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 1kbk_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 AGFRLAASKH 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 0.000 175.937 175.900 0.062 0.000 1.272 2 Y CA 0.000 58.175 58.100 0.125 0.000 1.940 2 Y CB 0.000 38.476 38.460 0.027 0.000 1.050 3 S N 2.105 117.849 115.700 0.074 0.000 2.513 3 S HA 0.293 4.763 4.470 -0.000 0.000 0.276 3 S C -1.765 172.520 174.600 -0.524 0.000 1.254 3 S CA -1.303 56.776 58.200 -0.201 0.000 1.053 3 S CB 1.217 64.360 63.200 -0.095 0.000 0.958 3 S HN -0.021 nan 8.310 nan 0.000 0.491 4 P HA 0.011 nan 4.420 nan 0.000 0.222 4 P C 0.058 177.111 177.300 -0.412 0.000 1.147 4 P CA 0.642 62.870 63.100 -1.453 0.000 0.790 4 P CB -0.070 30.678 31.700 -1.587 0.000 0.780 5 N N -2.651 115.917 118.700 -0.220 0.000 2.782 5 N HA -0.108 4.632 4.740 -0.000 0.000 0.251 5 N C -0.031 175.542 175.510 0.105 0.000 1.101 5 N CA 1.477 54.526 53.050 -0.001 0.000 0.764 5 N CB -2.316 36.167 38.487 -0.007 0.000 1.122 5 N HN 0.328 nan 8.380 nan 0.000 0.561 6 T N -2.365 112.212 114.554 0.039 0.000 2.788 6 T HA 0.255 4.605 4.350 -0.000 0.000 0.287 6 T C 0.587 175.326 174.700 0.065 0.000 1.007 6 T CA -0.445 61.713 62.100 0.097 0.000 1.005 6 T CB 1.949 70.891 68.868 0.123 0.000 1.012 6 T HN 0.251 nan 8.240 nan 0.000 0.530 7 Q N 0.450 120.280 119.800 0.050 0.000 2.417 7 Q HA 0.049 4.389 4.340 -0.000 0.000 0.241 7 Q C 1.286 177.295 176.000 0.016 0.000 1.008 7 Q CA -0.691 55.125 55.803 0.021 0.000 0.901 7 Q CB 0.496 29.235 28.738 0.001 0.000 1.259 7 Q HN 0.696 nan 8.270 nan 0.000 0.489 8 Q N 1.088 120.892 119.800 0.007 0.000 2.143 8 Q HA -0.248 4.092 4.340 -0.000 0.000 0.261 8 Q C 0.693 176.692 176.000 -0.002 0.000 1.076 8 Q CA 2.357 58.160 55.803 0.001 0.000 0.929 8 Q CB -1.162 27.573 28.738 -0.005 0.000 1.005 8 Q HN 0.882 nan 8.270 nan 0.000 0.477 9 G N 0.579 109.373 108.800 -0.011 0.000 4.294 9 G HA2 0.386 4.346 3.960 -0.000 0.000 0.301 9 G HA3 0.386 4.346 3.960 -0.000 0.000 0.301 9 G C -0.411 174.472 174.900 -0.030 0.000 1.321 9 G CA -0.356 44.731 45.100 -0.022 0.000 1.190 9 G HN 0.014 nan 8.290 nan 0.000 0.600 10 R N 0.339 120.834 120.500 -0.009 0.000 2.393 10 R HA 0.387 4.727 4.340 -0.000 0.000 0.315 10 R C 0.595 176.901 176.300 0.011 0.000 0.952 10 R CA -0.309 55.782 56.100 -0.015 0.000 0.842 10 R CB 1.402 31.711 30.300 0.016 0.000 1.163 10 R HN 0.217 nan 8.270 nan 0.000 0.450 11 T N -2.588 111.930 114.554 -0.060 0.000 3.085 11 T HA 0.238 4.588 4.350 -0.000 0.000 0.264 11 T C 0.392 174.853 174.700 -0.397 0.000 1.019 11 T CA -0.205 61.838 62.100 -0.095 0.000 0.910 11 T CB 0.414 69.220 68.868 -0.104 0.000 1.059 11 T HN 0.261 nan 8.240 nan 0.000 0.542 12 S N 1.244 116.746 115.700 -0.330 0.000 2.595 12 S HA 0.793 5.263 4.470 -0.000 0.000 0.281 12 S C -0.773 173.737 174.600 -0.151 0.000 1.117 12 S CA -1.074 56.855 58.200 -0.452 0.000 0.873 12 S CB 1.795 64.800 63.200 -0.326 0.000 1.108 12 S HN 0.587 nan 8.310 nan 0.000 0.477 13 I N -0.996 119.501 120.570 -0.122 0.000 2.846 13 I HA 0.922 5.092 4.170 -0.000 0.000 0.307 13 I C -0.995 175.176 176.117 0.090 0.000 1.053 13 I CA -1.069 60.288 61.300 0.094 0.000 1.050 13 I CB 1.795 39.880 38.000 0.141 0.000 1.239 13 I HN 0.446 nan 8.210 nan 0.000 0.439 14 V N 3.319 123.304 119.914 0.119 0.000 2.680 14 V HA 0.436 4.556 4.120 -0.000 0.000 0.309 14 V C -1.140 174.978 176.094 0.040 0.000 1.052 14 V CA -0.350 61.980 62.300 0.050 0.000 0.908 14 V CB 1.666 33.444 31.823 -0.075 0.000 1.001 14 V HN 0.891 nan 8.190 nan 0.000 0.431 15 H N 6.628 125.657 119.070 -0.068 0.000 2.820 15 H HA 0.423 4.979 4.556 -0.000 0.000 0.278 15 H C -0.435 174.824 175.328 -0.115 0.000 1.142 15 H CA -0.533 55.496 56.048 -0.032 0.000 1.346 15 H CB 0.464 30.234 29.762 0.014 0.000 1.438 15 H HN 0.622 nan 8.280 nan 0.000 0.473 16 L N 6.939 128.013 121.223 -0.248 0.000 2.399 16 L HA 0.096 4.436 4.340 -0.000 0.000 0.257 16 L C 0.046 176.756 176.870 -0.266 0.000 1.236 16 L CA -0.629 53.785 54.840 -0.708 0.000 1.144 16 L CB -0.674 40.682 42.059 -1.172 0.000 1.379 16 L HN 0.479 nan 8.230 nan 0.000 0.414 17 F N 4.502 124.164 119.950 -0.480 0.000 2.571 17 F HA -0.038 4.489 4.527 -0.000 0.000 0.390 17 F C 1.371 177.381 175.800 0.350 0.000 1.043 17 F CA 0.216 58.037 58.000 -0.298 0.000 1.164 17 F CB -0.192 38.581 39.000 -0.378 0.000 1.049 17 F HN 0.529 nan 8.300 nan 0.000 0.552 18 E N 2.380 122.623 120.200 0.072 0.000 3.496 18 E HA -0.304 4.046 4.350 -0.000 0.000 0.300 18 E C -0.453 176.277 176.600 0.218 0.000 0.877 18 E CA 0.902 57.317 56.400 0.024 0.000 1.050 18 E CB -1.687 27.885 29.700 -0.214 0.000 1.532 18 E HN 0.620 nan 8.360 nan 0.000 0.447 19 W N 1.629 122.886 121.300 -0.072 0.000 2.137 19 W HA 0.180 4.840 4.660 -0.000 0.000 0.344 19 W C 1.512 177.885 176.519 -0.244 0.000 1.286 19 W CA 0.071 57.264 57.345 -0.253 0.000 1.240 19 W CB 0.255 29.565 29.460 -0.251 0.000 1.141 19 W HN -0.091 nan 8.180 nan 0.000 0.579 20 R N 1.674 122.113 120.500 -0.103 0.000 2.531 20 R HA 0.102 4.442 4.340 -0.000 0.000 0.273 20 R C 1.050 177.395 176.300 0.075 0.000 1.070 20 R CA -0.394 55.577 56.100 -0.215 0.000 1.112 20 R CB 0.540 30.731 30.300 -0.182 0.000 1.049 20 R HN 0.691 nan 8.270 nan 0.000 0.508 21 W N 0.597 121.952 121.300 0.091 0.000 2.338 21 W HA -0.227 4.433 4.660 -0.000 0.000 0.304 21 W C 1.944 178.483 176.519 0.034 0.000 1.212 21 W CA 0.124 57.516 57.345 0.078 0.000 1.264 21 W CB -0.274 29.251 29.460 0.109 0.000 1.142 21 W HN 0.425 nan 8.180 nan 0.000 0.512 22 V N 1.057 121.114 119.914 0.239 0.000 2.407 22 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 22 V C 1.765 177.912 176.094 0.088 0.000 1.055 22 V CA 2.318 64.694 62.300 0.127 0.000 1.049 22 V CB -0.515 31.350 31.823 0.069 0.000 0.662 22 V HN 0.074 nan 8.190 nan 0.000 0.455 23 D N -0.195 120.246 120.400 0.068 0.000 2.149 23 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 23 D C 2.064 178.500 176.300 0.226 0.000 0.972 23 D CA 1.629 55.657 54.000 0.046 0.000 0.835 23 D CB -0.063 40.629 40.800 -0.181 0.000 0.966 23 D HN 0.490 nan 8.370 nan 0.000 0.476 24 I N 1.320 122.066 120.570 0.292 0.000 2.315 24 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 24 I C 2.554 178.724 176.117 0.088 0.000 1.117 24 I CA 0.699 62.124 61.300 0.209 0.000 1.404 24 I CB -0.207 37.903 38.000 0.184 0.000 1.071 24 I HN -0.099 nan 8.210 nan 0.000 0.419 25 A N 1.327 124.194 122.820 0.079 0.000 1.883 25 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 25 A C 2.311 179.913 177.584 0.030 0.000 1.186 25 A CA 1.547 53.596 52.037 0.020 0.000 0.624 25 A CB -0.911 18.104 19.000 0.024 0.000 0.822 25 A HN 0.369 nan 8.150 nan 0.000 0.444 26 L N -1.164 120.092 121.223 0.055 0.000 2.017 26 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 26 L C 2.691 179.606 176.870 0.075 0.000 1.073 26 L CA 1.802 56.674 54.840 0.054 0.000 0.745 26 L CB -0.551 41.537 42.059 0.047 0.000 0.894 26 L HN 0.460 nan 8.230 nan 0.000 0.432 27 E N -0.196 120.072 120.200 0.112 0.000 2.118 27 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 27 E C 2.255 178.899 176.600 0.074 0.000 0.992 27 E CA 1.600 58.078 56.400 0.130 0.000 0.804 27 E CB -0.283 29.511 29.700 0.157 0.000 0.741 27 E HN 0.430 nan 8.360 nan 0.000 0.458 28 c N 0.409 119.021 118.600 0.020 0.000 2.413 28 c HA -0.123 4.447 4.570 -0.000 0.000 0.276 28 c C 2.407 176.506 174.090 0.015 0.000 1.236 28 c CA 1.262 57.585 56.329 -0.009 0.000 1.735 28 c CB -0.902 41.578 42.510 -0.050 0.000 2.031 28 c HN 0.542 nan 8.230 nan 0.000 0.474 29 E N 0.235 120.448 120.200 0.023 0.000 2.072 29 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 29 E C 2.377 179.007 176.600 0.050 0.000 0.982 29 E CA 0.949 57.365 56.400 0.026 0.000 0.803 29 E CB -0.196 29.517 29.700 0.021 0.000 0.755 29 E HN 0.697 nan 8.360 nan 0.000 0.453 30 R N -0.966 119.583 120.500 0.081 0.000 2.210 30 R HA -0.018 4.322 4.340 -0.000 0.000 0.203 30 R C 1.250 177.660 176.300 0.182 0.000 1.010 30 R CA 1.013 57.180 56.100 0.111 0.000 1.008 30 R CB 0.060 30.426 30.300 0.111 0.000 0.923 30 R HN 0.227 nan 8.270 nan 0.000 0.469 31 Y N 0.185 120.499 120.300 0.024 0.000 3.087 31 Y HA 0.264 4.814 4.550 -0.000 0.000 0.227 31 Y C 1.807 177.723 175.900 0.027 0.000 1.015 31 Y CA -0.215 57.901 58.100 0.027 0.000 1.399 31 Y CB 0.199 38.666 38.460 0.012 0.000 1.483 31 Y HN -0.170 nan 8.280 nan 0.000 0.420 32 L N 0.537 121.812 121.223 0.086 0.000 2.013 32 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 32 L C 2.614 179.547 176.870 0.104 0.000 1.073 32 L CA 1.719 56.564 54.840 0.008 0.000 0.753 32 L CB -1.068 40.964 42.059 -0.046 0.000 0.890 32 L HN 0.386 nan 8.230 nan 0.000 0.432 33 A N 0.642 123.489 122.820 0.045 0.000 1.845 33 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 33 A C 0.159 177.753 177.584 0.017 0.000 1.195 33 A CA 1.712 53.768 52.037 0.032 0.000 0.616 33 A CB -1.936 17.069 19.000 0.008 0.000 0.832 33 A HN 0.345 nan 8.150 nan 0.000 0.443 34 P HA -0.091 nan 4.420 nan 0.000 0.225 34 P C 0.448 177.714 177.300 -0.056 0.000 1.148 34 P CA 1.171 64.252 63.100 -0.031 0.000 0.779 34 P CB 0.019 31.700 31.700 -0.032 0.000 0.780 35 K N -0.976 119.380 120.400 -0.073 0.000 2.374 35 K HA 0.324 4.644 4.320 -0.000 0.000 0.196 35 K C 1.257 177.866 176.600 0.014 0.000 1.023 35 K CA 0.501 56.756 56.287 -0.053 0.000 1.103 35 K CB -0.658 31.734 32.500 -0.181 0.000 0.848 35 K HN 0.155 nan 8.250 nan 0.000 0.528 36 G N 0.560 109.382 108.800 0.038 0.000 2.136 36 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 36 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 36 G C -0.218 174.645 174.900 -0.063 0.000 0.989 36 G CA -0.346 44.736 45.100 -0.030 0.000 0.682 36 G HN 0.169 nan 8.290 nan 0.000 0.522 37 F N 0.481 120.412 119.950 -0.033 0.000 2.471 37 F HA 0.502 5.029 4.527 -0.000 0.000 0.353 37 F C 1.810 177.612 175.800 0.004 0.000 1.113 37 F CA 0.851 58.846 58.000 -0.007 0.000 1.262 37 F CB 1.268 40.277 39.000 0.016 0.000 1.146 37 F HN -0.005 nan 8.300 nan 0.000 0.578 38 G N 1.158 110.048 108.800 0.150 0.000 2.453 38 G HA2 0.408 4.368 3.960 -0.000 0.000 0.215 38 G HA3 0.408 4.368 3.960 -0.000 0.000 0.215 38 G C 0.485 175.511 174.900 0.210 0.000 1.147 38 G CA 0.655 45.847 45.100 0.154 0.000 0.802 38 G HN 1.032 nan 8.290 nan 0.000 0.535 39 G N -2.025 106.928 108.800 0.255 0.000 2.430 39 G HA2 0.458 4.418 3.960 -0.000 0.000 0.300 39 G HA3 0.458 4.418 3.960 -0.000 0.000 0.300 39 G C -2.209 172.829 174.900 0.231 0.000 1.330 39 G CA -0.226 45.035 45.100 0.269 0.000 0.813 39 G HN 0.499 nan 8.290 nan 0.000 0.487 40 V N 0.346 120.382 119.914 0.203 0.000 2.638 40 V HA 0.576 4.696 4.120 -0.000 0.000 0.306 40 V C -0.244 176.003 176.094 0.255 0.000 1.052 40 V CA -0.669 61.711 62.300 0.133 0.000 0.885 40 V CB 1.680 33.486 31.823 -0.028 0.000 0.999 40 V HN 0.869 nan 8.190 nan 0.000 0.424 41 Q N 3.380 123.341 119.800 0.269 0.000 2.303 41 Q HA 0.643 4.983 4.340 -0.000 0.000 0.257 41 Q C -0.684 175.520 176.000 0.340 0.000 0.941 41 Q CA -0.449 55.542 55.803 0.314 0.000 0.931 41 Q CB 1.837 30.708 28.738 0.221 0.000 1.215 41 Q HN 0.812 nan 8.270 nan 0.000 0.437 42 V N 1.074 121.175 119.914 0.311 0.000 2.966 42 V HA 0.609 4.729 4.120 -0.000 0.000 0.317 42 V C 0.074 176.446 176.094 0.463 0.000 1.070 42 V CA -0.829 61.719 62.300 0.414 0.000 1.008 42 V CB 1.676 33.732 31.823 0.388 0.000 1.070 42 V HN 0.768 nan 8.190 nan 0.000 0.457 43 S N 2.508 118.531 115.700 0.539 0.000 2.600 43 S HA 0.366 4.836 4.470 -0.000 0.000 0.265 43 S C -2.407 172.412 174.600 0.365 0.000 1.325 43 S CA -0.436 58.020 58.200 0.427 0.000 1.002 43 S CB 0.261 63.658 63.200 0.329 0.000 0.921 43 S HN 0.839 nan 8.310 nan 0.000 0.554 44 P HA 0.026 nan 4.420 nan 0.000 0.256 44 P C -1.865 175.572 177.300 0.228 0.000 1.173 44 P CA -0.597 62.585 63.100 0.136 0.000 0.768 44 P CB 0.072 31.727 31.700 -0.075 0.000 0.758 45 P HA -0.026 nan 4.420 nan 0.000 0.255 45 P C -0.252 177.138 177.300 0.151 0.000 1.248 45 P CA 0.455 63.722 63.100 0.279 0.000 0.807 45 P CB 0.066 31.655 31.700 -0.185 0.000 1.150 46 N N -0.326 118.444 118.700 0.118 0.000 2.508 46 N HA 0.125 4.865 4.740 -0.000 0.000 0.285 46 N C -0.128 175.364 175.510 -0.030 0.000 1.144 46 N CA -0.865 52.203 53.050 0.029 0.000 0.978 46 N CB 0.761 39.204 38.487 -0.073 0.000 1.180 46 N HN -0.158 nan 8.380 nan 0.000 0.484 47 E N 0.816 120.977 120.200 -0.063 0.000 2.529 47 E HA -0.135 4.215 4.350 -0.000 0.000 0.259 47 E C -0.610 175.905 176.600 -0.142 0.000 0.966 47 E CA 0.044 56.390 56.400 -0.090 0.000 0.937 47 E CB 0.234 29.878 29.700 -0.092 0.000 0.923 47 E HN 0.778 nan 8.360 nan 0.000 0.468 48 N N 2.008 120.625 118.700 -0.138 0.000 2.577 48 N HA 0.263 5.003 4.740 -0.000 0.000 0.285 48 N C -0.876 174.518 175.510 -0.193 0.000 1.309 48 N CA -0.781 52.172 53.050 -0.162 0.000 0.798 48 N CB 1.031 39.444 38.487 -0.124 0.000 1.463 48 N HN 0.185 nan 8.380 nan 0.000 0.518 49 V N 0.245 120.040 119.914 -0.198 0.000 2.637 49 V HA 0.327 4.447 4.120 -0.000 0.000 0.296 49 V C 0.642 176.664 176.094 -0.119 0.000 1.046 49 V CA -0.549 61.650 62.300 -0.168 0.000 1.066 49 V CB 0.648 32.426 31.823 -0.075 0.000 0.968 49 V HN 0.844 nan 8.190 nan 0.000 0.483 50 A N 6.960 129.732 122.820 -0.080 0.000 2.316 50 A HA 0.594 4.914 4.320 -0.000 0.000 0.311 50 A C -0.302 177.123 177.584 -0.264 0.000 1.339 50 A CA -0.408 51.500 52.037 -0.214 0.000 0.960 50 A CB -0.247 18.687 19.000 -0.110 0.000 1.152 50 A HN 0.605 nan 8.150 nan 0.000 0.547 51 I N 3.175 123.506 120.570 -0.399 0.000 2.331 51 I HA 0.181 4.351 4.170 -0.000 0.000 0.292 51 I C -0.095 175.704 176.117 -0.530 0.000 0.998 51 I CA 0.129 61.244 61.300 -0.310 0.000 1.267 51 I CB 0.708 38.545 38.000 -0.271 0.000 1.386 51 I HN 0.742 nan 8.210 nan 0.000 0.476 52 Y N 3.576 123.827 120.300 -0.083 0.000 2.458 52 Y HA 0.134 4.683 4.550 -0.000 0.000 0.254 52 Y C 0.919 176.823 175.900 0.007 0.000 1.120 52 Y CA -0.131 57.960 58.100 -0.016 0.000 1.282 52 Y CB 0.379 38.877 38.460 0.063 0.000 1.109 52 Y HN 0.559 nan 8.280 nan 0.000 0.526 53 N N 1.512 120.240 118.700 0.046 0.000 2.617 53 N HA 0.235 4.975 4.740 -0.000 0.000 0.263 53 N C -2.862 172.588 175.510 -0.099 0.000 1.074 53 N CA -1.877 51.156 53.050 -0.028 0.000 0.841 53 N CB 1.042 39.541 38.487 0.019 0.000 1.221 53 N HN -0.151 nan 8.380 nan 0.000 0.529 54 P HA 0.123 nan 4.420 nan 0.000 