.936 19.762 19.000 -0.290 0.000 1.282 475 A HN 0.840 nan 8.150 nan 0.000 0.401 476 H N 0.456 119.363 119.070 -0.271 0.000 2.580 476 H HA 0.661 5.217 4.556 -0.000 0.000 0.322 476 H C -1.430 173.675 175.328 -0.371 0.000 1.082 476 H CA 0.354 56.287 56.048 -0.191 0.000 1.383 476 H CB 0.344 30.038 29.762 -0.114 0.000 1.450 476 H HN 0.427 nan 8.280 nan 0.000 0.505 477 F N 2.347 122.103 119.950 -0.324 0.000 2.495 477 F HA 0.357 4.884 4.527 -0.000 0.000 0.327 477 F C -0.026 175.675 175.800 -0.165 0.000 1.103 477 F CA -0.665 57.282 58.000 -0.087 0.000 0.949 477 F CB 2.114 41.190 39.000 0.127 0.000 1.142 477 F HN 0.398 nan 8.300 nan 0.000 0.457 478 S N 4.605 120.413 115.700 0.179 0.000 2.756 478 S HA 0.733 5.203 4.470 -0.000 0.000 0.303 478 S C -1.096 173.619 174.600 0.192 0.000 1.135 478 S CA -0.369 57.915 58.200 0.140 0.000 1.066 478 S CB 0.129 63.412 63.200 0.139 0.000 1.008 478 S HN 0.518 nan 8.310 nan 0.000 0.482 479 I N 3.737 124.460 120.570 0.255 0.000 2.439 479 I HA 0.321 4.491 4.170 -0.000 0.000 0.283 479 I C 0.187 176.404 176.117 0.167 0.000 1.023 479 I CA -0.561 60.857 61.300 0.196 0.000 1.100 479 I CB 1.996 40.110 38.000 0.190 0.000 1.238 479 I HN 0.563 nan 8.210 nan 0.000 0.445 480 S N 4.765 120.533 115.700 0.114 0.000 2.565 480 S HA 0.108 4.578 4.470 -0.000 0.000 0.276 480 S C 1.390 176.036 174.600 0.077 0.000 1.326 480 S CA -0.629 57.631 58.200 0.100 0.000 1.045 480 S CB 0.630 63.879 63.200 0.081 0.000 0.918 480 S HN 0.748 nan 8.310 nan 0.000 0.505 481 N N 3.169 121.910 118.700 0.069 0.000 2.585 481 N HA -0.067 4.673 4.740 -0.000 0.000 0.188 481 N C 0.627 176.161 175.510 0.040 0.000 1.102 481 N CA 0.537 53.607 53.050 0.034 0.000 0.920 481 N CB -0.246 38.253 38.487 0.020 0.000 0.963 481 N HN 0.398 nan 8.380 nan 0.000 0.447 482 S N -0.409 115.322 115.700 0.051 0.000 2.557 482 S HA 0.351 4.821 4.470 -0.000 0.000 0.223 482 S C 0.746 175.370 174.600 0.040 0.000 0.969 482 S CA -0.453 57.773 58.200 0.044 0.000 0.927 482 S CB 0.238 63.466 63.200 0.046 0.000 0.806 482 S HN 0.611 nan 8.310 nan 0.000 0.489 483 A N 1.573 124.419 122.820 0.043 0.000 2.445 483 A HA 0.308 4.628 4.320 -0.000 0.000 0.242 483 A C 1.475 179.079 177.584 0.035 0.000 1.075 483 A CA -0.222 51.836 52.037 0.035 0.000 0.777 483 A CB 0.185 19.206 19.000 0.036 0.000 1.013 483 A HN 0.201 nan 8.150 nan 0.000 0.493 484 E N 1.104 121.317 120.200 0.021 0.000 2.070 484 E HA -0.164 4.185 4.350 -0.000 0.000 0.197 484 E C -0.305 176.325 176.600 0.049 0.000 1.004 484 E CA 2.004 58.417 56.400 0.022 0.000 0.805 484 E CB 0.025 29.724 29.700 -0.002 0.000 0.744 484 E HN 0.646 nan 8.360 nan 0.000 0.451 485 D N 0.696 121.119 120.400 0.038 0.000 2.454 485 D HA 0.147 4.787 4.640 -0.000 0.000 0.247 485 D C -2.252 174.108 176.300 0.100 0.000 1.129 485 D CA -1.506 52.551 54.000 0.095 0.000 0.877 485 D CB 1.616 42.391 40.800 -0.041 0.000 1.082 485 D HN 0.139 nan 8.370 nan 0.000 0.537 486 P HA 0.080 nan 4.420 nan 0.000 0.261 