0.274 54 P C -0.539 176.578 177.300 -0.306 0.000 1.260 54 P CA -0.342 62.431 63.100 -0.545 0.000 0.793 54 P CB 0.646 31.554 31.700 -1.320 0.000 1.048 55 F N 2.283 122.050 119.950 -0.304 0.000 2.490 55 F HA 0.099 4.626 4.527 -0.000 0.000 0.357 55 F C 0.707 176.476 175.800 -0.052 0.000 1.166 55 F CA -0.410 57.548 58.000 -0.071 0.000 1.116 55 F CB -0.018 39.031 39.000 0.082 0.000 1.171 55 F HN 0.206 nan 8.300 nan 0.000 0.576 56 R N 3.490 123.527 120.500 -0.773 0.000 3.092 56 R HA -0.157 4.183 4.340 -0.000 0.000 0.245 56 R C -2.661 173.388 176.300 -0.419 0.000 0.881 56 R CA 0.192 55.858 56.100 -0.723 0.000 0.614 56 R CB -2.436 27.311 30.300 -0.921 0.000 1.128 56 R HN 0.418 nan 8.270 nan 0.000 0.483 57 P HA -0.028 nan 4.420 nan 0.000 0.272 57 P C 1.503 178.493 177.300 -0.518 0.000 1.230 57 P CA -0.489 62.276 63.100 -0.559 0.000 0.788 57 P CB 0.260 31.093 31.700 -1.445 0.000 0.949 58 W N 2.938 124.097 121.300 -0.234 0.000 2.363 58 W HA -0.120 4.540 4.660 -0.000 0.000 0.296 58 W C 1.694 178.301 176.519 0.148 0.000 1.212 58 W CA 0.866 58.215 57.345 0.006 0.000 1.260 58 W CB -1.837 27.802 29.460 0.298 0.000 1.131 58 W HN 0.465 nan 8.180 nan 0.000 0.530 59 W N 3.437 124.311 121.300 -0.709 0.000 2.961 59 W HA 0.005 4.665 4.660 0.000 0.000 0.240 59 W C 1.576 178.014 176.519 -0.135 0.000 1.305 59 W CA 0.914 57.928 57.345 -0.551 0.000 1.465 59 W CB -1.377 27.407 29.460 -1.127 0.000 1.135 59 W HN 0.225 nan 8.180 nan 0.000 0.688 60 E N 1.827 121.958 120.200 -0.115 0.000 2.268 60 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 60 E C 1.802 178.404 176.600 0.002 0.000 0.995 60 E CA 0.790 57.167 56.400 -0.038 0.000 0.836 60 E CB -0.552 28.988 29.700 -0.265 0.000 0.763 60 E HN 0.257 nan 8.360 nan 0.000 0.491 61 R N -0.371 120.118 120.500 -0.019 0.000 2.339 61 R HA -0.023 4.317 4.340 -0.000 0.000 0.199 61 R C 0.338 176.450 176.300 -0.313 0.000 1.018 61 R CA 0.629 56.635 56.100 -0.157 0.000 1.036 61 R CB -0.030 30.157 30.300 -0.189 0.000 0.899 61 R HN 0.314 nan 8.270 nan 0.000 0.473 62 Y N 0.264 120.678 120.300 0.189 0.000 2.658 62 Y HA 0.223 4.773 4.550 -0.000 0.000 0.276 62 Y C 0.122 176.168 175.900 0.244 0.000 1.167 62 Y CA -0.112 58.130 58.100 0.236 0.000 1.230 62 Y CB 0.601 39.236 38.460 0.292 0.000 1.144 62 Y HN -0.108 nan 8.280 nan 0.000 0.529 63 Q N 1.246 121.157 119.800 0.183 0.000 2.798 63 Q HA 0.283 4.623 4.340 -0.000 0.000 0.250 63 Q C -2.730 173.268 176.000 -0.003 0.000 1.006 63 Q CA -2.054 53.832 55.803 0.138 0.000 0.759 63 Q CB 1.435 30.243 28.738 0.116 0.000 1.201 63 Q HN 0.074 nan 8.270 nan 0.000 0.486 64 P HA -0.042 nan 4.420 nan 0.000 0.269 64 P C 0.130 177.291 177.300 -0.232 0.000 1.209 64 P CA 0.107 63.108 63.100 -0.165 0.000 0.776 64 P CB 1.208 32.792 31.700 -0.193 0.000 0.876 65 V N 0.520 120.265 119.914 -0.281 0.000 3.473 65 V HA 0.127 4.247 4.120 -0.000 0.000 0.253 65 V C 0.753 176.737 176.094 -0.183 0.000 1.340 65 V CA 1.353 63.503 62.300 -0.250 0.000 1.103 65 V CB 0.522 32.055 31.823 -0.484 0.000 0.881 65 V HN 0.816 nan 8.190 nan 0.000 0.451 66 S N -2.104 113.383 115.700 -0.355 0.000 2.683 66 S HA 0.437 4.907 4.470 -0.000 0.000 0.269 66 S C -0.946 173.261 174.600 -0.655 0.000 1.165 66 S CA -0.363 57.546 58.200 -0.485 0.000 0.840 66 S CB 0.818 63.889 63.200 -0.216 0.000 1.169 66 S HN -0.042 nan 8.310 nan 0.000 0.490 67 Y N 0.966 121.103 120.300 -0.270 0.000 2.607 67 Y HA 0.467 5.017 4.550 -0.000 0.000 0.266 67 Y C 0.570 176.352 175.900 -0.196 0.000 1.178 67 Y CA -0.823 57.020 58.100 -0.429 0.000 1.226 67 Y CB -0.128 38.003 38.460 -0.548 0.000 1.144 67 Y HN 0.390 nan 8.280 nan 0.000 0.528 68 K N 1.246 121.628 120.400 -0.029 0.000 2.350 68 K HA 0.230 4.549 4.320 -0.000 0.000 0.279 68 K C -0.223 176.406 176.600 0.047 0.000 1.027 68 K CA -0.126 56.171 56.287 0.018 0.000 0.969 68 K CB 0.745 33.248 32.500 0.005 0.000 0.954 68 K HN 0.164 nan 8.250 nan 0.000 0.474 69 L N 3.737 125.011 121.223 0.085 0.000 2.384 69 L HA 0.165 4.505 4.340 -0.000 0.000 0.258 69 L C -0.223 176.728 176.870 0.135 0.000 1.266 69 L CA -0.548 54.342 54.840 0.084 0.000 1.162 69 L CB -0.179 41.895 42.059 0.024 0.000 1.375 69 L HN 0.596 nan 8.230 nan 0.000 0.420 70 c N 2.467 121.133 118.600 0.109 0.000 2.781 70 c HA 0.663 5.233 4.570 -0.000 0.000 0.348 70 c C 0.359 174.481 174.090 0.054 0.000 1.051 70 c CA -0.078 56.310 56.329 0.099 0.000 1.347 70 c CB 0.497 43.047 42.510 0.067 0.000 1.846 70 c HN 0.849 nan 8.230 nan 0.000 0.473 71 T N 1.975 116.557 114.554 0.047 0.000 2.696 71 T HA 0.503 4.853 4.350 -0.000 0.000 0.291 71 T C 0.921 175.553 174.700 -0.115 0.000 1.095 71 T CA -0.665 61.413 62.100 -0.037 0.000 1.026 71 T CB 1.066 69.917 68.868 -0.028 0.000 1.390 71 T HN 0.541 nan 8.240 nan 0.000 0.513 72 R N 0.106 120.509 120.500 -0.162 0.000 2.285 72 R HA 0.048 4.388 4.340 -0.000 0.000 0.213 72 R C 1.951 178.079 176.300 -0.287 0.000 1.068 72 R CA 0.865 56.853 56.100 -0.186 0.000 1.004 72 R CB -0.368 29.823 30.300 -0.181 0.000 0.873 72 R HN 0.552 nan 8.270 nan 0.000 0.467 73 S N -0.516 114.894 115.700 -0.484 0.000 2.496 73 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 73 S C 0.750 174.774 174.600 -0.960 0.000 0.996 73 S CA 0.635 58.284 58.200 -0.918 0.000 0.927 73 S CB 0.786 62.892 63.200 -1.823 0.000 0.774 73 S HN 0.634 nan 8.310 nan 0.000 0.524 74 G N 1.449 109.944 108.800 -0.508 0.000 2.369 74 G HA2 0.151 4.111 3.960 -0.000 0.000 0.307 74 G HA3 0.151 4.111 3.960 -0.000 0.000 0.307 74 G C -1.354 173.668 174.900 0.203 0.000 1.327 74 G CA -0.681 44.359 45.100 -0.098 0.000 0.963 74 G HN 0.333 nan 8.290 nan 0.000 0.590 75 N N -0.746 118.121 118.700 0.278 0.000 2.566 75 N HA 0.445 5.185 4.740 -0.000 0.000 0.299 75 N C 1.073 176.795 175.510 0.353 0.000 1.277 75 N CA 0.087 53.295 53.050 0.263 0.000 0.965 75 N CB 0.902 39.490 38.487 0.170 0.000 1.142 75 N HN 0.751 nan 8.380 nan 0.000 0.596 76 E N -0.938 119.417 120.200 0.258 0.000 2.110 76 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 76 E C 0.355 177.109 176.600 0.257 0.000 0.988 76 E CA 1.255 57.813 56.400 0.264 0.000 0.804 76 E CB -0.103 29.727 29.700 0.217 0.000 0.745 76 E HN 0.517 nan 8.360 nan 0.000 0.458 77 D N 0.603 121.126 120.400 0.205 0.000 2.097 77 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 77 D C 1.744 178.144 176.300 0.167 0.000 0.989 77 D CA 1.153 55.249 54.000 0.161 0.000 0.827 77 D CB -0.156 40.721 40.800 0.128 0.000 0.966 77 D HN 0.364 nan 8.370 nan 0.000 0.456 78 E N -0.163 120.176 120.200 0.230 0.000 2.106 78 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 78 E C 1.881 178.621 176.600 0.233 0.000 0.984 78 E CA 0.351 56.908 56.400 0.262 0.000 0.806 78 E CB -0.152 29.761 29.700 0.355 0.000 0.750 78 E HN 0.204 nan 8.360 nan 0.000 0.458 79 F N 1.741 121.724 119.950 0.055 0.000 2.113 79 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 79 F C 2.200 177.859 175.800 -0.236 0.000 1.103 79 F CA 1.443 59.215 58.000 -0.380 0.000 1.248 79 F CB 0.058 38.801 39.000 -0.428 0.000 0.999 79 F HN -0.222 nan 8.300 nan 0.000 0.475 80 R N -0.003 120.481 120.500 -0.027 0.000 2.091 80 R HA -0.225 4.115 4.340 -0.000 0.000 0.238 80 R C 2.070 178.288 176.300 -0.136 0.000 1.136 80 R CA 1.674 57.722 56.100 -0.086 0.000 0.959 80 R CB -0.824 29.511 30.300 0.058 0.000 0.856 80 R HN 0.344 nan 8.270 nan 0.000 0.437 81 N N 0.826 119.489 118.700 -0.062 0.000 2.104 81 N HA -0.208 4.532 4.740 -0.000 0.000 0.190 81 N C 1.779 177.219 175.510 -0.115 0.000 1.024 81 N CA 1.559 54.583 53.050 -0.043 0.000 0.853 81 N CB -0.066 38.431 38.487 0.017 0.000 1.008 81 N HN 0.160 nan 8.380 nan 0.000 0.424 82 M N -0.297 119.189 119.600 -0.191 0.000 2.086 82 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 82 M C 1.531 177.611 176.300 -0.367 0.000 1.067 82 M CA 1.448 56.603 55.300 -0.242 0.000 1.116 82 M CB -0.130 32.306 32.600 -0.273 0.000 1.348 82 M HN 0.069 nan 8.290 nan 0.000 0.407 83 V N 0.601 120.186 119.914 -0.550 0.000 2.343 83 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 83 V C 2.347 178.135 176.094 -0.509 0.000 1.051 83 V CA 2.342 64.296 62.300 -0.578 0.000 1.036 83 V CB -1.273 30.160 31.823 -0.650 0.000 0.654 83 V HN 0.588 nan 8.190 nan 0.000 0.451 84 T N -0.252 114.108 114.554 -0.324 0.000 2.674 84 T HA -0.199 4.151 4.350 -0.000 0.000 0.265 84 T C 2.089 176.698 174.700 -0.152 0.000 1.039 84 T CA 1.679 63.682 62.100 -0.162 0.000 1.150 84 T CB -0.238 68.686 68.868 0.094 0.000 0.864 84 T HN 0.419 nan 8.240 nan 0.000 0.427 85 R N 0.041 120.466 120.500 -0.125 0.000 2.081 85 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 85 R C 2.791 179.007 176.300 -0.140 0.000 1.131 85 R CA 1.302 57.349 56.100 -0.089 0.000 0.960 85 R CB -0.723 29.543 30.300 -0.058 0.000 0.856 85 R HN 0.375 nan 8.270 nan 0.000 0.436 86 c N 0.273 118.746 118.600 -0.212 0.000 2.446 86 c HA -0.039 4.531 4.570 -0.000 0.000 0.277 86 c C 2.194 176.109 174.090 -0.292 0.000 1.275 86 c CA 0.681 56.877 56.329 -0.221 0.000 1.727 86 c CB -1.146 41.217 42.510 -0.245 0.000 2.010 86 c HN 0.571 nan 8.230 nan 0.000 0.486 87 N N 1.082 119.489 118.700 -0.488 0.000 2.166 87 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 87 N C 1.214 176.449 175.510 -0.459 0.000 1.019 87 N CA 0.931 53.545 53.050 -0.725 0.000 0.856 87 N CB -0.156 37.351 38.487 -1.633 0.000 0.993 87 N HN 0.516 nan 8.380 nan 0.000 0.426 88 N N 0.248 118.815 118.700 -0.221 0.000 2.453 88 N HA -0.072 4.668 4.740 -0.000 0.000 0.183 88 N C 0.938 176.430 175.510 -0.031 0.000 1.041 88 N CA 0.409 53.464 53.050 0.009 0.000 0.900 88 N CB 0.170 38.708 38.487 0.085 0.000 0.961 88 N HN 0.071 nan 8.380 nan 0.000 0.443 89 V N -0.624 119.242 119.914 -0.080 0.000 3.483 89 V HA 0.304 4.424 4.120 -0.000 0.000 0.301 89 V C 0.950 177.006 176.094 -0.062 0.000 1.389 89 V CA 0.621 62.889 62.300 -0.052 0.000 1.101 89 V CB -0.397 31.402 31.823 -0.040 0.000 0.971 89 V HN 0.393 nan 8.190 nan 0.000 0.434 90 G N 0.517 109.254 108.800 -0.105 0.000 2.136 90 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.242 90 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.242 90 G C 0.066 174.917 174.900 -0.080 0.000 0.989 90 G CA 0.261 45.303 45.100 -0.096 0.000 0.682 90 G HN 0.637 nan 8.290 nan 0.000 0.522 91 V N 0.814 120.663 119.914 -0.108 0.000 2.357 91 V HA 0.596 4.716 4.120 -0.000 0.000 0.284 91 V C 0.840 176.847 176.094 -0.144 0.000 1.018 91 V CA -0.989 61.268 62.300 -0.071 0.000 0.841 91 V CB 1.365 33.158 31.823 -0.050 0.000 0.991 91 V HN 0.359 nan 8.190 nan 0.000 0.437 92 R N 3.845 124.283 120.500 -0.103 0.000 2.679 92 R HA 0.490 4.830 4.340 -0.000 0.000 0.269 92 R C -0.434 175.641 176.300 -0.376 0.000 1.076 92 R CA -0.172 55.779 56.100 -0.248 0.000 1.160 92 R CB 0.421 30.575 30.300 -0.243 0.000 1.054 92 R HN 0.494 nan 8.270 nan 0.000 0.507 93 I N 2.988 123.213 120.570 -0.575 0.000 2.436 93 I HA 0.253 4.423 4.170 -0.000 0.000 0.289 93 I C -0.973 174.722 176.117 -0.703 0.000 1.010 93 I CA -0.704 60.300 61.300 -0.493 0.000 1.098 93 I CB 1.383 39.128 38.000 -0.425 0.000 1.266 93 I HN 0.515 nan 8.210 nan 0.000 0.434 94 Y N 4.963 125.233 120.300 -0.049 0.000 2.350 94 Y HA 0.505 5.055 4.550 -0.000 0.000 0.338 94 Y C 0.302 176.177 175.900 -0.042 0.000 0.961 94 Y CA -1.095 56.969 58.100 -0.061 0.000 1.100 94 Y CB 1.993 40.548 38.460 0.159 0.000 1.179 94 Y HN 0.370 nan 8.280 nan 0.000 0.454 95 V N -0.421 119.477 119.914 -0.027 0.000 2.612 95 V HA 0.489 4.609 4.120 -0.000 0.000 0.301 95 V C -0.270 175.928 176.094 0.173 0.000 1.046 95 V CA -0.756 61.611 62.300 0.111 0.000 0.946 95 V CB 1.911 33.808 31.823 0.122 0.000 1.003 95 V HN 0.726 nan 8.190 nan 0.000 0.459 96 D N 3.836 124.351 120.400 0.191 0.000 2.359 96 D HA 0.443 5.083 4.640 -0.000 0.000 0.250 96 D C 0.193 176.616 176.300 0.205 0.000 1.264 96 D CA 0.311 54.418 54.000 0.178 0.000 0.911 96 D CB 0.963 41.898 40.800 0.227 0.000 1.056 96 D HN 1.070 nan 8.370 nan 0.000 0.499 97 A N 3.974 126.899 122.820 0.175 0.000 2.269 97 A HA 0.413 4.733 4.320 -0.000 0.000 0.302 97 A C -0.184 177.472 177.584 0.120 0.000 1.266 97 A CA -0.643 51.488 52.037 0.157 0.000 0.894 97 A CB 0.731 19.739 19.000 0.014 0.000 1.147 97 A HN 0.366 nan 8.150 nan 0.000 0.537 98 V N 5.457 125.448 119.914 0.129 0.000 2.259 98 V HA 0.194 4.314 4.120 -0.000 0.000 0.267 98 V C 0.765 176.834 176.094 -0.042 0.000 1.051 98 V CA 0.177 62.499 62.300 0.037 0.000 0.830 98 V CB -0.141 31.706 31.823 0.039 0.000 1.080 98 V HN 0.882 nan 8.190 nan 0.000 0.467 99 I N 0.581 121.114 120.570 -0.061 0.000 4.154 99 I HA 0.350 4.520 4.170 -0.000 0.000 0.334 99 I C 1.487 177.560 176.117 -0.074 0.000 1.371 99 I CA 0.242 61.514 61.300 -0.047 0.000 1.110 99 I CB 0.198 38.171 38.000 -0.045 0.000 1.085 99 I HN 0.470 nan 8.210 nan 0.000 0.398 100 N N 1.631 120.263 118.700 -0.114 0.000 2.354 100 N HA -0.077 4.663 4.740 -0.000 0.000 0.179 100 N C 0.578 176.105 175.510 0.028 0.000 1.021 100 N CA 1.109 54.161 53.050 0.003 0.000 0.887 100 N CB 0.159 38.737 38.487 0.152 0.000 0.974 100 N HN 0.704 nan 8.380 nan 0.000 0.437 101 H N -3.705 115.383 119.070 0.030 0.000 2.933 101 H HA 0.305 4.861 4.556 0.000 0.000 0.310 101 H C -0.457 174.862 175.328 -0.015 0.000 1.351 101 H CA -0.890 55.167 56.048 0.016 0.000 1.137 101 H CB 0.544 30.316 29.762 0.018 0.000 1.853 101 H HN -0.182 nan 8.280 nan 0.000 0.539 102 M N 0.729 120.408 119.600 0.132 0.000 2.325 102 M HA 0.308 4.788 4.480 -0.000 0.000 0.220 102 M C 0.989 177.356 176.300 0.111 0.000 0.728 102 M CA -0.303 54.957 55.300 -0.067 0.000 1.790 102 M CB 0.074 32.386 32.600 -0.480 0.000 1.150 102 M HN 0.864 nan 8.290 nan 0.000 0.887 103 C N -0.077 119.267 119.300 0.073 0.000 2.411 103 C HA 0.822 5.282 4.460 -0.000 0.000 0.358 103 C C 0.963 176.017 174.990 0.106 0.000 1.349 103 C CA -0.931 58.163 59.018 0.127 0.000 2.326 103 C CB -0.342 27.480 27.740 0.137 0.000 2.166 103 C HN 0.831 nan 8.230 nan 0.000 0.609 104 G N 1.645 110.489 108.800 0.074 0.000 2.380 104 G HA2 0.162 4.122 3.960 -0.000 0.000 0.242 104 G HA3 0.162 4.122 3.960 -0.000 0.000 0.242 104 G C 0.924 175.845 174.900 0.035 0.000 1.298 104 G CA 0.253 45.365 45.100 0.020 0.000 0.878 104 G HN 1.045 nan 8.290 nan 0.000 0.542 105 N N 1.546 120.237 118.700 -0.015 0.000 2.453 105 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 105 N C 1.596 177.087 175.510 -0.032 0.000 1.041 105 N CA 1.034 54.064 53.050 -0.034 0.000 0.900 105 N CB 0.066 38.512 38.487 -0.067 0.000 0.961 105 N HN 0.422 nan 8.380 nan 0.000 0.443 106 A N 0.648 123.454 122.820 -0.022 0.000 2.308 106 A HA 0.311 4.631 4.320 -0.000 0.000 0.217 106 A C 0.651 178.231 177.584 -0.007 0.000 1.216 106 A CA -0.390 51.633 52.037 -0.024 0.000 0.864 106 A CB 0.123 19.107 19.000 -0.028 0.000 0.902 106 A HN 0.095 nan 8.150 nan 0.000 0.499 107 V N 1.437 121.366 119.914 0.025 0.000 2.715 107 V HA 0.105 4.225 4.120 -0.000 0.000 0.299 107 V C 0.736 176.820 176.094 -0.017 0.000 1.054 107 V CA -0.093 62.242 62.300 0.058 0.000 1.077 107 V CB 1.257 33.187 31.823 0.178 0.000 0.972 107 V HN 0.408 nan 8.190 nan 0.000 0.484 108 S N 3.490 119.163 115.700 -0.044 0.000 2.549 108 S HA 0.453 4.923 4.470 -0.000 0.000 0.279 108 S C 0.496 174.901 174.600 -0.326 0.000 1.321 108 S CA -0.229 57.891 58.200 -0.133 0.000 1.054 108 S CB 0.961 64.110 63.200 -0.085 0.000 0.899 108 S HN 1.052 nan 8.310 nan 0.000 0.497 109 A N 2.668 125.255 122.820 -0.388 0.000 2.406 109 A HA 0.710 5.030 4.320 -0.000 0.000 0.243 109 A C 1.024 178.272 177.584 -0.560 0.000 1.082 109 A CA 0.448 52.092 52.037 -0.654 0.000 0.786 109 A CB -0.352 18.389 19.000 -0.431 0.000 1.029 109 A HN 1.366 nan 8.150 nan 0.000 0.495 110 G N -0.912 107.433 108.800 -0.758 0.000 2.291 110 G HA2 0.380 4.340 3.960 -0.000 0.000 0.249 110 G HA3 0.380 4.340 3.960 -0.000 0.000 0.249 110 G C 0.041 174.796 174.900 -0.242 0.000 1.340 110 G CA 0.600 45.532 45.100 -0.280 0.000 1.017 110 G HN 1.796 nan 8.290 nan 0.000 0.470 111 T N -2.318 112.250 114.554 0.023 0.000 3.331 111 T HA 0.534 4.884 4.350 -0.000 0.000 0.282 111 T C 0.731 175.566 174.700 0.225 0.000 1.010 111 T CA 0.971 63.177 62.100 0.176 0.000 0.928 111 T CB 0.703 69.674 68.868 0.172 0.000 1.154 111 T HN 1.179 nan 8.240 nan 0.000 0.516 112 S N 2.852 118.709 115.700 0.262 0.000 4.183 112 S HA 0.436 4.906 4.470 -0.000 0.000 0.195 112 S C 0.301 175.088 174.600 0.313 0.000 1.421 112 S CA -0.544 57.825 58.200 0.282 0.000 0.920 112 S CB -1.029 62.326 63.200 0.258 0.000 1.525 112 S HN 0.772 nan 8.310 nan 0.000 0.447 113 S N 0.859 116.689 115.700 0.217 0.000 2.632 113 S HA 0.403 4.873 4.470 -0.000 0.000 0.289 113 S C 1.049 175.667 174.600 0.030 0.000 1.115 113 S CA -0.362 57.874 58.200 0.059 0.000 0.889 113 S CB 1.095 64.302 63.200 0.013 0.000 1.116 113 S HN 0.447 nan 8.310 nan 0.000 0.486 114 T N -3.177 111.358 114.554 -0.032 0.000 3.098 114 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 114 T C 0.991 175.693 174.700 0.003 0.000 1.145 114 T CA 0.842 62.926 62.100 -0.027 0.000 1.092 114 T CB -0.651 68.179 68.868 -0.063 0.000 0.908 114 T HN 0.643 nan 8.240 nan 0.000 0.526 115 c N 0.334 118.944 118.600 0.017 0.000 3.657 115 c HA 0.671 5.241 4.570 -0.000 0.000 0.291 115 c C 2.003 176.127 174.090 0.056 0.000 1.572 115 c CA -0.083 56.266 56.329 0.034 0.000 1.818 115 c CB -0.727 41.798 42.510 0.026 0.000 2.903 115 c HN 0.871 nan 8.230 nan 0.000 0.632 116 G N 1.492 110.337 108.800 0.076 0.000 2.179 116 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.260 116 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.260 116 G C 0.225 175.206 174.900 0.135 0.000 0.977 116 G CA 0.583 45.745 45.100 0.104 0.000 0.641 116 G HN 0.587 nan 8.290 nan 0.000 0.533 117 S N -0.138 115.639 115.700 0.127 0.000 2.560 117 S HA 0.404 4.874 4.470 -0.000 0.000 0.284 117 S C 0.024 174.795 174.600 0.284 0.000 1.327 117 S CA -0.235 58.062 58.200 0.163 0.000 1.055 117 S CB 0.761 64.020 63.200 0.099 0.000 0.868 117 S HN 0.585 nan 8.310 nan 0.000 0.506 118 Y N 4.158 124.553 120.300 0.158 0.000 2.301 118 Y HA 0.550 5.100 4.550 -0.000 0.000 0.325 118 Y C -0.498 175.535 175.900 0.222 0.000 1.203 118 Y CA -0.914 57.270 58.100 0.140 0.000 1.255 118 Y CB 0.382 38.857 38.460 0.024 0.000 1.232 118 Y HN 0.571 nan 8.280 nan 0.000 0.501 119 F N 3.223 122.544 119.950 -1.047 0.000 2.665 119 F HA 0.424 4.951 4.527 -0.000 0.000 0.308 119 F C -1.919 173.205 175.800 -1.127 0.000 1.112 119 F CA -1.495 55.933 58.000 -0.954 0.000 0.972 119 F CB 1.244 39.886 39.000 -0.596 0.000 1.295 119 F HN 0.426 nan 8.300 nan 0.000 0.440 120 N N 3.185 121.320 118.700 -0.940 0.000 2.690 120 N HA 0.398 5.138 4.740 -0.000 0.000 0.255 120 N C -2.531 172.675 175.510 -0.506 0.000 1.195 120 N CA -2.126 50.517 53.050 -0.679 0.000 0.790 120 N CB 1.857 40.114 38.487 -0.384 0.000 1.216 120 N HN 0.290 nan 8.380 nan 0.000 0.528 121 P HA -0.072 nan 4.420 nan 0.000 0.216 121 P C 1.347 178.547 177.300 -0.167 0.000 1.153 121 P CA 1.367 64.364 63.100 -0.172 0.000 0.858 121 P CB 0.184 31.877 31.700 -0.013 0.000 0.789 122 G N -0.186 108.515 108.800 -0.164 0.000 2.476 122 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 122 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 122 G C 1.375 176.200 174.900 -0.125 0.000 1.164 122 G CA 1.486 46.508 45.100 -0.129 0.000 0.768 122 G HN 0.455 nan 8.290 nan 0.000 0.560 123 S N -0.598 115.023 115.700 -0.132 0.000 2.582 123 S HA 0.279 4.749 4.470 -0.000 0.000 0.234 123 S C 0.909 175.454 174.600 -0.091 0.000 0.961 123 S CA -0.079 58.059 58.200 -0.102 0.000 0.953 123 S CB 0.278 63.435 63.200 -0.072 0.000 0.800 123 S HN 0.319 nan 8.310 nan 0.000 0.471 124 R N 1.071 121.494 120.500 -0.129 0.000 3.516 124 R HA -0.113 4.227 4.340 -0.000 0.000 0.271 124 R C -1.444 174.949 176.300 0.156 0.000 1.098 124 R CA 0.769 56.827 56.100 -0.070 0.000 0.732 124 R CB -2.937 27.315 30.300 -0.079 0.000 1.152 124 R HN 0.573 nan 8.270 nan 0.000 0.455 125 D N 0.289 120.652 120.400 -0.061 0.000 2.303 125 D HA 0.354 4.994 4.640 -0.000 0.000 0.236 125 D C -0.165 176.005 176.300 -0.217 0.000 1.068 125 D CA -0.199 53.816 54.000 0.025 0.000 0.830 125 D CB 0.499 41.314 40.800 0.025 0.000 1.109 125 D HN -0.041 nan 8.370 nan 0.000 0.496 126 F N 3.145 123.245 119.950 0.250 0.000 2.622 126 F HA 0.221 4.748 4.527 -0.000 0.000 0.338 126 F C -1.384 174.515 175.800 0.166 0.000 1.334 126 F CA -1.618 56.512 58.000 0.215 0.000 1.179 126 F CB 1.602 40.765 39.000 0.272 0.000 1.471 126 F HN 0.157 nan 8.300 nan 0.000 0.576 127 P HA -0.236 nan 4.420 nan 0.000 0.218 127 P C 1.364 178.747 177.300 0.139 0.000 1.146 127 P CA 1.433 64.650 63.100 0.195 0.000 0.813 127 P CB 0.329 32.148 31.700 0.198 0.000 0.778 128 A N -0.638 122.261 122.820 0.131 0.000 2.168 128 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 128 A C 2.253 179.826 177.584 -0.018 0.000 1.152 128 A CA 0.952 53.024 52.037 0.059 0.000 0.716 128 A CB -1.079 17.951 19.000 0.050 0.000 0.794 128 A HN 0.105 nan 8.150 nan 0.000 0.465 129 V N 0.335 120.214 119.914 -0.057 0.000 2.326 129 V HA 0.053 4.173 4.120 -0.000 0.000 0.238 129 V C -1.496 174.526 176.094 -0.120 0.000 1.038 129 V CA 1.231 63.400 62.300 -0.218 0.000 1.032 129 V CB -0.778 30.672 31.823 -0.622 0.000 0.675 129 V HN 0.483 nan 8.190 nan 0.000 0.467 130 P HA 0.439 nan 4.420 nan 0.000 0.295 130 P C -2.066 175.310 177.300 0.125 0.000 1.319 130 P CA -0.331 62.805 63.100 0.060 0.000 0.940 130 P CB 2.061 33.849 31.700 0.146 0.000 1.192 131 Y N -0.414 120.083 120.300 0.328 0.000 2.499 131 Y HA 0.512 5.062 4.550 0.000 0.000 0.347 131 Y C 0.938 177.089 175.900 0.420 0.000 0.987 131 Y CA -0.337 57.974 58.100 0.352 0.000 1.044 131 Y CB 2.358 40.979 38.460 0.269 0.000 1.245 131 Y HN 0.498 nan 8.280 nan 0.000 0.461 132 S N -0.892 115.148 115.700 0.566 0.000 2.851 132 S HA 0.593 5.063 4.470 -0.000 0.000 0.317 132 S C 1.033 175.898 174.600 0.441 0.000 1.144 132 S CA -0.281 58.179 58.200 0.433 0.000 0.862 132 S CB 1.176 64.569 63.200 0.321 0.000 1.259 132 S HN 0.836 nan 8.310 nan 0.000 0.564 133 G N -0.373 108.533 108.800 0.178 0.000 2.462 133 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.220 133 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.220 133 G C 0.715 175.651 174.900 0.060 0.000 1.121 133 G CA 0.356 45.492 45.100 0.060 0.000 0.758 133 G HN 0.768 nan 8.290 nan 0.000 0.559 134 W N 0.721 122.133 121.300 0.186 0.000 2.699 134 W HA 0.152 4.813 4.660 0.000 0.000 0.249 134 W C 1.188 177.754 176.519 0.078 0.000 1.280 134 W CA 0.085 57.497 57.345 0.111 0.000 1.345 134 W CB 0.441 29.938 29.460 0.060 0.000 1.128 134 W HN 0.108 nan 8.180 nan 0.000 0.642 135 D N -1.055 119.487 120.400 0.235 0.000 2.340 135 D HA 0.095 4.735 4.640 -0.000 0.000 0.217 135 D C -0.251 175.757 176.300 -0.487 0.000 1.081 135 D CA 0.415 54.358 54.000 -0.094 0.000 0.842 135 D CB -0.077 40.622 40.800 -0.168 0.000 0.934 135 D HN 0.036 nan 8.370 nan 0.000 0.511 136 F N 0.320 120.290 119.950 0.034 0.000 2.575 136 F HA 0.315 4.842 4.527 0.000 0.000 0.330 136 F C 1.414 177.232 175.800 0.030 0.000 1.056 136 F CA -1.054 56.943 58.000 -0.005 0.000 0.964 136 F CB 0.850 39.844 39.000 -0.011 0.000 1.258 136 F HN -0.363 nan 8.300 nan 0.000 0.484 137 N N 0.846 119.679 118.700 0.221 0.000 2.362 137 N HA -0.037 4.703 4.740 -0.000 0.000 0.204 137 N C 0.774 176.356 175.510 0.121 0.000 1.166 137 N CA 0.332 53.470 53.050 0.147 0.000 0.831 137 N CB -0.279 38.286 38.487 0.130 0.000 1.008 137 N HN 0.595 nan 8.380 nan 0.000 0.472 138 D N 0.397 120.870 120.400 0.122 0.000 2.133 138 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 138 D C 1.627 177.958 176.300 0.051 0.000 0.997 138 D CA 1.193 55.230 54.000 0.062 0.000 0.840 138 D CB 0.055 40.873 40.800 0.030 0.000 0.947 138 D HN 0.353 nan 8.370 nan 0.000 0.452 139 G N 0.292 109.132 108.800 0.066 0.000 2.880 139 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.209 139 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.209 139 G C 1.492 176.431 174.900 0.065 0.000 1.157 139 G CA -0.034 45.102 45.100 0.060 0.000 0.779 139 G HN 0.172 nan 8.290 nan 0.000 0.539 140 K N -0.481 119.965 120.400 0.076 0.000 2.242 140 K HA 0.080 4.400 4.320 -0.000 0.000 0.200 140 K C 0.831 177.475 176.600 0.074 0.000 1.050 140 K CA -0.172 56.162 56.287 0.077 0.000 0.981 140 K CB 0.003 32.560 32.500 0.095 0.000 0.795 140 K HN 0.212 nan 8.250 nan 0.000 0.477 141 c N 2.797 121.437 118.600 0.067 0.000 2.653 141 c HA 0.188 4.758 4.570 -0.000 0.000 0.421 141 c C 0.986 175.098 174.090 0.037 0.000 1.334 141 c CA -0.300 56.060 56.329 0.053 0.000 1.885 141 c CB 0.083 42.616 42.510 0.038 0.000 2.645 141 c HN 0.335 nan 8.230 nan 0.000 0.601 142 K N 3.350 123.770 120.400 0.033 0.000 2.358 142 K HA 0.108 4.428 4.320 -0.000 0.000 0.200 142 K C 1.008 177.616 176.600 0.013 0.000 1.030 142 K CA 0.179 56.480 56.287 0.024 0.000 1.097 142 K CB -0.218 32.300 32.500 0.029 0.000 0.862 142 K HN 0.924 nan 8.250 nan 0.000 0.534 143 T N -2.554 112.004 114.554 0.006 0.000 2.860 143 T HA 0.246 4.596 4.350 -0.000 0.000 0.299 143 T C 1.541 176.240 174.700 -0.002 0.000 1.045 143 T CA -0.070 62.029 62.100 -0.002 0.000 1.071 143 T CB 1.592 70.453 68.868 -0.012 0.000 0.985 143 T HN 0.150 nan 8.240 nan 0.000 0.537 144 G N 0.391 109.189 108.800 -0.004 0.000 2.443 144 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 144 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 144 G C 1.637 176.532 174.900 -0.009 0.000 1.131 144 G CA 0.692 45.789 45.100 -0.005 0.000 0.775 144 G HN 0.945 nan 8.290 nan 0.000 0.547 145 S N -1.288 114.404 115.700 -0.013 0.000 2.503 145 S HA 0.378 4.848 4.470 -0.000 0.000 0.215 145 S C 1.938 176.524 174.600 -0.022 0.000 1.003 145 S CA 1.008 59.197 58.200 -0.018 0.000 0.910 145 S CB 0.194 63.382 63.200 -0.020 0.000 0.790 145 S HN 1.452 nan 8.310 nan 0.000 0.514 146 G N 0.775 109.563 108.800 -0.019 0.000 2.199 146 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.254 146 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.254 146 G C -0.334 174.549 174.900 -0.029 0.000 0.982 146 G CA 0.285 45.374 45.100 -0.019 0.000 0.632 146 G HN 0.565 nan 8.290 nan 0.000 0.529 147 D N -0.212 120.166 120.400 -0.037 0.000 2.385 147 D HA 0.591 5.231 4.640 -0.000 0.000 0.254 147 D C 0.939 177.203 176.300 -0.060 0.000 1.053 147 D CA -0.644 53.324 54.000 -0.054 0.000 0.992 147 D CB 0.841 41.609 40.800 -0.055 0.000 1.145 147 D HN 0.218 nan 8.370 nan 0.000 0.523 148 I N 1.294 121.812 120.570 -0.088 0.000 2.517 148 I HA 0.001 4.171 4.170 -0.000 0.000 0.285 148 I C 1.299 177.373 176.117 -0.072 0.000 1.106 148 I CA 0.539 61.762 61.300 -0.129 0.000 1.402 148 I CB 0.492 38.353 38.000 -0.232 0.000 1.399 148 I HN 0.301 nan 8.210 nan 0.000 0.535 149 E N 3.744 123.909 120.200 -0.058 0.000 2.372 149 E HA 0.060 4.410 4.350 -0.000 0.000 0.201 149 E C -0.016 176.604 176.600 0.034 0.000 0.938 149 E CA 0.079 56.478 56.400 -0.002 0.000 0.944 149 E CB 0.497 30.194 29.700 -0.005 0.000 0.937 149 E HN 0.592 nan 8.360 nan 0.000 0.495 150 N N -0.732 117.966 118.700 -0.002 0.000 2.478 150 N HA 0.069 4.809 4.740 -0.000 0.000 0.291 150 N C -0.970 174.549 175.510 0.015 0.000 1.090 150 N CA -0.298 52.788 53.050 0.059 0.000 0.911 150 N CB 0.568 39.077 38.487 0.037 0.000 1.546 150 N HN -0.165 nan 8.380 nan 0.000 0.500 151 Y N 1.498 121.796 120.300 -0.002 0.000 2.632 151 Y HA 0.161 4.710 4.550 -0.001 0.000 0.301 151 Y C 1.356 177.246 175.900 -0.015 0.000 1.172 151 Y CA 0.339 58.433 58.100 -0.010 0.000 1.328 151 Y CB -0.002 38.449 38.460 -0.014 0.000 1.016 151 Y HN 0.606 nan 8.280 nan 0.000 0.529 152 N N -0.051 118.710 118.700 0.101 0.000 2.467 152 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 152 N C -0.226 175.298 175.510 0.025 0.000 1.106 152 N CA 0.596 53.680 53.050 0.057 0.000 0.892 152 N CB 0.131 38.647 38.487 0.048 0.000 0.969 152 N HN 0.288 nan 8.380 nan 0.000 0.454 153 D N 0.214 120.614 120.400 0.000 0.000 2.472 153 D HA 0.353 4.993 4.640 -0.000 0.000 0.234 153 D C 0.723 176.994 176.300 -0.048 0.000 1.088 153 D CA -0.585 53.409 54.000 -0.011 0.000 0.882 153 D CB 1.052 41.846 40.800 -0.010 0.000 1.037 153 D HN 0.009 nan 8.370 nan 0.000 0.520 154 A N 2.916 125.714 122.820 -0.037 0.000 2.076 154 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 154 A C 1.947 179.434 177.584 -0.161 0.000 1.160 154 A CA 1.574 53.547 52.037 -0.107 0.000 0.653 154 A CB -0.377 18.580 19.000 -0.071 0.000 0.801 154 A HN 0.585 nan 8.150 nan 0.000 0.455 155 T N 0.420 114.975 114.554 0.003 0.000 2.770 155 T HA -0.149 4.201 4.350 -0.000 0.000 0.263 155 T C 2.120 176.843 174.700 0.038 0.000 1.039 155 T CA 1.577 63.756 62.100 0.132 0.000 1.142 155 T CB -0.286 68.716 68.868 0.223 0.000 0.868 155 T HN 0.883 nan 8.240 nan 