486 P C -0.746 176.688 177.300 0.223 0.000 1.650 486 P CA -0.114 63.078 63.100 0.153 0.000 0.846 486 P CB -0.878 30.883 31.700 0.101 0.000 1.758 487 F N -1.514 118.370 119.950 -0.111 0.000 2.665 487 F HA 0.645 5.172 4.527 -0.000 0.000 0.308 487 F C -1.699 173.934 175.800 -0.279 0.000 1.112 487 F CA -2.053 55.772 58.000 -0.291 0.000 0.972 487 F CB 0.777 39.525 39.000 -0.420 0.000 1.295 487 F HN -0.316 nan 8.300 nan 0.000 0.440 488 I N 2.680 123.031 120.570 -0.366 0.000 2.545 488 I HA 0.826 4.996 4.170 -0.000 0.000 0.292 488 I C -0.723 175.202 176.117 -0.320 0.000 1.040 488 I CA -1.161 59.953 61.300 -0.310 0.000 1.068 488 I CB 2.105 40.086 38.000 -0.032 0.000 1.251 488 I HN 1.019 nan 8.210 nan 0.000 0.424 489 A N 7.371 130.055 122.820 -0.226 0.000 2.398 489 A HA 0.907 5.226 4.320 -0.000 0.000 0.301 489 A C -0.912 176.725 177.584 0.088 0.000 1.041 489 A CA -0.484 51.481 52.037 -0.119 0.000 0.711 489 A CB 1.343 20.200 19.000 -0.239 0.000 1.240 489 A HN 0.713 nan 8.150 nan 0.000 0.420 490 I N 0.042 120.742 120.570 0.216 0.000 2.769 490 I HA 0.919 5.089 4.170 -0.000 0.000 0.298 490 I C -0.667 175.556 176.117 0.176 0.000 1.128 490 I CA -0.916 60.460 61.300 0.126 0.000 1.031 490 I CB 2.353 40.374 38.000 0.034 0.000 1.235 490 I HN 0.951 nan 8.210 nan 0.000 0.423 491 H N 2.931 122.081 119.070 0.134 0.000 2.942 491 H HA 0.761 5.317 4.556 -0.000 0.000 0.316 491 H C 0.495 175.913 175.328 0.150 0.000 1.323 491 H CA -0.364 55.673 56.048 -0.018 0.000 1.144 491 H CB 1.138 30.722 29.762 -0.296 0.000 1.866 491 H HN 0.628 nan 8.280 nan 0.000 0.545 492 A N 0.019 123.017 122.820 0.297 0.000 1.948 492 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 492 A C 1.566 179.275 177.584 0.209 0.000 1.177 492 A CA 1.951 54.132 52.037 0.241 0.000 0.636 492 A CB -0.676 18.392 19.000 0.113 0.000 0.815 492 A HN 0.702 nan 8.150 nan 0.000 0.449 493 E N -0.217 120.216 120.200 0.388 0.000 2.489 493 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 493 E C 1.608 178.261 176.600 0.088 0.000 1.057 493 E CA 0.844 57.386 56.400 0.237 0.000 0.866 493 E CB 0.001 29.851 29.700 0.249 0.000 0.916 493 E HN 0.702 nan 8.360 nan 0.000 0.500 494 S N -0.143 115.467 115.700 -0.150 0.000 2.554 494 S HA 0.098 4.568 4.470 -0.000 0.000 0.226 494 S C 0.759 175.268 174.600 -0.152 0.000 0.980 494 S CA -0.461 57.590 58.200 -0.247 0.000 0.939 494 S CB 0.145 63.024 63.200 -0.535 0.000 0.832 494 S HN -0.034 nan 8.310 nan 0.000 0.486 495 K N 1.256 121.533 120.400 -0.205 0.000 2.270 495 K HA 0.375 4.695 4.320 -0.000 0.000 0.276 495 K C -0.164 176.242 176.600 -0.323 0.000 1.023 495 K CA -0.692 55.268 56.287 -0.545 0.000 0.955 495 K CB 0.338 32.369 32.500 -0.782 0.000 0.975 495 K HN 0.120 nan 8.250 nan 0.000 0.471 496 L N 0.000 121.033 121.223 -0.316 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.731 54.840 -0.182 0.000 0.813 496 L CB 0.000 41.975 42.059 -0.139 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502