0.000 0.435 156 Q N 0.994 120.786 119.800 -0.014 0.000 2.224 156 Q HA -0.005 4.335 4.340 -0.000 0.000 0.203 156 Q C 2.097 178.029 176.000 -0.114 0.000 0.970 156 Q CA 1.000 56.778 55.803 -0.042 0.000 0.865 156 Q CB -0.700 28.006 28.738 -0.054 0.000 0.922 156 Q HN 0.294 nan 8.270 nan 0.000 0.445 157 V N 0.909 120.706 119.914 -0.194 0.000 2.490 157 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 157 V C 2.031 178.053 176.094 -0.120 0.000 1.061 157 V CA 2.026 64.185 62.300 -0.236 0.000 1.064 157 V CB -0.419 31.212 31.823 -0.320 0.000 0.670 157 V HN 0.283 nan 8.190 nan 0.000 0.461 158 R N -0.249 120.109 120.500 -0.238 0.000 2.128 158 R HA 0.065 4.405 4.340 -0.000 0.000 0.211 158 R C 1.671 177.959 176.300 -0.021 0.000 1.067 158 R CA 0.841 56.769 56.100 -0.286 0.000 1.010 158 R CB -0.247 29.453 30.300 -0.999 0.000 0.922 158 R HN 0.443 nan 8.270 nan 0.000 0.457 159 D N -1.112 119.331 120.400 0.071 0.000 2.367 159 D HA 0.093 4.733 4.640 -0.000 0.000 0.207 159 D C 0.099 176.445 176.300 0.076 0.000 1.034 159 D CA 0.286 54.371 54.000 0.141 0.000 0.861 159 D CB 0.253 41.173 40.800 0.200 0.000 0.943 159 D HN 0.086 nan 8.370 nan 0.000 0.515 160 c N 0.702 119.315 118.600 0.023 0.000 2.354 160 c HA 0.487 5.057 4.570 -0.000 0.000 0.381 160 c C 0.702 174.773 174.090 -0.032 0.000 1.240 160 c CA -0.986 55.340 56.329 -0.004 0.000 2.089 160 c CB 1.276 43.767 42.510 -0.031 0.000 2.234 160 c HN 0.066 nan 8.230 nan 0.000 0.544 161 R N 1.024 121.495 120.500 -0.048 0.000 2.298 161 R HA 0.340 4.680 4.340 -0.000 0.000 0.310 161 R C -0.642 175.566 176.300 -0.153 0.000 1.068 161 R CA -0.495 55.554 56.100 -0.085 0.000 0.957 161 R CB 0.237 30.494 30.300 -0.072 0.000 1.003 161 R HN 0.468 nan 8.270 nan 0.000 0.454 162 L N 4.803 125.881 121.223 -0.243 0.000 2.485 162 L HA -0.016 4.324 4.340 -0.000 0.000 0.279 162 L C 0.320 177.040 176.870 -0.250 0.000 1.124 162 L CA 0.794 55.436 54.840 -0.330 0.000 0.888 162 L CB 0.011 41.740 42.059 -0.550 0.000 1.217 162 L HN 0.939 nan 8.230 nan 0.000 0.464 163 T N 1.687 116.139 114.554 -0.169 0.000 3.639 163 T HA -0.181 4.169 4.350 -0.000 0.000 0.386 163 T C 1.108 175.716 174.700 -0.154 0.000 0.764 163 T CA 1.131 63.143 62.100 -0.146 0.000 1.954 163 T CB -2.409 66.361 68.868 -0.164 0.000 1.755 163 T HN 2.305 nan 8.240 nan 0.000 0.715 164 G N -1.080 107.643 108.800 -0.129 0.000 2.179 164 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.260 164 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.260 164 G C 0.017 174.849 174.900 -0.112 0.000 0.977 164 G CA -0.052 44.983 45.100 -0.108 0.000 0.641 164 G HN 1.004 nan 8.290 nan 0.000 0.533 165 L N 1.523 122.646 121.223 -0.166 0.000 2.418 165 L HA 0.390 4.730 4.340 -0.000 0.000 0.274 165 L C 1.338 178.170 176.870 -0.062 0.000 1.135 165 L CA -0.128 54.612 54.840 -0.167 0.000 0.870 165 L CB 0.575 42.364 42.059 -0.450 0.000 1.154 165 L HN 0.221 nan 8.230 nan 0.000 0.462 166 L N 3.565 124.783 121.223 -0.009 0.000 2.628 166 L HA -0.088 4.252 4.340 -0.000 0.000 0.274 166 L C 0.333 177.333 176.870 0.217 0.000 1.209 166 L CA 0.279 55.124 54.840 0.010 0.000 0.930 166 L CB -0.121 41.814 42.059 -0.207 0.000 1.183 166 L HN 0.571 nan 8.230 nan 0.000 0.492 167 D N 3.939 124.483 120.400 0.240 0.000 2.347 167 D HA 0.335 4.975 4.640 -0.000 0.000 0.235 167 D C -0.233 176.204 176.300 0.228 0.000 1.149 167 D CA -0.315 53.817 54.000 0.220 0.000 0.850 167 D CB 0.789 41.665 40.800 0.127 0.000 1.061 167 D HN 0.249 nan 8.370 nan 0.000 0.487 168 L N 2.421 123.661 121.223 0.029 0.000 2.456 168 L HA 0.263 4.603 4.340 -0.000 0.000 0.272 168 L C 0.728 177.521 176.870 -0.128 0.000 1.189 168 L CA -0.619 54.052 54.840 -0.281 0.000 0.846 168 L CB 0.806 42.638 42.059 -0.377 0.000 1.111 168 L HN 0.481 nan 8.230 nan 0.000 0.475 169 A N 4.180 126.897 122.820 -0.171 0.000 2.990 169 A HA 0.220 4.540 4.320 -0.000 0.000 0.282 169 A C 0.882 178.454 177.584 -0.020 0.000 1.688 169 A CA -0.460 51.558 52.037 -0.032 0.000 1.391 169 A CB -0.328 18.671 19.000 -0.002 0.000 1.112 169 A HN 0.647 nan 8.150 nan 0.000 0.588 170 L N 1.135 122.368 121.223 0.016 0.000 2.642 170 L HA -0.118 4.222 4.340 -0.000 0.000 0.236 170 L C 2.576 179.468 176.870 0.036 0.000 1.169 170 L CA 1.760 56.617 54.840 0.027 0.000 0.851 170 L CB -0.496 41.603 42.059 0.067 0.000 0.968 170 L HN 0.837 nan 8.230 nan 0.000 0.453 171 E N -0.170 120.050 120.200 0.034 0.000 2.318 171 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 171 E C 0.416 177.024 176.600 0.013 0.000 0.998 171 E CA 0.153 56.558 56.400 0.010 0.000 0.859 171 E CB 0.001 29.688 29.700 -0.021 0.000 0.812 171 E HN 0.324 nan 8.360 nan 0.000 0.492 172 K N 1.593 122.011 120.400 0.030 0.000 2.368 172 K HA 0.016 4.336 4.320 -0.000 0.000 0.282 172 K C 0.223 176.859 176.600 0.060 0.000 1.035 172 K CA 0.199 56.518 56.287 0.054 0.000 0.973 172 K CB 0.993 33.548 32.500 0.091 0.000 0.957 172 K HN -0.077 nan 8.250 nan 0.000 0.474 173 D N 1.826 122.264 120.400 0.063 0.000 2.144 173 D HA -0.225 4.415 4.640 -0.000 0.000 0.199 173 D C 1.484 177.832 176.300 0.081 0.000 0.984 173 D CA 1.311 55.343 54.000 0.054 0.000 0.834 173 D CB 0.049 40.878 40.800 0.049 0.000 0.955 173 D HN 0.617 nan 8.370 nan 0.000 0.465 174 Y N 0.451 120.767 120.300 0.026 0.000 2.097 174 Y HA -0.216 4.334 4.550 -0.000 0.000 0.282 174 Y C 2.093 178.042 175.900 0.081 0.000 1.152 174 Y CA 1.497 59.626 58.100 0.048 0.000 1.136 174 Y CB -0.593 37.904 38.460 0.062 0.000 0.975 174 Y HN -0.085 nan 8.280 nan 0.000 0.498 175 V N 1.329 121.260 119.914 0.029 0.000 2.343 175 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 175 V C 2.439 178.497 176.094 -0.060 0.000 1.051 175 V CA 2.303 64.601 62.300 -0.002 0.000 1.036 175 V CB -0.632 31.200 31.823 0.014 0.000 0.654 175 V HN 0.379 nan 8.190 nan 0.000 0.451 176 R N 0.027 120.498 120.500 -0.048 0.000 2.096 176 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 176 R C 2.490 178.730 176.300 -0.100 0.000 1.127 176 R CA 1.660 57.724 56.100 -0.061 0.000 0.968 176 R CB -0.543 29.736 30.300 -0.034 0.000 0.861 176 R HN 0.472 nan 8.270 nan 0.000 0.440 177 S N 0.796 116.424 115.700 -0.121 0.000 2.387 177 S HA -0.027 4.443 4.470 -0.000 0.000 0.226 177 S C 1.721 176.206 174.600 -0.191 0.000 1.026 177 S CA 0.882 59.000 58.200 -0.136 0.000 0.972 177 S CB 0.065 63.201 63.200 -0.107 0.000 0.814 177 S HN 0.242 nan 8.310 nan 0.000 0.477 178 K N 1.051 121.283 120.400 -0.279 0.000 2.097 178 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 178 K C 1.870 178.334 176.600 -0.228 0.000 1.050 178 K CA 0.720 56.846 56.287 -0.268 0.000 0.938 178 K CB -0.323 31.965 32.500 -0.354 0.000 0.718 178 K HN 0.337 nan 8.250 nan 0.000 0.442 179 I N 1.146 121.596 120.570 -0.200 0.000 2.202 179 I HA -0.167 4.003 4.170 -0.000 0.000 0.242 179 I C 2.475 178.443 176.117 -0.249 0.000 1.091 179 I CA 1.038 62.180 61.300 -0.264 0.000 1.368 179 I CB -1.376 36.524 38.000 -0.165 0.000 1.058 179 I HN 0.008 nan 8.210 nan 0.000 0.410 180 A N 0.260 122.955 122.820 -0.208 0.000 1.933 180 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 180 A C 2.344 179.801 177.584 -0.211 0.000 1.175 180 A CA 1.628 53.534 52.037 -0.218 0.000 0.628 180 A CB -0.670 18.231 19.000 -0.165 0.000 0.814 180 A HN 0.496 nan 8.150 nan 0.000 0.444 181 E N -1.379 118.723 120.200 -0.162 0.000 2.085 181 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 181 E C 1.833 178.387 176.600 -0.077 0.000 0.994 181 E CA 1.685 58.018 56.400 -0.111 0.000 0.801 181 E CB -0.317 29.328 29.700 -0.091 0.000 0.743 181 E HN 0.741 nan 8.360 nan 0.000 0.453 182 Y N 0.741 120.868 120.300 -0.287 0.000 2.163 182 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 182 Y C 2.063 177.855 175.900 -0.180 0.000 1.136 182 Y CA 1.857 59.784 58.100 -0.289 0.000 1.147 182 Y CB -0.371 37.682 38.460 -0.677 0.000 0.987 182 Y HN 0.005 nan 8.280 nan 0.000 0.509 183 M N 0.144 119.428 119.600 -0.526 0.000 2.175 183 M HA -0.198 4.282 4.480 -0.000 0.000 0.264 183 M C 1.681 177.818 176.300 -0.271 0.000 1.063 183 M CA 1.449 56.390 55.300 -0.598 0.000 1.119 183 M CB -0.364 31.785 32.600 -0.752 0.000 1.377 183 M HN 0.235 nan 8.290 nan 0.000 0.415 184 N N -0.392 118.144 118.700 -0.273 0.000 2.244 184 N HA -0.162 4.577 4.740 -0.000 0.000 0.183 184 N C 1.557 177.002 175.510 -0.109 0.000 1.016 184 N CA 1.191 54.048 53.050 -0.322 0.000 0.866 184 N CB -0.480 37.625 38.487 -0.637 0.000 0.980 184 N HN 0.445 nan 8.380 nan 0.000 0.430 185 H N 1.008 119.999 119.070 -0.130 0.000 2.321 185 H HA 0.084 4.640 4.556 -0.000 0.000 0.300 185 H C 2.040 177.367 175.328 -0.003 0.000 1.087 185 H CA 1.357 57.386 56.048 -0.032 0.000 1.319 185 H CB -0.296 29.463 29.762 -0.006 0.000 1.379 185 H HN 0.072 nan 8.280 nan 0.000 0.501 186 L N -0.379 120.793 121.223 -0.085 0.000 2.046 186 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 186 L C 2.545 179.398 176.870 -0.028 0.000 1.077 186 L CA 1.277 56.079 54.840 -0.064 0.000 0.747 186 L CB -0.392 41.648 42.059 -0.031 0.000 0.896 186 L HN 0.324 nan 8.230 nan 0.000 0.432 187 I N -0.017 120.564 120.570 0.019 0.000 2.179 187 I HA -0.304 3.865 4.170 -0.000 0.000 0.242 187 I C 2.007 178.154 176.117 0.050 0.000 1.088 187 I CA 1.306 62.617 61.300 0.018 0.000 1.357 187 I CB -0.410 37.623 38.000 0.056 0.000 1.051 187 I HN 0.274 nan 8.210 nan 0.000 0.409 188 D N 0.753 121.191 120.400 0.063 0.000 2.263 188 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 188 D C 2.171 178.518 176.300 0.079 0.000 0.971 188 D CA 1.124 55.184 54.000 0.101 0.000 0.867 188 D CB -0.110 40.763 40.800 0.121 0.000 0.929 188 D HN 0.379 nan 8.370 nan 0.000 0.492 189 I N -0.479 120.091 120.570 0.000 0.000 2.439 189 I HA -0.057 4.113 4.170 -0.000 0.000 0.251 189 I C 1.668 177.855 176.117 0.116 0.000 1.139 189 I CA 1.163 62.473 61.300 0.017 0.000 1.438 189 I CB 0.162 38.133 38.000 -0.049 0.000 1.085 189 I HN 0.165 nan 8.210 nan 0.000 0.427 190 G N 0.523 109.378 108.800 0.091 0.000 2.370 190 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.174 190 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.174 190 G C 0.322 175.174 174.900 -0.079 0.000 1.002 190 G CA -0.052 45.111 45.100 0.105 0.000 0.730 190 G HN 0.189 nan 8.290 nan 0.000 0.497 191 V N -0.606 119.202 119.914 -0.177 0.000 2.963 191 V HA 0.708 4.828 4.120 -0.000 0.000 0.306 191 V C 1.300 177.140 176.094 -0.422 0.000 1.077 191 V CA 0.949 63.044 62.300 -0.341 0.000 1.124 191 V CB 1.456 33.041 31.823 -0.396 0.000 0.987 191 V HN 1.317 nan 8.190 nan 0.000 0.487 192 A N 2.651 125.141 122.820 -0.549 0.000 2.267 192 A HA 0.764 5.084 4.320 -0.000 0.000 0.213 192 A C 1.141 178.535 177.584 -0.316 0.000 1.192 192 A CA 0.649 52.355 52.037 -0.553 0.000 0.851 192 A CB -0.451 18.255 19.000 -0.489 0.000 0.881 192 A HN 2.054 nan 8.150 nan 0.000 0.494 193 G N -1.907 106.649 108.800 -0.408 0.000 2.342 193 G HA2 0.487 4.447 3.960 -0.000 0.000 0.297 193 G HA3 0.487 4.447 3.960 -0.000 0.000 0.297 193 G C -1.560 172.989 174.900 -0.585 0.000 1.313 193 G CA -0.693 44.302 45.100 -0.175 0.000 0.830 193 G HN 0.201 nan 8.290 nan 0.000 0.506 194 F N -0.624 119.313 119.950 -0.021 0.000 2.613 194 F HA 0.722 5.249 4.527 -0.000 0.000 0.310 194 F C 0.195 175.625 175.800 -0.615 0.000 1.085 194 F CA -0.904 56.975 58.000 -0.202 0.000 0.945 194 F CB 2.518 41.402 39.000 -0.192 0.000 1.298 194 F HN 0.483 nan 8.300 nan 0.000 0.455 195 R N 2.247 122.463 120.500 -0.474 0.000 2.265 195 R HA 0.577 4.917 4.340 -0.000 0.000 0.328 195 R C -1.766 174.367 176.300 -0.278 0.000 0.969 195 R CA -0.709 54.873 56.100 -0.863 0.000 0.832 195 R CB 0.722 30.629 30.300 -0.654 0.000 1.139 195 R HN 0.615 nan 8.270 nan 0.000 0.457 196 L N 4.370 125.457 121.223 -0.227 0.000 2.312 196 L HA 0.317 4.657 4.340 -0.000 0.000 0.287 196 L C 0.311 177.170 176.870 -0.017 0.000 1.091 196 L CA 0.152 54.941 54.840 -0.085 0.000 0.846 196 L CB 0.849 42.861 42.059 -0.078 0.000 1.219 196 L HN 0.712 nan 8.230 nan 0.000 0.439 197 A N 3.908 126.762 122.820 0.057 0.000 2.445 197 A HA 0.532 4.852 4.320 -0.000 0.000 0.242 197 A C 1.218 178.881 177.584 0.131 0.000 1.075 197 A CA 0.174 52.290 52.037 0.131 0.000 0.777 197 A CB -0.070 19.080 19.000 0.250 0.000 1.013 197 A HN 1.546 nan 8.150 nan 0.000 0.493 198 A N 2.021 124.934 122.820 0.156 0.000 2.745 198 A HA -0.139 4.181 4.320 -0.000 0.000 0.296 198 A C 1.529 179.191 177.584 0.130 0.000 1.500 198 A CA 1.119 53.292 52.037 0.227 0.000 0.766 198 A CB -2.246 16.962 19.000 0.346 0.000 1.030 198 A HN 1.391 nan 8.150 nan 0.000 0.489 199 S N -0.716 114.979 115.700 -0.008 0.000 2.419 199 S HA -0.155 4.315 4.470 -0.000 0.000 0.233 199 S C 1.796 176.275 174.600 -0.202 0.000 1.016 199 S CA 1.625 59.763 58.200 -0.102 0.000 0.974 199 S CB -0.133 62.931 63.200 -0.227 0.000 0.786 199 S HN 0.913 nan 8.310 nan 0.000 0.492 200 K N 0.998 121.209 120.400 -0.314 0.000 2.209 200 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 200 K C 1.143 177.529 176.600 -0.356 0.000 1.048 200 K CA 1.254 57.329 56.287 -0.353 0.000 0.940 200 K CB -0.123 32.114 32.500 -0.439 0.000 0.729 200 K HN 0.426 nan 8.250 nan 0.000 0.451 201 H N -0.222 118.826 119.070 -0.036 0.000 2.536 201 H HA 0.183 4.738 4.556 -0.000 0.000 0.276 201 H C -0.100 175.180 175.328 -0.079 0.000 1.019 201 H CA 0.426 56.431 56.048 -0.071 0.000 1.159 201 H CB -0.095 29.658 29.762 -0.015 0.000 1.373 201 H HN 0.215 nan 8.280 nan 0.000 0.584 202 M N -0.354 119.254 119.600 0.013 0.000 2.518 202 M HA 0.188 4.668 4.480 -0.000 0.000 0.300 202 M C -1.069 175.241 176.300 0.017 0.000 1.175 202 M CA -0.839 54.488 55.300 0.046 0.000 0.890 202 M CB 2.435 35.113 32.600 0.130 0.000 1.710 202 M HN -0.006 nan 8.290 nan 0.000 0.453 203 W N 2.440 123.784 121.300 0.073 0.000 2.253 203 W HA 0.235 4.895 4.660 -0.000 0.000 0.322 203 W C -1.781 174.715 176.519 -0.038 0.000 1.342 203 W CA -0.871 56.475 57.345 0.002 0.000 1.218 203 W CB -0.178 29.272 29.460 -0.016 0.000 1.205 203 W HN 0.488 nan 8.180 nan 0.000 0.551 204 P HA -0.218 nan 4.420 nan 0.000 0.216 204 P C 1.713 179.029 177.300 0.026 0.000 1.150 204 P CA 2.485 65.502 63.100 -0.139 0.000 0.843 204 P CB 0.107 31.572 31.700 -0.393 0.000 0.787 205 G N -0.657 108.187 108.800 0.073 0.000 2.422 205 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.218 205 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.218 205 G C 1.209 176.143 174.900 0.056 0.000 1.140 205 G CA 0.721 45.849 45.100 0.047 0.000 0.775 205 G HN 0.189 nan 8.290 nan 0.000 0.545 206 D N 0.577 121.044 120.400 0.112 0.000 2.149 206 D HA -0.018 4.622 4.640 -0.000 0.000 0.201 206 D C 2.567 178.905 176.300 0.064 0.000 0.972 206 D CA 0.268 54.321 54.000 0.089 0.000 0.835 206 D CB -0.070 40.819 40.800 0.148 0.000 0.966 206 D HN 0.346 nan 8.370 nan 0.000 0.476 207 I N 0.729 121.350 120.570 0.086 0.000 2.179 207 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 207 I C 2.364 178.495 176.117 0.025 0.000 1.088 207 I CA 1.033 62.368 61.300 0.058 0.000 1.357 207 I CB -0.125 37.941 38.000 0.110 0.000 1.051 207 I HN -0.086 nan 8.210 nan 0.000 0.409 208 K N 1.474 121.894 120.400 0.034 0.000 2.063 208 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 208 K C 2.074 178.674 176.600 0.000 0.000 1.048 208 K CA 1.782 58.079 56.287 0.017 0.000 0.928 208 K CB -0.399 32.114 32.500 0.023 0.000 0.713 208 K HN 0.307 nan 8.250 nan 0.000 0.442 209 A N 0.527 123.348 122.820 0.002 0.000 1.940 209 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 209 A C 2.212 179.783 177.584 -0.023 0.000 1.176 209 A CA 1.807 53.840 52.037 -0.008 0.000 0.631 209 A CB -0.662 18.335 19.000 -0.004 0.000 0.814 209 A HN 0.371 nan 8.150 nan 0.000 0.446 210 I N -0.391 120.160 120.570 -0.033 0.000 2.202 210 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 210 I C 2.247 178.314 176.117 -0.082 0.000 1.091 210 I CA 1.007 62.267 61.300 -0.066 0.000 1.368 210 I CB -0.361 37.589 38.000 -0.083 0.000 1.058 210 I HN 0.276 nan 8.210 nan 0.000 0.410 211 L N 0.326 121.507 121.223 -0.070 0.000 2.187 211 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 211 L C 1.767 178.609 176.870 -0.046 0.000 1.100 211 L CA 1.064 55.861 54.840 -0.071 0.000 0.765 211 L CB -0.752 41.275 42.059 -0.054 0.000 0.904 211 L HN 0.269 nan 8.230 nan 0.000 0.437 212 D N 0.272 120.653 120.400 -0.031 0.000 2.350 212 D HA -0.103 4.537 4.640 -0.000 0.000 0.216 212 D C 1.776 178.070 176.300 -0.010 0.000 0.968 212 D CA 0.979 54.970 54.000 -0.014 0.000 0.894 212 D CB 0.088 40.884 40.800 -0.008 0.000 0.909 212 D HN 0.323 nan 8.370 nan 0.000 0.520 213 K N -0.258 120.125 120.400 -0.028 0.000 2.374 213 K HA 0.182 4.502 4.320 -0.000 0.000 0.196 213 K C 0.492 177.074 176.600 -0.030 0.000 1.023 213 K CA -0.075 56.198 56.287 -0.023 0.000 1.103 213 K CB 0.851 33.322 32.500 -0.048 0.000 0.848 213 K HN 0.071 nan 8.250 nan 0.000 0.528 214 L N 1.280 122.478 121.223 -0.042 0.000 2.375 214 L HA 0.208 4.548 4.340 -0.000 0.000 0.271 214 L C 0.616 177.532 176.870 0.076 0.000 1.107 214 L CA -0.499 54.305 54.840 -0.059 0.000 0.806 214 L CB 0.568 42.584 42.059 -0.072 0.000 1.146 214 L HN 0.194 nan 8.230 nan 0.000 0.447 215 H N 0.786 119.851 119.070 -0.009 0.000 2.581 215 H HA 0.148 4.704 4.556 0.000 0.000 0.369 215 H C -0.267 175.058 175.328 -0.004 0.000 1.351 215 H CA -0.680 55.367 56.048 -0.001 0.000 1.434 215 H CB 0.721 30.488 29.762 0.008 0.000 1.558 215 H HN 0.584 nan 8.280 nan 0.000 0.608 216 N N -0.033 118.746 118.700 0.131 0.000 2.408 216 N HA 0.142 4.882 4.740 -0.000 0.000 0.260 216 N C -0.407 175.132 175.510 0.049 0.000 1.242 216 N CA -0.663 52.419 53.050 0.054 0.000 0.959 216 N CB 0.832 39.339 38.487 0.033 0.000 1.201 216 N HN 0.185 nan 8.380 nan 0.000 0.511 217 L N 1.210 122.414 121.223 -0.030 0.000 2.483 217 L HA 0.016 4.356 4.340 -0.000 0.000 0.275 217 L C 1.026 177.975 176.870 0.132 0.000 1.220 217 L CA -0.244 54.543 54.840 -0.088 0.000 0.833 217 L CB 0.050 41.795 42.059 -0.524 0.000 1.102 217 L HN 0.608 nan 8.230 nan 0.000 0.490 218 N N 1.252 120.108 118.700 0.261 0.000 2.374 218 N HA -0.103 4.637 4.740 -0.000 0.000 0.269 218 N C 0.992 176.692 175.510 0.317 0.000 1.310 218 N CA 0.323 53.559 53.050 0.309 0.000 0.877 218 N CB 0.859 39.597 38.487 0.418 0.000 1.096 218 N HN 0.672 nan 8.380 nan 0.000 0.484 219 S N 2.720 118.506 115.700 0.143 0.000 2.595 219 S HA -0.086 4.383 4.470 -0.000 0.000 0.235 219 S C 1.079 175.672 174.600 -0.011 0.000 0.974 219 S CA 0.655 58.906 58.200 0.084 0.000 0.942 219 S CB -0.195 63.022 63.200 0.029 0.000 0.766 219 S HN 0.634 nan 8.310 nan 0.000 0.536 220 N N -0.116 118.519 118.700 -0.109 0.000 2.416 220 N HA 0.111 4.851 4.740 -0.000 0.000 0.177 220 N C 0.936 176.182 175.510 -0.439 0.000 1.036 220 N CA 0.861 53.691 53.050 -0.366 0.000 0.901 220 N CB 0.021 38.104 38.487 -0.673 0.000 0.976 220 N HN 0.508 nan 8.380 nan 0.000 0.444 221 W N -1.000 120.209 121.300 -0.152 0.000 2.942 221 W HA 0.342 5.002 4.660 0.000 0.000 0.260 221 W C -0.490 175.678 176.519 -0.585 0.000 1.101 221 W CA -0.203 56.885 57.345 -0.428 0.000 1.436 221 W CB 0.125 29.172 29.460 -0.688 0.000 0.883 221 W HN -0.152 nan 8.180 nan 0.000 0.646 222 F N 1.021 121.079 119.950 0.179 0.000 2.522 222 F HA 0.476 5.003 4.527 -0.000 0.000 0.324 222 F C -1.936 173.894 175.800 0.049 0.000 1.077 222 F CA -2.697 55.359 58.000 0.094 0.000 0.944 222 F CB -0.024 39.022 39.000 0.077 0.000 1.175 222 F HN -0.468 nan 8.300 nan 0.000 0.468 223 P HA 0.144 nan 4.420 nan 0.000 0.267 223 P C -0.788 176.578 177.300 0.111 0.000 1.200 223 P CA -0.267 62.905 63.100 0.119 0.000 0.772 223 P CB 0.434 32.191 31.700 0.095 0.000 0.855 224 A N 2.579 125.440 122.820 0.068 0.000 2.531 224 A HA 0.407 4.727 4.320 -0.000 0.000 0.236 224 A C 1.514 179.125 177.584 0.045 0.000 1.062 224 A CA 0.721 52.789 52.037 0.051 0.000 0.760 224 A CB -1.274 17.744 19.000 0.029 0.000 0.995 224 A HN 0.910 nan 8.150 nan 0.000 0.501 225 G N 1.243 110.065 108.800 0.036 0.000 2.159 225 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.256 225 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.256 225 G C 0.403 175.317 174.900 0.023 0.000 0.977 225 G CA 0.361 45.477 45.100 0.026 0.000 0.652 225 G HN 1.209 nan 8.290 nan 0.000 0.531 226 S N 0.922 116.639 115.700 0.029 0.000 2.528 226 S HA 0.468 4.938 4.470 -0.000 0.000 0.277 226 S C 0.478 175.056 174.600 -0.038 0.000 1.297 226 S CA -0.027 58.173 58.200 0.000 0.000 1.052 226 S CB 1.272 64.476 63.200 0.008 0.000 0.917 226 S HN 0.437 nan 8.310 nan 0.000 0.492 227 K N 3.583 123.959 120.400 -0.039 0.000 2.123 227 K HA 0.405 4.725 4.320 -0.000 0.000 0.259 227 K C -2.498 174.073 176.600 -0.049 0.000 0.960 227 K CA -2.266 53.999 56.287 -0.036 0.000 0.872 227 K CB 0.893 33.375 32.500 -0.029 0.000 1.079 227 K HN 0.347 nan 8.250 nan 0.000 0.440 228 P HA -0.067 nan 4.420 nan 0.000 0.268 228 P C -0.623 176.740 177.300 0.105 0.000 1.205 228 P CA -0.155 62.948 63.100 0.006 0.000 0.771 228 P CB 0.328 32.087 31.700 0.099 0.000 0.858 229 F N 4.418 124.356 119.950 -0.021 0.000 2.504 229 F HA 0.293 4.820 4.527 0.000 0.000 0.369 229 F C -0.114 175.738 175.800 0.086 0.000 1.082 229 F CA -0.737 57.269 58.000 0.011 0.000 1.216 229 F CB -0.156 38.873 39.000 0.047 0.000 1.108 229 F HN 0.148 nan 8.300 nan 0.000 0.554 230 I N 8.296 128.670 120.570 -0.327 0.000 2.418 230 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 230 I C -1.436 174.426 176.117 -0.425 0.000 1.008 230 I CA -0.973 60.129 61.300 -0.330 0.000 1.104 230 I CB 1.434 39.351 38.000 -0.139 0.000 1.264 230 I HN 0.517 nan 8.210 nan 0.000 0.438 231 Y N 3.234 123.217 120.300 -0.529 0.000 2.338 231 Y HA 0.655 5.205 4.550 -0.000 0.000 0.333 231 Y C -0.788 175.021 175.900 -0.150 0.000 0.968 231 Y CA -1.224 56.660 58.100 -0.360 0.000 1.123 231 Y CB 0.663 38.864 38.460 -0.431 0.000 1.165 231 Y HN 0.459 nan 8.280 nan 0.000 0.452 232 Q N 2.656 122.465 119.800 0.015 0.000 2.256 232 Q HA 0.196 4.535 4.340 -0.000 0.000 0.254 232 Q C -0.600 175.413 176.000 0.020 0.000 0.916 232 Q CA -0.684 55.103 55.803 -0.027 0.000 0.932 232 Q CB 1.924 30.640 28.738 -0.036 0.000 1.207 232 Q HN 0.743 nan 8.270 nan 0.000 0.426 233 E N 3.062 123.276 120.200 0.023 0.000 2.003 233 E HA 0.175 4.525 4.350 -0.000 0.000 0.279 233 E C -1.322 175.310 176.600 0.054 0.000 1.132 233 E CA -0.215 56.267 56.400 0.135 0.000 0.888 233 E CB 0.417 30.210 29.700 0.156 0.000 1.056 233 E HN 0.309 nan 8.360 nan 0.000 0.399 234 V N 7.087 127.057 119.914 0.092 0.000 2.443 234 V HA 0.294 4.414 4.120 -0.000 0.000 0.293 234 V C 0.063 176.222 176.094 0.108 0.000 1.021 234 V CA -0.677 61.587 62.300 -0.060 0.000 0.848 234 V CB 1.550 33.226 31.823 -0.245 0.000 0.998 234 V HN 0.610 nan 8.190 nan 0.000 0.424 235 I N 4.285 124.814 120.570 -0.067 0.000 2.281 235 I HA 0.318 4.488 4.170 -0.000 0.000 0.293 235 I C -0.408 175.661 176.117 -0.080 0.000 1.085 235 I CA 0.245 61.421 61.300 -0.207 0.000 1.257 235 I CB 0.586 38.296 38.000 -0.484 0.000 1.430 235 I HN 0.556 nan 8.210 nan 0.000 0.489 236 D N 7.097 127.518 120.400 0.035 0.000 2.440 236 D HA 0.271 4.910 4.640 -0.000 0.000 0.252 236 D C -0.107 176.226 176.300 0.055 0.000 1.180 236 D CA -0.419 53.601 54.000 0.033 0.000 0.894 236 D CB 1.395 42.228 40.800 0.054 0.000 1.111 236 D HN 0.193 nan 8.370 nan 0.000 0.544 237 L N 2.689 123.927 121.223 0.025 0.000 2.700 237 L HA 0.515 4.855 4.340 -0.000 0.000 0.234 237 L C 1.176 178.070 176.870 0.040 0.000 1.156 237 L CA 0.322 55.188 54.840 0.042 0.000 0.946 237 L CB -0.280 41.792 42.059 0.022 0.000 1.216 237 L HN 0.717 nan 8.230 nan 0.000 0.493 238 G N -1.248 107.572 108.800 0.033 0.000 2.730 238 G HA2 0.283 4.243 3.960 -0.000 0.000 0.686 238 G HA3 0.283 4.243 3.960 -0.000 0.000 0.686 238 G C 0.653 175.561 174.900 0.014 0.000 1.343 238 G CA -0.459 44.658 45.100 0.028 0.000 0.826 238 G HN 0.817 nan 8.290 nan 0.000 0.582 239 G N -0.747 108.060 108.800 0.013 0.000 2.176 239 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.253 239 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.253 239 G C 0.218 175.126 174.900 0.014 0.000 0.979 239 G CA 1.507 46.613 45.100 0.009 0.000 0.641 239 G HN 1.223 nan 8.290 nan 0.000 0.530 240 E N 0.224 120.434 120.200 0.018 0.000 2.221 240 E HA 0.429 4.779 4.350 -0.000 0.000 0.268 240 E C -1.407 175.208 176.600 0.025 0.000 0.933 240 E CA -1.730 54.688 56.400 0.030 0.000 0.809 240 E CB 2.179 31.903 29.700 0.039 0.000 1.190 240 E HN 0.057 nan 8.360 nan 0.000 0.406 241 P HA -0.059 nan 4.420 nan 0.000 0.223 241 P C 0.244 177.550 177.300 0.009 0.000 1.151 241 P CA 1.030 64.139 63.100 0.016 0.000 0.787 241 P CB 0.442 32.151 31.700 0.015 0.000 0.788 242 I N 0.734 121.310 120.570 0.011 0.000 2.365 242 I HA 0.184 4.354 4.170 -0.000 0.000 0.291 242 I C 0.741 176.880 176.117 0.036 0.000 1.004 242 I CA -0.471 60.840 61.300 0.017 0.000 1.311 242 I CB 0.815 38.821 38.000 0.009 0.000 1.401 242 I HN -0.258 nan 8.210 nan 0.000 0.491 243 K N 3.656 124.081 120.400 0.041 0.000 2.267 243 K HA 0.320 4.640 4.320 -0.000 0.000 0.246 243 K C 0.766 177.403 176.600 0.062 0.000 0.954 243 K CA -0.515 55.787 56.287 0.025 0.000 0.824 243 K CB 1.908 34.393 32.500 -0.025 0.000 1.167 243 K HN 0.635 nan 8.250 nan 0.000 0.431 244 S N -0.528 115.193 115.700 0.035 0.000 2.447 244 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 244 S C 1.635 176.127 174.600 -0.180 0.000 1.006 244 S CA 1.439 59.675 58.200 0.060 0.000 0.957 244 S CB -0.310 62.957 63.200 0.112 0.000 0.773 244 S HN 0.626 nan 8.310 nan 0.000 0.507 245 S N 2.108 117.504 115.700 -0.507 0.000 2.447 245 S HA -0.105 4.365 4.470 -0.000 0.000 0.233 245 S C 1.193 175.356 174.600 -0.729 0.000 1.006 245 S CA 0.888 58.301 58.200 -1.311 0.000 0.957 245 S CB -0.542 62.206 63.200 -0.752 0.000 0.773 245 S HN 0.449 nan 8.310 nan 0.000 0.507 246 D N 0.699 120.924 120.400 -0.292 0.000 2.310 246 D HA -0.048 4.592 4.640 -0.000 0.000 0.212 246 D C 0.587 176.709 176.300 -0.297 0.000 0.965 246 D CA 0.965 54.811 54.000 -0.257 0.000 0.879 246 D CB -0.271 40.363 40.800 -0.278 0.000 0.921 246 D HN 0.613 nan 8.370 nan 0.000 0.510 247 Y N -0.906 119.333 120.300 -0.101 0.000 2.458 247 Y HA 0.119 4.669 4.550 -0.000 0.000 0.256 247 Y C 1.487 177.535 175.900 0.246 0.000 1.159 247 Y CA -0.452 57.686 58.100 0.063 0.000 1.261 247 Y CB -0.077 38.429 38.460 0.076 0.000 1.119 247 Y HN -0.176 nan 8.280 nan 0.000 0.524 248 F N -0.062 120.013 119.950 0.209 0.000 2.250 248 F HA -0.086 4.441 4.527 0.000 0.000 0.301 248 F C 2.291 178.244 175.800 0.254 0.000 1.077 248 F CA 1.000 59.118 58.000 0.197 0.000 1.348 248 F CB -1.237 37.825 39.000 0.102 0.000 1.040 248 F HN 0.123 nan 8.300 nan 0.000 0.509 249 G N -0.633 108.386 108.800 0.364 0.000 2.598 249 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 249 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 249 G C 1.522 176.565 174.900 0.240 0.000 1.131 249 G CA 0.457 45.726 45.100 0.282 0.000 0.785 249 G HN 0.270 nan 8.290 nan 0.000 0.539 250 N N 0.211 119.053 118.700 0.236 0.000 2.415 250 N HA 0.240 4.980 4.740 -0.000 0.000 0.174 250 N C 1.118 176.646 175.510 0.030 0.000 1.048 250 N CA 1.000 54.122 53.050 0.120 0.000 0.895 250 N CB 1.183 39.756 38.487 0.142 0.000 1.036 250 N HN 0.431 nan 8.380 nan 0.000 0.449 251 G N -0.173 108.739 108.800 0.187 0.000 2.368 251 G HA2 0.111 4.071 3.960 -0.000 0.000 0.269 251 G HA3 0.111 4.071 3.960 -0.000 0.000 0.269 251 G C -1.286 173.842 174.900 0.380 0.000 1.291 251 G CA -0.894 44.257 45.100 0.086 0.000 0.903 251 G HN -0.045 nan 8.290 nan 0.000 0.483 252 R N -1.002 119.651 120.500 0.255 0.000 2.652 252 R HA 0.625 4.965 4.340 -0.000 0.000 0.271 252 R C 0.072 176.489 176.300 0.195 0.000 1.129 252 R CA 0.049 56.277 56.100 0.214 0.000 1.200 252 R CB 1.155 31.549 30.300 0.158 0.000 1.146 252 R HN 1.066 nan 8.270 nan 0.000 0.581 253 V N -2.866 117.165 119.914 0.196 0.000 2.962 253 V HA 0.437 4.557 4.120 -0.000 0.000 0.313 253 V C -0.028 176.160 176.094 0.157 0.000 1.099 253 V CA -1.135 61.282 62.300 0.195 0.000 0.971 253 V CB 1.810 33.794 31.823 0.268 0.000 1.028 253 V HN 0.917 nan 8.190 nan 0.000 0.430 254 T N -0.275 114.379 114.554 0.166 0.000 2.870 254 T HA 0.447 4.797 4.350 -0.000 0.000 0.300 254 T C -0.118 174.618 174.700 0.059 0.000 0.989 254 T CA 0.002 62.183 62.100 0.134 0.000 1.139 254 T CB 0.997 69.937 68.868 0.121 0.000 0.920 254 T HN 1.009 nan 8.240 nan 0.000 0.537 255 E N 2.383 122.519 120.200 -0.106 0.000 2.042 255 E HA 0.315 4.665 4.350 -0.000 0.000 0.260 255 E C -0.363 176.008 176.600 -0.382 0.000 0.975 255 E CA -1.138 55.160 56.400 -0.169 0.000 0.799 255 E CB -0.569 29.025 29.700 -0.177 0.000 1.131 255 E HN 0.665 nan 8.360 nan 0.000 0.423 256 F N 2.350 122.220 119.950 -0.134 0.000 2.502 256 F HA -0.001 4.526 4.527 0.000 0.000 0.298 256 F C 1.701 177.383 175.800 -0.196 0.000 1.111 256 F CA 0.812 58.728 58.000 -0.140 0.000 1.445 256 F CB 0.163 39.171 39.000 0.013 0.000 1.081 256 F HN 0.374 nan 8.300 nan 0.000 0.558 257 K N -1.063 119.269 120.400 -0.113 0.000 2.211 257 K HA -0.206 4.114 4.320 -0.000 0.000 0.203 257 K C 1.760 178.108 176.600 -0.420 0.000 1.050 257 K CA 1.057 57.236 56.287 -0.181 0.000 0.945 257 K CB -0.387 32.024 32.500 -0.149 0.000 0.732 257 K HN 0.253 nan 8.250 nan 0.000 0.451 258 Y N 1.360 121.140 120.300 -0.866 0.000 2.070 258 Y HA -0.237 4.313 4.550 -0.000 0.000 0.280 258 Y C 2.420 178.182 175.900 -0.229 0.000 1.148 258 Y CA 2.066 59.708 58.100 -0.764 0.000 1.125 258 Y CB -0.716 37.315 38.460 -0.715 0.000 0.975 258 Y HN 0.044 nan 8.280 nan 0.000 0.492 259 G N -0.751 108.011 108.800 -0.062 0.000 2.408 259 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 259 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 259 G C 1.781 176.677 174.900 -0.006 0.000 1.150 259 G CA 0.847 45.938 45.100 -0.015 0.000 0.776 259 G HN 0.624 nan 8.290 nan 0.000 0.542 260 A N 0.888 123.717 122.820 0.015 0.000 1.883 260 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 260 A C 2.385 180.000 177.584 0.051 0.000 1.186 260 A CA 1.955 54.023 52.037 0.051 0.000 0.624 260 A CB -0.260 18.793 19.000 0.088 0.000 0.822 260 A HN 0.203 nan 8.150 nan 0.000 0.444 261 K N -0.753 119.710 120.400 0.106 0.000 2.103 261 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 261 K C 1.833 178.450 176.600 0.027 0.000 1.052 261 K CA 0.834 57.238 56.287 0.194 0.000 0.945 261 K CB -0.873 31.896 32.500 0.449 0.000 0.722 261 K HN 0.413 nan 8.250 nan 0.000 0.443 262 L N 0.979 122.158 121.223 -0.073 0.000 2.083 262 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 262 L C 2.019 178.698 176.870 -0.319 0.000 1.083 262 L CA 2.035 56.643 54.840 -0.388 0.000 0.752 262 L CB -1.050 40.765 42.059 -0.406 0.000 0.899 262 L HN 0.231 nan 8.230 nan 0.000 0.433 263 G N -1.691 106.983 108.800 -0.211 0.000 2.421 263 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.216 263 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.216 263 G C 1.521 176.184 174.900 -0.395 0.000 1.171 263 G CA 1.383 46.322 45.100 -0.269 0.000 0.775 263 G HN 0.505 nan 8.290 nan 0.000 0.543 264 T N -0.721 113.660 114.554 -0.288 0.000 2.788 264 T HA -0.082 4.267 4.350 -0.000 0.000 0.268 264 T C 2.280 176.877 174.700 -0.173 0.000 1.044 264 T CA 1.453 63.402 62.100 -0.251 0.000 1.139 264 T CB -0.451 68.453 68.868 0.060 0.000 0.867 264 T HN 0.014 nan 8.240 nan 0.000 0.454 265 V N 1.202 121.021 119.914 -0.158 0.000 2.270 265 V HA -0.055 4.065 4.120 -0.000 0.000 0.245 265 V C 2.646 178.580 176.094 -0.267 0.000 1.043 265 V CA 1.467 63.664 62.300 -0.172 0.000 1.014 265 V CB -0.631 31.023 31.823 -0.281 0.000 0.645 265 V HN 0.367 nan 8.190 nan 0.000 0.447 266 I N -0.235 120.123 120.570 -0.354 0.000 2.394 266 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 266 I C 2.424 178.381 176.117 -0.267 0.000 1.136 266 I CA 1.510 62.608 61.300 -0.336 0.000 1.425 266 I CB -0.527 37.264 38.000 -0.349 0.000 1.079 266 I HN 0.164 nan 8.210 nan 0.000 0.425 267 R N 0.560 120.858 120.500 -0.337 0.000 2.299 267 R HA 0.053 4.393 4.340 -0.000 0.000 0.197 267 R C 0.244 176.474 176.300 -0.117 0.000 0.971 267 R CA 0.085 55.980 56.100 -0.341 0.000 1.030 267 R CB -0.057 29.719 30.300 -0.873 0.000 0.932 267 R HN 0.188 nan 8.270 nan 0.000 0.477 268 K N -0.362 119.984 120.400 -0.090 0.000 3.125 268 K HA -0.162 4.158 4.320 -0.000 0.000 0.268 268 K C -1.068 175.681 176.600 0.249 0.000 1.078 268 K CA 0.330 56.644 56.287 0.045 0.000 0.775 268 K CB -1.022 31.489 32.500 0.019 0.000 1.253 268 K HN 0.136 nan 8.250 nan 0.000 0.486 269 W N 1.102 122.400 121.300 -0.003 0.000 2.251 269 W HA 0.216 4.877 4.660 0.001 0.000 0.329 269 W C 1.097 177.633 176.519 0.028 0.000 1.234 269 W CA -0.487 56.864 57.345 0.010 0.000 1.228 269 W CB -0.190 29.277 29.460 0.012 0.000 1.135 269 W HN 0.287 nan 8.180 nan 0.000 0.576 270 N N 0.584 119.407 118.700 0.204 0.000 2.725 270 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 270 N C 0.896 176.482 175.510 0.128 0.000 1.103 270 N CA 0.401 53.526 53.050 0.125 0.000 0.707 270 N CB -1.157 37.410 38.487 0.134 0.000 1.043 270 N HN 0.934 nan 8.380 nan 0.000 0.553 271 G N -0.526 108.350 108.800 0.128 0.000 2.168 271 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.263 271 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.263 271 G C -0.057 174.938 174.900 0.159 0.000 0.977 271 G CA 0.761 45.933 45.100 0.120 0.000 0.659 271 G HN 0.633 nan 8.290 nan 0.000 0.533 272 E N 0.466 120.777 120.200 0.186 0.000 2.390 272 E HA 0.474 4.823 4.350 -0.000 0.000 0.261 272 E C 0.522 177.130 176.600 0.013 0.000 1.076 272 E CA 0.392 56.934 56.400 0.236 0.000 0.905 272 E CB 0.519 30.370 29.700 0.251 0.000 0.984 272 E HN 0.673 nan 8.360 nan 0.000 0.427 273 K N 0.953 121.243 120.400 -0.183 0.000 2.532 273 K HA 0.322 4.642 4.320 -0.000 0.000 0.265 273 K C 0.377 176.798 176.600 -0.298 0.000 0.948 273 K CA -0.823 55.275 56.287 -0.316 0.000 0.842 273 K CB 1.065 33.298 32.500 -0.444 0.000 1.392 273 K HN 0.313 nan 8.250 nan 0.000 0.436 274 M N 1.138 120.572 119.600 -0.277 0.000 2.267 274 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 274 M C 1.757 178.016 176.300 -0.069 0.000 1.063 274 M CA 2.089 57.224 55.300 -0.275 0.000 1.090 274 M CB -0.447 31.944 32.600 -0.349 0.000 1.392 274 M HN 0.875 nan 8.290 nan 0.000 0.422 275 S N -0.374 115.279 115.700 -0.078 0.000 2.442 275 S HA -0.155 4.315 4.470 -0.000 0.000 0.236 275 S C 1.473 176.228 174.600 0.258 0.000 1.007 275 S CA 0.844 59.131 58.200 0.144 0.000 0.965 275 S CB -0.719 62.482 63.200 0.000 0.000 0.773 275 S HN 0.447 nan 8.310 nan 0.000 0.504 276 Y N 1.692 122.077 120.300 0.142 0.000 2.571 276 Y HA 0.308 4.857 4.550 -0.000 0.000 0.294 276 Y C 1.772 177.838 175.900 0.277 0.000 1.141 276 Y CA -0.730 57.478 58.100 0.181 0.000 1.308 276 Y CB -0.794 37.797 38.460 0.218 0.000 1.002 276 Y HN 0.288 nan 8.280 nan 0.000 0.551 277 L N -0.077 121.284 121.223 0.230 0.000 2.622 277 L HA -0.112 4.228 4.340 -0.000 0.000 0.233 277 L C 2.314 179.088 176.870 -0.161 0.000 1.156 277 L CA 0.600 55.421 54.840 -0.032 0.000 0.866 277 L CB -0.355 41.472 42.059 -0.386 0.000 0.980 277 L HN 0.110 nan 8.230 nan 0.000 0.448 278 K N 1.758 121.896 120.400 -0.438 0.000 2.160 278 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 278 K C 1.211 177.519 176.600 -0.487 0.000 1.047 278 K CA 1.796 57.439 56.287 -1.073 0.000 0.930 278 K CB 0.056 31.983 32.500 -0.955 0.000 0.720 278 K HN 0.420 nan 8.250 nan 0.000 0.450 279 N N -0.355 118.263 118.700 -0.136 0.000 2.389 279 N HA -0.075 4.665 4.740 -0.000 0.000 0.260 279 N C -0.722 174.816 175.510 0.047 0.000 1.191 279 N CA -0.556 52.460 53.050 -0.056 0.000 0.885 279 N CB -0.514 37.961 38.487 -0.020 0.000 1.162 279 N HN 0.253 nan 8.380 nan 0.000 0.512 280 W N 1.544 122.625 121.300 -0.365 0.000 2.314 280 W HA 0.311 4.971 4.660 -0.000 0.000 0.339 280 W C 0.450 176.587 176.519 -0.637 0.000 1.293 280 W CA 2.148 59.022 57.345 -0.785 0.000 1.288 280 W CB 0.411 29.375 29.460 -0.827 0.000 1.186 280 W HN 0.456 nan 8.180 nan 0.000 0.566 281 G N 3.935 111.955 108.800 -1.301 0.000 2.317 281 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.196 281 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.196 281 G C 0.286 174.733 174.900 -0.755 0.000 1.255 281 G CA 0.050 44.508 45.100 -1.070 0.000 1.243 281 G HN 0.436 nan 8.290 nan 0.000 0.535 282 E N 0.627 120.665 120.200 -0.270 0.000 2.130 282 E HA 0.014 4.364 4.350 -0.000 0.000 0.196 282 E C 2.537 179.025 176.600 -0.187 0.000 0.998 282 E CA 1.980 58.311 56.400 -0.115 0.000 0.806 282 E CB -0.623 29.087 29.700 0.016 0.000 0.738 282 E HN 0.864 nan 8.360 nan 0.000 0.459 283 G N -0.477 108.216 108.800 -0.178 0.000 2.479 283 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 283 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 283 G C 0.494 175.262 174.900 -0.219 0.000 1.115 283 G CA 0.512 45.525 45.100 -0.144 0.000 0.757 283 G HN 0.264 nan 8.290 nan 0.000 0.560 284 W N -0.146 120.725 121.300 -0.714 0.000 3.316 284 W HA 0.446 5.106 4.660 -0.000 0.000 0.327 284 W C 1.617 177.728 176.519 -0.679 0.000 1.232 284 W CA -0.272 56.568 57.345 -0.842 0.000 1.805 284 W CB 0.039 28.622 29.460 -1.461 0.000 1.090 284 W HN 0.304 nan 8.180 nan 0.000 0.654 285 G N -0.571 108.067 108.800 -0.271 0.000 2.132 285 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.234 285 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.234 285 G C -0.033 174.963 174.900 0.160 0.000 0.989 285 G CA -0.574 44.494 45.100 -0.053 0.000 0.676 285 G HN -0.016 nan 8.290 nan 0.000 0.522 286 F N 0.335 120.238 119.950 -0.078 0.000 2.378 286 F HA 0.622 5.149 4.527 -0.000 0.000 0.319 286 F C 1.430 177.280 175.800 0.084 0.000 1.155 286 F CA -1.410 56.555 58.000 -0.058 0.000 1.157 286 F CB 0.485 39.305 39.000 -0.299 0.000 1.252 286 F HN 0.340 nan 8.300 nan 0.000 0.550 287 V N -0.257 119.886 119.914 0.382 0.000 3.237 287 V HA 0.277 4.397 4.120 -0.000 0.000 0.305 287 V C -2.496 173.766 176.094 0.279 0.000 1.096 287 V CA -1.791 60.724 62.300 0.358 0.000 1.130 287 V CB -0.415 31.652 31.823 0.407 0.000 1.048 287 V HN 0.523 nan 8.190 nan 0.000 0.484 288 P HA 0.069 nan 4.420 nan 0.000 0.265 288 P C 0.987 178.228 177.300 -0.098 0.000 1.193 288 P CA 0.706 63.807 63.100 0.001 0.000 0.765 288 P CB 0.757 32.367 31.700 -0.150 0.000 0.823 289 S N 2.818 118.447 115.700 -0.119 0.000 2.380 289 S HA -0.216 4.254 4.470 -0.000 0.000 0.229 289 S C 1.323 175.708 174.600 -0.359 0.000 1.043 289 S CA 2.045 59.960 58.200 -0.475 0.000 1.038 289 S CB -0.906 62.102 63.200 -0.319 0.000 0.872 289 S HN 0.637 nan 8.310 nan 0.000 0.456 290 D N -0.384 119.866 120.400 -0.250 0.000 2.378 290 D HA -0.026 4.614 4.640 -0.000 0.000 0.227 290 D C 1.289 177.435 176.300 -0.256 0.000 1.012 290 D CA 0.296 54.161 54.000 -0.225 0.000 0.905 290 D CB -0.239 40.434 40.800 -0.211 0.000 0.895 290 D HN 0.295 nan 8.370 nan 0.000 0.532 291 R N -0.290 120.029 120.500 -0.301 0.000 2.549 291 R HA 0.435 4.775 4.340 -0.000 0.000 0.344 291 R C -0.110 176.118 176.300 -0.121 0.000 0.979 291 R CA -0.190 55.737 56.100 -0.287 0.000 1.140 291 R CB 0.921 30.777 30.300 -0.739 0.000 1.377 291 R HN 0.172 nan 8.270 nan 0.000 0.541 292 A N 1.601 124.330 122.820 -0.152 0.000 2.305 292 A HA 0.557 4.877 4.320 -0.000 0.000 0.322 292 A C -0.657 176.884 177.584 -0.073 0.000 1.187 292 A CA -0.471 51.499 52.037 -0.113 0.000 0.825 292 A CB 1.030 19.887 19.000 -0.237 0.000 1.164 292 A HN 0.111 nan 8.150 nan 0.000 0.498 293 L N 4.936 126.146 121.223 -0.022 0.000 2.319 293 L HA 0.659 4.999 4.340 -0.000 0.000 0.281 293 L C -0.444 176.402 176.870 -0.040 0.000 1.005 293 L CA -0.358 54.483 54.840 0.001 0.000 0.828 293 L CB 0.903 42.936 42.059 -0.044 0.000 1.227 293 L HN 0.692 nan 8.230 nan 0.000 0.415 294 V N 3.027 122.847 119.914 -0.157 0.000 2.994 294 V HA 0.850 4.970 4.120 -0.000 0.000 0.318 294 V C -0.712 175.279 176.094 -0.171 0.000 1.085 294 V CA -0.634 61.394 62.300 -0.453 0.000 0.998 294 V CB 1.896 33.119 31.823 -1.000 0.000 1.063 294 V HN 0.743 nan 8.190 nan 0.000 0.447 295 F N -1.033 118.713 119.950 -0.340 0.000 2.770 295 F HA 0.743 5.269 4.527 -0.000 0.000 0.313 295 F C -0.015 175.795 175.800 0.015 0.000 1.154 295 F CA -0.872 57.039 58.000 -0.148 0.000 0.923 295 F CB 0.629 39.549 39.000 -0.134 0.000 1.301 295 F HN 0.243 nan 8.300 nan 0.000 0.449 296 V N 0.053 120.089 119.914 0.203 0.000 2.379 296 V HA 0.050 4.170 4.120 -0.000 0.000 0.243 296 V C 0.129 176.391 176.094 0.280 0.000 1.035 296 V CA 1.988 64.398 62.300 0.184 0.000 1.035 296 V CB -0.500 31.393 31.823 0.117 0.000 0.673 296 V HN 0.915 nan 8.190 nan 0.000 0.457 297 D N -0.423 120.228 120.400 0.417 0.000 2.570 297 D HA 0.302 4.942 4.640 -0.000 0.000 0.244 297 D C -1.057 175.455 176.300 0.353 0.000 1.178 297 D CA -0.631 53.603 54.000 0.390 0.000 0.881 297 D CB 1.798 42.777 40.800 0.300 0.000 1.453 297 D HN 0.279 nan 8.370 nan 0.000 0.447 298 N N -1.579 117.232 118.700 0.186 0.000 2.629 298 N HA 0.096 4.836 4.740 -0.000 0.000 0.279 298 N C 1.194 176.607 175.510 -0.162 0.000 1.344 298 N CA -0.503 52.509 53.050 -0.063 0.000 0.789 298 N CB 0.561 38.859 38.487 -0.315 0.000 1.508 298 N HN 0.600 nan 8.380 nan 0.000 0.516 299 H N -1.076 117.805 119.070 -0.316 0.000 2.457 299 H HA -0.123 4.433 4.556 -0.000 0.000 0.297 299 H C 0.354 175.280 175.328 -0.670 0.000 1.092 299 H CA 1.537 57.136 56.048 -0.750 0.000 1.309 299 H CB -0.003 28.919 29.762 -1.401 0.000 1.382 299 H HN 0.674 nan 8.280 nan 0.000 0.535 300 D N 1.764 121.560 120.400 -1.007 0.000 2.146 300 D HA -0.132 4.507 4.640 -0.000 0.000 0.209 300 D C 1.615 177.826 176.300 -0.148 0.000 0.973 300 D CA 1.226 54.876 54.000 -0.583 0.000 0.860 300 D CB 0.014 40.536 40.800 -0.463 0.000 1.015 300 D HN 0.551 nan 8.370 nan 0.000 0.465 301 N N 0.846 119.522 118.700 -0.040 0.000 2.515 301 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 301 N C 1.612 177.192 175.510 0.116 0.000 1.109 301 N CA 0.660 53.767 53.050 0.095 0.000 0.903 301 N CB -0.765 37.831 38.487 0.182 0.000 0.969 301 N HN 0.425 nan 8.380 nan 0.000 0.450 302 Q N 0.574 120.419 119.800 0.074 0.000 2.435 302 Q HA -0.032 4.308 4.340 -0.000 0.000 0.207 302 Q C 0.629 176.792 176.000 0.272 0.000 0.956 302 Q CA 0.497 56.395 55.803 0.157 0.000 0.917 302 Q CB -0.136 28.688 28.738 0.143 0.000 0.997 302 Q HN 0.558 nan 8.270 nan 0.000 0.497 303 R N -0.595 120.017 120.500 0.187 0.000 2.700 303 R HA 0.440 4.780 4.340 -0.000 0.000 0.377 303 R C 0.705 177.097 176.300 0.153 0.000 1.130 303 R CA 0.051 56.301 56.100 0.250 0.000 1.055 303 R CB 0.224 30.574 30.300 0.083 0.000 1.387 303 R HN 0.208 nan 8.270 nan 0.000 0.580 304 G N 1.152 110.046 108.800 0.157 0.000 2.205 304 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.269 304 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.269 304 G C 0.558 175.505 174.900 0.078 0.000 0.977 304 G CA 1.091 46.257 45.100 0.110 0.000 0.652 304 G HN 0.682 nan 8.290 nan 0.000 0.539 305 H N 0.406 119.544 119.070 0.112 0.000 2.561 305 H HA 0.368 4.924 4.556 -0.000 0.000 0.278 305 H C 1.835 177.199 175.328 0.060 0.000 1.014 305 H CA 1.088 57.210 56.048 0.124 0.000 1.211 305 H CB 0.309 30.211 29.762 0.233 0.000 1.365 305 H HN 0.680 nan 8.280 nan 0.000 0.594 306 G N -1.144 107.738 108.800 0.136 0.000 3.021 306 G HA2 0.559 4.519 3.960 -0.000 0.000 0.290 306 G HA3 0.559 4.519 3.960 -0.000 0.000 0.290 306 G C -1.125 173.775 174.900 -0.001 0.000 1.291 306 G CA -0.353 44.767 45.100 0.032 0.000 0.834 306 G HN 0.264 nan 8.290 nan 0.000 0.564 307 A N -1.127 121.630 122.820 -0.105 0.000 2.524 307 A HA 0.540 4.860 4.320 -0.000 0.000 0.250 307 A C 1.340 178.971 177.584 0.078 0.000 1.078 307 A CA 1.613 53.593 52.037 -0.095 0.000 0.761 307 A CB -0.388 18.404 19.000 -0.348 0.000 1.012 307 A HN 2.563 nan 8.150 nan 0.000 0.500 308 G N 1.286 110.132 108.800 0.077 0.000 2.699 308 G HA2 0.312 4.272 3.960 -0.000 0.000 0.198 308 G HA3 0.312 4.272 3.960 -0.000 0.000 0.198 308 G C 1.614 176.581 174.900 0.112 0.000 1.033 308 G CA 0.800 45.968 45.100 0.113 0.000 0.728 308 G HN 2.833 nan 8.290 nan 0.000 0.484 309 G N 0.445 109.309 108.800 0.105 0.000 2.550 309 G HA2 0.153 4.113 3.960 -0.000 0.000 0.277 309 G HA3 0.153 4.113 3.960 -0.000 0.000 0.277 309 G C 1.427 176.420 174.900 0.154 0.000 1.190 309 G CA 2.336 47.509 45.100 0.121 0.000 0.971 309 G HN 1.960 nan 8.290 nan 0.000 0.559 310 A N -0.249 122.697 122.820 0.210 0.000 2.119 310 A HA 0.296 4.616 4.320 -0.000 0.000 0.217 310 A C 2.656 180.389 177.584 0.248 0.000 1.153 310 A CA 2.862 55.065 52.037 0.277 0.000 0.692 310 A CB -0.667 18.544 19.000 0.351 0.000 0.799 310 A HN 2.127 nan 8.150 nan 0.000 0.458 311 S N -0.326 115.447 115.700 0.120 0.000 2.436 311 S HA 0.086 4.556 4.470 -0.000 0.000 0.228 311 S C 0.802 175.278 174.600 -0.208 0.000 1.014 311 S CA -0.128 57.879 58.200 -0.321 0.000 0.950 311 S CB -0.438 62.627 63.200 -0.224 0.000 0.784 311 S HN 0.273 nan 8.310 nan 0.000 0.504 312 I N 3.023 123.580 120.570 -0.023 0.000 2.826 312 I HA 0.066 4.236 4.170 -0.000 0.000 0.295 312 I C 0.347 176.484 176.117 0.034 0.000 1.213 312 I CA 0.063 61.383 61.300 0.034 0.000 1.436 312 I CB -0.574 37.494 38.000 0.113 0.000 1.348 312 I HN 0.339 nan 8.210 nan 0.000 0.570 313 L N 6.970 128.236 121.223 0.071 0.000 2.334 313 L HA 0.443 4.783 4.340 -0.000 0.000 0.277 313 L C 0.648 177.634 176.870 0.194 0.000 1.075 313 L CA -0.219 54.702 54.840 0.136 0.000 0.804 313 L CB 1.539 43.706 42.059 0.180 0.000 1.174 313 L HN 0.790 nan 8.230 nan 0.000 0.438 314 T N -1.894 112.636 114.554 -0.039 0.000 2.778 314 T HA 0.324 4.674 4.350 -0.000 0.000 0.293 314 T C 0.751 174.914 174.700 -0.895 0.000 1.144 314 T CA -0.625 61.172 62.100 -0.505 0.000 1.010 314 T CB 0.737 69.455 68.868 -0.250 0.000 1.325 314 T HN 0.415 nan 8.240 nan 0.000 0.515 315 F N -1.037 118.347 119.950 -0.944 0.000 2.307 315 F HA 0.148 4.675 4.527 0.000 0.000 0.301 315 F C 1.692 177.398 175.800 -0.157 0.000 1.076 315 F CA 0.114 57.797 58.000 -0.529 0.000 1.383 315 F CB -1.080 37.654 39.000 -0.443 0.000 1.055 315 F HN 0.563 nan 8.300 nan 0.000 0.526 316 W N 1.667 122.518 121.300 -0.747 0.000 2.374 316 W HA -0.109 4.551 4.660 0.001 0.000 0.288 316 W C 0.818 177.262 176.519 -0.126 0.000 1.218 316 W CA 1.008 58.094 57.345 -0.432 0.000 1.245 316 W CB -0.224 28.920 29.460 -0.527 0.000 1.126 316 W HN 0.017 nan 8.180 nan 0.000 0.545 317 D N 0.169 120.638 120.400 0.115 0.000 3.179 317 D HA 0.253 4.893 4.640 -0.000 0.000 0.267 317 D C 1.447 177.879 176.300 0.220 0.000 1.348 317 D CA 0.276 54.360 54.000 0.141 0.000 0.897 317 D CB 0.286 41.148 40.800 0.104 0.000 1.062 317 D HN 0.032 nan 8.370 nan 0.000 0.494 318 A N 1.618 124.595 122.820 0.262 0.000 1.893 318 A HA -0.349 3.971 4.320 -0.000 0.000 0.222 318 A C 2.201 179.986 177.584 0.335 0.000 1.309 318 A CA 1.899 54.156 52.037 0.367 0.000 0.681 318 A CB -0.511 18.599 19.000 0.183 0.000 0.842 318 A HN 0.347 nan 8.150 nan 0.000 0.468 319 R N -0.596 120.025 120.500 0.201 0.000 2.080 319 R HA -0.108 4.232 4.340 -0.000 0.000 0.236 319 R C 2.156 178.560 176.300 0.172 0.000 1.137 319 R CA 1.970 58.173 56.100 0.173 0.000 0.943 319 R CB -0.422 29.944 30.300 0.110 0.000 0.846 319 R HN 0.579 nan 8.270 nan 0.000 0.431 320 L N -0.794 120.510 121.223 0.135 0.000 2.156 320 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 320 L C 2.312 179.242 176.870 0.101 0.000 1.095 320 L CA 0.864 55.743 54.840 0.065 0.000 0.770 320 L CB -0.588 41.482 42.059 0.018 0.000 0.914 320 L HN 0.279 nan 8.230 nan 0.000 0.439 321 Y N 1.486 121.834 120.300 0.081 0.000 2.128 321 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 321 Y C 2.559 178.536 175.900 0.129 0.000 1.154 321 Y CA 1.568 59.732 58.100 0.107 0.000 1.149 321 Y CB -0.152 38.424 38.460 0.194 0.000 0.976 321 Y HN -0.002 nan 8.280 nan 0.000 0.505 322 K N -0.693 119.851 120.400 0.240 0.000 2.103 322 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 322 K C 2.208 178.793 176.600 -0.026 0.000 1.048 322 K CA 1.756 58.175 56.287 0.221 0.000 0.930 322 K CB -0.221 32.554 32.500 0.458 0.000 0.716 322 K HN 0.389 nan 8.250 nan 0.000 0.444 323 M N 0.007 119.494 119.600 -0.189 0.000 2.132 323 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 323 M C 2.443 178.516 176.300 -0.378 0.000 1.065 323 M CA 1.400 56.357 55.300 -0.571 0.000 1.122 323 M CB -0.350 32.027 32.600 -0.371 0.000 1.365 323 M HN 0.215 nan 8.290 nan 0.000 0.411 324 A N -0.107 122.545 122.820 -0.281 0.000 1.877 324 A HA -0.115 4.204 4.320 -0.000 0.000 0.216 324 A C 2.164 179.650 177.584 -0.163 0.000 1.186 324 A CA 1.674 53.559 52.037 -0.253 0.000 0.620 324 A CB -1.016 17.855 19.000 -0.215 0.000 0.822 324 A HN 0.311 nan 8.150 nan 0.000 0.443 325 V N 0.017 119.786 119.914 -0.242 0.000 2.407 325 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 325 V C 2.795 178.857 176.094 -0.054 0.000 1.055 325 V CA 1.895 64.087 62.300 -0.181 0.000 1.049 325 V CB -1.487 30.160 31.823 -0.294 0.000 0.662 325 V HN 0.625 nan 8.190 nan 0.000 0.455 326 G N -0.846 107.921 108.800 -0.056 0.000 2.421 326 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.216 326 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.216 326 G C 1.567 176.527 174.900 0.099 0.000 1.171 326 G CA 1.022 46.135 45.100 0.021 0.000 0.775 326 G HN 0.487 nan 8.290 nan 0.000 0.543 327 F N 0.888 120.811 119.950 -0.044 0.000 2.134 327 F HA 0.020 4.547 4.527 0.000 0.000 0.299 327 F C 2.647 178.497 175.800 0.083 0.000 1.097 327 F CA 1.989 59.975 58.000 -0.023 0.000 1.264 327 F CB -0.118 38.596 39.000 -0.477 0.000 1.001 327 F HN 0.161 nan 8.300 nan 0.000 0.479 328 M N -0.057 119.641 119.600 0.163 0.000 2.080 328 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 328 M C 1.936 178.299 176.300 0.105 0.000 1.068 328 M CA 1.949 57.378 55.300 0.215 0.000 1.109 328 M CB -0.439 32.298 32.600 0.229 0.000 1.342 328 M HN 0.290 nan 8.290 nan 0.000 0.405 329 L N -0.068 121.179 121.223 0.039 0.000 2.275 329 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 329 L C 2.594 179.499 176.870 0.058 0.000 1.119 329 L CA 0.829 55.678 54.840 0.016 0.000 0.790 329 L CB -0.749 41.300 42.059 -0.017 0.000 0.919 329 L HN 0.432 nan 8.230 nan 0.000 0.443 330 A N -2.040 120.791 122.820 0.018 0.000 1.984 330 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 330 A C 1.190 178.977 177.584 0.338 0.000 1.173 330 A CA 0.225 52.318 52.037 0.094 0.000 0.673 330 A CB -0.345 18.547 19.000 -0.180 0.000 0.830 330 A HN 0.292 nan 8.150 nan 0.000 0.453 331 H N 1.013 120.143 119.070 0.100 0.000 2.683 331 H HA 0.168 4.724 4.556 0.000 0.000 0.339 331 H C -1.628 173.776 175.328 0.128 0.000 1.081 331 H CA -1.388 54.685 56.048 0.042 0.000 1.432 331 H CB 1.460 31.049 29.762 -0.288 0.000 1.462 331 H HN 0.104 nan 8.280 nan 0.000 0.557 332 P HA -0.172 nan 4.420 nan 0.000 0.222 332 P C 0.321 177.733 177.300 0.186 0.000 1.147 332 P CA 0.726 63.855 63.100 0.048 0.000 0.790 332 P CB -0.134 31.539 31.700 -0.045 0.000 0.780 333 Y N 2.138 122.646 120.300 0.348 0.000 2.620 333 Y HA 0.315 4.865 4.550 -0.000 0.000 0.330 333 Y C 1.311 177.266 175.900 0.091 0.000 1.186 333 Y CA 1.325 59.561 58.100 0.227 0.000 1.467 333 Y CB -0.277 38.337 38.460 0.256 0.000 1.262 333 Y HN 0.313 nan 8.280 nan 0.000 0.550 334 G N 4.553 112.940 108.800 -0.687 0.000 2.806 334 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.236 334 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.236 334 G C -1.329 173.478 174.900 -0.155 0.000 1.387 334 G CA -0.197 44.594 45.100 -0.516 0.000 0.884 334 G HN 0.931 nan 8.290 nan 0.000 0.560 335 F N 1.862 121.662 119.950 -0.250 0.000 2.427 335 F HA 0.647 5.174 4.527 -0.000 0.000 0.346 335 F C 1.121 176.812 175.800 -0.182 0.000 1.120 335 F CA 0.036 57.923 58.000 -0.189 0.000 1.033 335 F CB 1.558 40.452 39.000 -0.177 0.000 1.126 335 F HN 0.852 nan 8.300 nan 0.000 0.462 336 T N 4.030 118.183 114.554 -0.668 0.000 2.845 336 T HA 0.443 4.792 4.350 -0.000 0.000 0.288 336 T C -0.397 174.041 174.700 -0.436 0.000 0.980 336 T CA -0.881 60.947 62.100 -0.453 0.000 1.071 336 T CB 1.429 70.104 68.868 -0.321 0.000 0.941 336 T HN 0.806 nan 8.240 nan 0.000 0.487 337 R N 2.239 122.627 120.500 -0.185 0.000 2.480 337 R HA 0.598 4.938 4.340 -0.000 0.000 0.306 337 R C -1.506 174.794 176.300 0.001 0.000 0.958 337 R CA -0.724 55.317 56.100 -0.098 0.000 0.861 337 R CB 1.490 31.736 30.300 -0.089 0.000 1.171 337 R HN 0.608 nan 8.270 nan 0.000 0.445 338 V N 5.369 125.300 119.914 0.028 0.000 2.481 338 V HA 0.339 4.459 4.120 -0.000 0.000 0.286 338 V C 0.218 176.377 176.094 0.109 0.000 1.042 338 V CA -0.710 61.641 62.300 0.085 0.000 0.928 338 V CB 1.488 33.393 31.823 0.137 0.000 0.986 338 V HN 0.796 nan 8.190 nan 0.000 0.462 339 M N 3.850 123.536 119.600 0.144 0.000 2.314 339 M HA 0.532 5.012 4.480 -0.000 0.000 0.342 339 M C -0.190 176.163 176.300 0.088 0.000 1.171 339 M CA 0.538 55.925 55.300 0.144 0.000 1.098 339 M CB 1.556 34.277 32.600 0.202 0.000 1.559 339 M HN 0.626 nan 8.290 nan 0.000 0.459 340 S N 2.473 118.194 115.700 0.034 0.000 2.779 340 S HA 0.774 5.244 4.470 -0.000 0.000 0.293 340 S C -1.231 173.448 174.600 0.132 0.000 1.150 340 S CA -0.603 57.622 58.200 0.042 0.000 1.057 340 S CB 0.616 63.757 63.200 -0.098 0.000 1.021 340 S HN 0.840 nan 8.310 nan 0.000 0.485 341 S N 2.853 118.610 115.700 0.095 0.000 2.798 341 S HA 0.818 5.288 4.470 -0.000 0.000 0.312 341 S C -1.339 173.350 174.600 0.149 0.000 1.122 341 S CA -0.731 57.534 58.200 0.107 0.000 0.949 341 S CB 0.713 63.885 63.200 -0.047 0.000 1.235 341 S HN 0.782 nan 8.310 nan 0.000 0.552 342 Y N -0.897 119.468 120.300 0.107 0.000 2.545 342 Y HA 0.761 5.311 4.550 -0.000 0.000 0.348 342 Y C -0.535 175.362 175.900 -0.006 0.000 1.002 342 Y CA -1.437 56.607 58.100 -0.092 0.000 1.039 342 Y CB 0.686 38.935 38.460 -0.352 0.000 1.271 342 Y HN 0.402 nan 8.280 nan 0.000 0.467 343 R N 1.555 122.125 120.500 0.118 0.000 2.490 343 R HA 0.458 4.798 4.340 -0.000 0.000 0.278 343 R C -1.463 175.151 176.300 0.523 0.000 1.069 343 R CA -0.349 55.869 56.100 0.197 0.000 1.080 343 R CB 0.868 31.182 30.300 0.023 0.000 1.030 343 R HN 0.948 nan 8.270 nan 0.000 0.491 344 W N 1.584 123.143 121.300 0.431 0.000 3.033 344 W HA 0.481 5.140 4.660 -0.001 0.000 0.336 344 W C -2.595 174.083 176.519 0.266 0.000 1.173 344 W CA -2.666 54.851 57.345 0.286 0.000 1.185 344 W CB 0.399 30.017 29.460 0.264 0.000 1.425 344 W HN 0.316 nan 8.180 nan 0.000 0.536 345 P HA 0.126 nan 4.420 nan 0.000 0.268 345 P C -0.288 176.973 177.300 -0.065 0.000 1.485 345 P CA 0.071 63.190 63.100 0.032 0.000 1.102 345 P CB 0.363 32.102 31.700 0.065 0.000 1.501 346 R N 2.759 123.027 120.500 -0.386 0.000 2.489 346 R HA 0.147 4.487 4.340 -0.000 0.000 0.287 346 R C 0.445 176.565 176.300 -0.301 0.000 1.053 346 R CA 0.361 56.183 56.100 -0.463 0.000 1.036 346 R CB 0.516 30.272 30.300 -0.907 0.000 0.966 346 R HN 0.518 nan 8.270 nan 0.000 0.432 347 Q N 3.374 123.002 119.800 -0.286 0.000 2.589 347 Q HA 0.208 4.548 4.340 -0.000 0.000 0.245 347 Q C -1.291 174.606 176.000 -0.171 0.000 0.931 347 Q CA -0.329 55.391 55.803 -0.140 0.000 0.730 347 Q CB 1.217 29.941 28.738 -0.023 0.000 1.315 347 Q HN 0.410 nan 8.270 nan 0.000 0.469 348 F N 1.569 121.503 119.950 -0.027 0.000 2.429 348 F HA 0.256 4.783 4.527 -0.001 0.000 0.348 348 F C 0.706 176.510 175.800 0.007 0.000 1.109 348 F CA 0.196 58.190 58.000 -0.011 0.000 1.232 348 F CB 0.877 39.853 39.000 -0.040 0.000 1.157 348 F HN 0.248 nan 8.300 nan 0.000 0.564 349 Q N 2.669 122.591 119.800 0.203 0.000 2.374 349 Q HA 0.214 4.554 4.340 -0.000 0.000 0.250 349 Q C -0.887 175.182 176.000 0.116 0.000 0.918 349 Q CA -0.774 55.105 55.803 0.128 0.000 0.778 349 Q CB 1.486 30.279 28.738 0.092 0.000 1.328 349 Q HN 0.682 nan 8.270 nan 0.000 0.445 350 N N 1.175 119.930 118.700 0.093 0.000 2.780 350 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 350 N C 0.494 176.053 175.510 0.083 0.000 1.102 350 N CA 1.429 54.519 53.050 0.067 0.000 0.697 350 N CB -1.095 37.424 38.487 0.054 0.000 1.028 350 N HN 1.143 nan 8.380 nan 0.000 0.554 351 G N -0.648 108.221 108.800 0.115 0.000 2.148 351 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.254 351 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.254 351 G C -0.145 174.914 174.900 0.265 0.000 0.981 351 G CA 0.579 45.758 45.100 0.132 0.000 0.670 351 G HN 0.961 nan 8.290 nan 0.000 0.528 352 N N -0.277 118.593 118.700 0.284 0.000 2.295 352 N HA 0.494 5.234 4.740 -0.000 0.000 0.293 352 N C -1.364 174.186 175.510 0.066 0.000 1.040 352 N CA -0.919 52.250 53.050 0.198 0.000 0.840 352 N CB 1.969 40.517 38.487 0.102 0.000 1.468 352 N HN 0.001 nan 8.380 nan 0.000 0.478 353 D N 1.543 121.849 120.400 -0.156 0.000 2.352 353 D HA 0.030 4.670 4.640 -0.000 0.000 0.245 353 D C 1.158 177.412 176.300 -0.076 0.000 1.224 353 D CA -0.686 53.077 54.000 -0.394 0.000 0.879 353 D CB 1.044 41.529 40.800 -0.526 0.000 1.057 353 D HN 0.474 nan 8.370 nan 0.000 0.491 354 V N 1.750 121.665 119.914 0.001 0.000 3.380 354 V HA 0.077 4.197 4.120 -0.000 0.000 0.268 354 V C 0.690 176.949 176.094 0.275 0.000 1.168 354 V CA 0.652 63.046 62.300 0.157 0.000 1.156 354 V CB -0.471 31.448 31.823 0.160 0.000 0.785 354 V HN 0.364 nan 8.190 nan 0.000 0.487 355 N N 1.759 120.528 118.700 0.115 0.000 2.328 355 N HA 0.081 4.821 4.740 -0.000 0.000 0.247 355 N C 0.884 176.268 175.510 -0.210 0.000 1.165 355 N CA 0.716 53.705 53.050 -0.101 0.000 0.873 355 N CB 0.251 38.735 38.487 -0.006 0.000 1.125 355 N HN 0.789 nan 8.380 nan 0.000 0.513 356 D N -0.377 120.051 120.400 0.047 0.000 2.371 356 D HA -0.134 4.506 4.640 -0.000 0.000 0.221 356 D C 1.546 178.141 176.300 0.492 0.000 0.986 356 D CA 0.195 54.276 54.000 0.135 0.000 0.899 356 D CB -0.400 40.473 40.800 0.121 0.000 0.902 356 D HN 0.484 nan 8.370 nan 0.000 0.530 357 W N 0.849 122.424 121.300 0.457 0.000 2.737 357 W HA 0.260 4.920 4.660 -0.000 0.000 0.262 357 W C -0.095 176.548 176.519 0.206 0.000 1.282 357 W CA -0.585 56.989 57.345 0.382 0.000 1.386 357 W CB -0.778 28.868 29.460 0.311 0.000 1.099 357 W HN -0.311 nan 8.180 nan 0.000 0.621 358 V N 3.572 123.047 119.914 -0.732 0.000 2.678 358 V HA 0.052 4.172 4.120 -0.000 0.000 0.304 358 V C 1.483 177.588 176.094 0.018 0.000 1.086 358 V CA 1.118 63.045 62.300 -0.621 0.000 1.246 358 V CB -0.610 30.868 31.823 -0.576 0.000 0.861 358 V HN 0.189 nan 8.190 nan 0.000 0.491 359 G N 6.981 115.792 108.800 0.018 0.000 2.588 359 G HA2 0.446 4.406 3.960 -0.000 0.000 0.278 359 G HA3 0.446 4.406 3.960 -0.000 0.000 0.278 359 G C -2.253 172.386 174.900 -0.434 0.000 1.307 359 G CA -0.975 44.103 45.100 -0.037 0.000 1.016 359 G HN 0.654 nan 8.290 nan 0.000 0.503 360 P HA 0.170 nan 4.420 nan 0.000 0.270 360 P C -2.663 174.114 177.300 -0.872 0.000 1.223 360 P CA -0.984 61.251 63.100 -1.442 0.000 0.785 360 P CB -0.068 31.122 31.700 -0.850 0.000 0.923 361 P HA 0.010 nan 4.420 nan 0.000 0.260 361 P C -0.309 176.794 177.300 -0.329 0.000 1.172 361 P CA 0.852 63.596 63.100 -0.594 0.000 0.760 361 P CB -0.274 30.935 31.700 -0.818 0.000 0.773 362 N N 0.995 119.592 118.700 -0.173 0.000 2.825 362 N HA 0.375 5.115 4.740 -0.000 0.000 0.253 362 N C -1.454 174.051 175.510 -0.008 0.000 1.426 362 N CA -0.982 52.027 53.050 -0.068 0.000 0.851 362 N CB 1.195 39.661 38.487 -0.034 0.000 1.470 362 N HN -0.015 nan 8.380 nan 0.000 0.517 363 N N 0.725 119.436 118.700 0.019 0.000 2.569 363 N HA 0.331 5.071 4.740 -0.000 0.000 0.254 363 N C -1.007 174.545 175.510 0.069 0.000 1.004 363 N CA -0.353 52.715 53.050 0.030 0.000 0.904 363 N CB 0.590 39.086 38.487 0.014 0.000 1.165 363 N HN 0.836 nan 8.380 nan 0.000 0.513 364 N N 1.322 120.079 118.700 0.096 0.000 2.735 364 N HA -0.262 4.478 4.740 -0.000 0.000 0.248 364 N C 0.768 176.462 175.510 0.306 0.000 1.083 364 N CA 0.495 53.639 53.050 0.155 0.000 0.703 364 N CB -0.627 37.914 38.487 0.090 0.000 1.005 364 N HN 0.911 nan 8.380 nan 0.000 0.550 365 G N -1.951 107.064 108.800 0.359 0.000 2.241 365 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.244 365 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.244 365 G C 0.109 175.025 174.900 0.027 0.000 0.998 365 G CA 0.174 45.382 45.100 0.181 0.000 0.621 365 G HN 0.363 nan 8.290 nan 0.000 0.519 366 V N 3.846 123.786 119.914 0.043 0.000 2.408 366 V HA 0.379 4.499 4.120 -0.000 0.000 0.267 366 V C 1.115 177.195 176.094 -0.023 0.000 1.047 366 V CA -1.064 61.235 62.300 -0.002 0.000 0.937 366 V CB 1.082 32.912 31.823 0.011 0.000 0.999 366 V HN 0.279 nan 8.190 nan 0.000 0.472 367 I N 5.060 125.599 120.570 -0.053 0.000 2.826 367 I HA 0.018 4.188 4.170 -0.000 0.000 0.295 367 I C 0.917 177.039 176.117 0.009 0.000 1.213 367 I CA 0.340 61.616 61.300 -0.040 0.000 1.436 367 I CB -0.454 37.522 38.000 -0.040 0.000 1.348 367 I HN 0.623 nan 8.210 nan 0.000 0.570 368 K N 5.672 126.100 120.400 0.048 0.000 2.258 368 K HA 0.105 4.425 4.320 -0.000 0.000 0.264 368 K C 0.577 177.269 176.600 0.153 0.000 1.007 368 K CA -0.594 55.744 56.287 0.086 0.000 0.941 368 K CB 0.744 33.282 32.500 0.063 0.000 0.966 368 K HN 0.527 nan 8.250 nan 0.000 0.480 369 E N 1.259 121.479 120.200 0.033 0.000 2.374 369 E HA 0.058 4.408 4.350 -0.000 0.000 0.260 369 E C -0.486 176.008 176.600 -0.178 0.000 1.101 369 E CA -0.485 55.848 56.400 -0.112 0.000 0.907 369 E CB 0.634 30.277 29.700 -0.096 0.000 1.014 369 E HN 0.092 nan 8.360 nan 0.000 0.427 370 V N 2.807 122.385 119.914 -0.561 0.000 2.405 370 V HA 0.099 4.219 4.120 -0.000 0.000 0.264 370 V C 0.267 176.175 176.094 -0.310 0.000 1.048 370 V CA -0.160 61.693 62.300 -0.746 0.000 0.966 370 V CB 0.620 31.605 31.823 -1.397 0.000 1.015 370 V HN 0.640 nan 8.190 nan 0.000 0.477 371 T N 6.725 121.205 114.554 -0.122 0.000 2.882 371 T HA 0.515 4.865 4.350 -0.000 0.000 0.287 371 T C -0.127 174.546 174.700 -0.045 0.000 0.992 371 T CA -0.248 61.818 62.100 -0.057 0.000 1.076 371 T CB 0.832 69.697 68.868 -0.004 0.000 0.961 371 T HN 0.269 nan 8.240 nan 0.000 0.490 372 I N 4.090 124.639 120.570 -0.034 0.000 2.362 372 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 372 I C 0.312 176.426 176.117 -0.004 0.000 0.994 372 I CA -0.947 60.340 61.300 -0.022 0.000 1.158 372 I CB 1.261 39.248 38.000 -0.020 0.000 1.315 372 I HN 0.534 nan 8.210 nan 0.000 0.451 373 N N 8.431 127.133 118.700 0.003 0.000 2.445 373 N HA 0.299 5.039 4.740 -0.000 0.000 0.264 373 N C -1.510 174.008 175.510 0.013 0.000 1.227 373 N CA -1.344 51.712 53.050 0.009 0.000 0.963 373 N CB 0.698 39.193 38.487 0.012 0.000 1.188 373 N HN 0.356 nan 8.380 nan 0.000 0.491 374 P HA -0.123 nan 4.420 nan 0.000 0.223 374 P C 0.148 177.461 177.300 0.022 0.000 1.144 374 P CA 1.190 64.301 63.100 0.018 0.000 0.783 374 P CB 0.214 31.923 31.700 0.015 0.000 0.771 375 D N -1.303 119.109 120.400 0.020 0.000 2.340 375 D HA -0.036 4.604 4.640 -0.000 0.000 0.217 375 D C 0.816 177.136 176.300 0.033 0.000 1.081 375 D CA 1.011 55.025 54.000 0.023 0.000 0.842 375 D CB -0.921 39.887 40.800 0.013 0.000 0.934 375 D HN 0.241 nan 8.370 nan 0.000 0.511 376 T N -4.081 110.490 114.554 0.029 0.000 5.979 376 T HA -0.257 4.093 4.350 -0.000 0.000 0.273 376 T C 0.542 175.236 174.700 -0.011 0.000 2.195 376 T CA 1.341 63.454 62.100 0.021 0.000 3.693 376 T CB -3.084 65.824 68.868 0.066 0.000 0.944 376 T HN 0.566 nan 8.240 nan 0.000 1.117 377 T N -0.952 113.609 114.554 0.012 0.000 2.788 377 T HA 0.666 5.016 4.350 -0.000 0.000 0.280 377 T C 0.900 175.612 174.700 0.020 0.000 0.984 377 T CA -0.257 61.861 62.100 0.031 0.000 0.972 377 T CB 1.268 70.164 68.868 0.047 0.000 1.039 377 T HN 0.625 nan 8.240 nan 0.000 0.530 378 c N 0.158 118.791 118.600 0.054 0.000 2.349 378 c HA 0.915 5.485 4.570 -0.000 0.000 0.361 378 c C 1.300 175.438 174.090 0.080 0.000 1.189 378 c CA -0.287 56.078 56.329 0.060 0.000 2.155 378 c CB 0.861 43.434 42.510 0.105 0.000 2.336 378 c HN 1.206 nan 8.230 nan 0.000 0.540 379 G N -0.025 108.826 108.800 0.084 0.000 3.075 379 G HA2 0.484 4.444 3.960 -0.000 0.000 0.253 379 G HA3 0.484 4.444 3.960 -0.000 0.000 0.253 379 G C -0.213 174.769 174.900 0.136 0.000 1.353 379 G CA -0.230 44.918 45.100 0.079 0.000 1.051 379 G HN 0.733 nan 8.290 nan 0.000 0.553 380 N N 0.348 119.087 118.700 0.065 0.000 2.714 380 N HA -0.153 4.587 4.740 -0.000 0.000 0.250 380 N C -0.041 175.368 175.510 -0.169 0.000 1.117 380 N CA 1.348 54.404 53.050 0.011 0.000 0.719 380 N CB -0.587 37.973 38.487 0.121 0.000 1.081 380 N HN 0.702 nan 8.380 nan 0.000 0.557 381 D N -4.010 116.322 120.400 -0.112 0.000 3.077 381 D HA -0.227 4.413 4.640 -0.000 0.000 0.212 381 D C -0.382 175.783 176.300 -0.226 0.000 1.125 381 D CA 1.067 54.963 54.000 -0.173 0.000 0.970 381 D CB -1.458 39.212 40.800 -0.217 0.000 1.110 381 D HN 0.525 nan 8.370 nan 0.000 0.419 382 W N 0.312 121.590 121.300 -0.037 0.000 2.316 382 W HA 0.361 5.021 4.660 0.000 0.000 0.311 382 W C 1.727 178.232 176.519 -0.024 0.000 1.217 382 W CA -0.878 56.460 57.345 -0.011 0.000 1.199 382 W CB 0.783 30.187 29.460 -0.094 0.000 1.202 382 W HN -0.283 nan 8.180 nan 0.000 0.528 383 V N 2.147 122.129 119.914 0.114 0.000 2.488 383 V HA -0.212 3.907 4.120 -0.000 0.000 0.246 383 V C 1.140 177.295 176.094 0.102 0.000 1.046 383 V CA 0.404 62.671 62.300 -0.054 0.000 1.053 383 V CB -0.895 30.585 31.823 -0.571 0.000 0.679 383 V HN 0.859 nan 8.190 nan 0.000 0.458 384 c N 1.414 120.115 118.600 0.168 0.000 3.690 384 c HA -0.149 4.421 4.570 -0.000 0.000 0.295 384 c C 1.647 175.618 174.090 -0.198 0.000 1.283 384 c CA 0.494 56.903 56.329 0.134 0.000 2.212 384 c CB -2.489 40.067 42.510 0.078 0.000 1.407 384 c HN 0.679 nan 8.230 nan 0.000 0.595 385 E N 0.448 120.419 120.200 -0.382 0.000 2.153 385 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 385 E C 1.969 178.307 176.600 -0.436 0.000 0.988 385 E CA 1.585 57.390 56.400 -0.991 0.000 0.811 385 E CB -0.154 29.140 29.700 -0.677 0.000 0.746 385 E HN 0.974 nan 8.360 nan 0.000 0.466 386 H N -0.083 118.883 119.070 -0.173 0.000 2.545 386 H HA 0.084 4.640 4.556 -0.000 0.000 0.282 386 H C 1.301 176.730 175.328 0.168 0.000 1.020 386 H CA 0.907 56.987 56.048 0.054 0.000 1.243 386 H CB -0.012 29.727 29.762 -0.039 0.000 1.377 386 H HN 0.085 nan 8.280 nan 0.000 0.581 387 R N -0.705 119.548 120.500 -0.411 0.000 2.334 387 R HA 0.060 4.400 4.340 -0.000 0.000 0.212 387 R C -0.165 176.271 176.300 0.227 0.000 0.897 387 R CA -0.439 55.529 56.100 -0.219 0.000 1.056 387 R CB 0.276 30.258 30.300 -0.531 0.000 1.046 387 R HN 0.098 nan 8.270 nan 0.000 0.513 388 W N 1.969 123.297 121.300 0.046 0.000 2.264 388 W HA 0.092 4.751 4.660 -0.000 0.000 0.331 388 W C 1.584 178.178 176.519 0.124 0.000 1.364 388 W CA -0.890 56.507 57.345 0.087 0.000 1.253 388 W CB 0.011 29.544 29.460 0.122 0.000 1.215 388 W HN 0.067 nan 8.180 nan 0.000 0.561 389 R N 1.729 122.407 120.500 0.297 0.000 2.113 389 R HA -0.293 4.047 4.340 -0.000 0.000 0.244 389 R C 1.629 178.052 176.300 0.204 0.000 1.142 389 R CA 2.416 58.642 56.100 0.210 0.000 0.953 389 R CB -0.007 30.365 30.300 0.119 0.000 0.860 389 R HN 0.516 nan 8.270 nan 0.000 0.438 390 Q N -0.021 119.909 119.800 0.217 0.000 2.170 390 Q HA -0.069 4.271 4.340 -0.000 0.000 0.203 390 Q C 1.993 178.141 176.000 0.247 0.000 0.976 390 Q CA 1.574 57.493 55.803 0.193 0.000 0.858 390 Q CB -0.020 28.854 28.738 0.227 0.000 0.907 390 Q HN 0.471 nan 8.270 nan 0.000 0.433 391 I N -0.384 120.367 120.570 0.302 0.000 2.494 391 I HA -0.113 4.057 4.170 -0.000 0.000 0.250 391 I C 2.482 178.729 176.117 0.217 0.000 1.112 391 I CA 0.411 61.853 61.300 0.237 0.000 1.438 391 I CB -0.225 37.904 38.000 0.215 0.000 1.111 391 I HN 0.151 nan 8.210 nan 0.000 0.431 392 R N 1.619 122.293 120.500 0.291 0.000 2.091 392 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 392 R C 1.734 178.127 176.300 0.156 0.000 1.136 392 R CA 1.838 58.126 56.100 0.313 0.000 0.959 392 R CB -0.410 30.146 30.300 0.427 0.000 0.856 392 R HN 0.320 nan 8.270 nan 0.000 0.437 393 N N 0.111 118.908 118.700 0.162 0.000 2.309 393 N HA -0.092 4.648 4.740 -0.000 0.000 0.182 393 N C 1.552 177.152 175.510 0.149 0.000 1.018 393 N CA 1.001 54.138 53.050 0.146 0.000 0.876 393 N CB -0.086 38.489 38.487 0.147 0.000 0.972 393 N HN 0.224 nan 8.380 nan 0.000 0.434 394 M N -0.208 119.462 119.600 0.116 0.000 2.388 394 M HA 0.064 4.543 4.480 -0.000 0.000 0.265 394 M C 1.834 178.162 176.300 0.047 0.000 1.088 394 M CA 0.355 55.707 55.300 0.086 0.000 1.134 394 M CB -0.547 32.078 32.600 0.040 0.000 1.384 394 M HN -0.118 nan 8.290 nan 0.000 0.447 395 V N 0.594 120.483 119.914 -0.042 0.000 2.343 395 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 395 V C 2.309 178.288 176.094 -0.191 0.000 1.051 395 V CA 1.499 63.672 62.300 -0.211 0.000 1.036 395 V CB -0.453 31.046 31.823 -0.539 0.000 0.654 395 V HN 0.346 nan 8.190 nan 0.000 0.451 396 I N -0.990 119.504 120.570 -0.128 0.000 2.315 396 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 396 I C 2.298 178.321 176.117 -0.157 0.000 1.117 396 I CA 1.534 62.757 61.300 -0.130 0.000 1.404 396 I CB -0.419 37.544 38.000 -0.061 0.000 1.071 396 I HN 0.327 nan 8.210 nan 0.000 0.419 397 F N 2.001 121.808 119.950 -0.239 0.000 2.126 397 F HA -0.262 4.265 4.527 0.000 0.000 0.299 397 F C 2.689 178.365 175.800 -0.207 0.000 1.096 397 F CA 1.760 59.585 58.000 -0.291 0.000 1.255 397 F CB -0.365 38.599 39.000 -0.060 0.000 0.997 397 F HN -0.150 nan 8.300 nan 0.000 0.479 398 R N 0.205 120.825 120.500 0.200 0.000 2.096 398 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 398 R C 2.025 178.290 176.300 -0.059 0.000 1.127 398 R CA 1.667 57.828 56.100 0.101 0.000 0.968 398 R CB -0.332 29.984 30.300 0.027 0.000 0.861 398 R HN 0.301 nan 8.270 nan 0.000 0.440 399 N N -0.013 118.616 118.700 -0.119 0.000 2.084 399 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 399 N C 1.777 177.193 175.510 -0.157 0.000 1.030 399 N CA 1.325 54.297 53.050 -0.130 0.000 0.849 399 N CB -0.375 38.029 38.487 -0.139 0.000 1.012 399 N HN 0.037 nan 8.380 nan 0.000 0.423 400 V N 1.104 120.865 119.914 -0.255 0.000 2.407 400 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 400 V C 2.102 178.048 176.094 -0.247 0.000 1.055 400 V CA 1.565 63.692 62.300 -0.290 0.000 1.049 400 V CB -0.564 30.948 31.823 -0.517 0.000 0.662 400 V HN 0.312 nan 8.190 nan 0.000 0.455 401 V N -2.122 117.622 119.914 -0.284 0.000 3.596 401 V HA 0.257 4.377 4.120 -0.000 0.000 0.289 401 V C 0.615 176.666 176.094 -0.072 0.000 1.336 401 V CA -0.234 61.951 62.300 -0.192 0.000 1.137 401 V CB -0.402 31.266 31.823 -0.258 0.000 0.966 401 V HN 0.452 nan 8.190 nan 0.000 0.428 402 D N 1.653 122.014 120.400 -0.064 0.000 2.586 402 D HA 0.362 5.002 4.640 -0.000 0.000 0.234 402 D C 1.491 177.783 176.300 -0.012 0.000 1.132 402 D CA 2.179 56.163 54.000 -0.026 0.000 0.860 402 D CB 0.389 41.170 40.800 -0.031 0.000 1.159 402 D HN 0.619 nan 8.370 nan 0.000 0.490 403 G N 3.075 111.879 108.800 0.007 0.000 2.241 403 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 403 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 403 G C 0.201 175.116 174.900 0.024 0.000 0.998 403 G CA 0.023 45.130 45.100 0.012 0.000 0.621 403 G HN 0.589 nan 8.290 nan 0.000 0.519 404 Q N 1.846 121.662 119.800 0.027 0.000 2.352 404 Q HA 0.386 4.726 4.340 -0.000 0.000 0.260 404 Q C -1.900 174.148 176.000 0.079 0.000 0.976 404 Q CA -1.243 54.587 55.803 0.045 0.000 0.881 404 Q CB 1.281 30.040 28.738 0.035 0.000 1.235 404 Q HN 0.444 nan 8.270 nan 0.000 0.419 405 P HA 0.101 nan 4.420 nan 0.000 0.274 405 P C -0.699 176.713 177.300 0.187 0.000 1.246 405 P CA -0.399 62.776 63.100 0.124 0.000 0.795 405 P CB 0.515 32.277 31.700 0.105 0.000 1.006 406 F N 1.140 121.111 119.950 0.035 0.000 2.445 406 F HA 0.400 4.927 4.527 -0.000 0.000 0.359 406 F C 0.381 176.255 175.800 0.124 0.000 1.101 406 F CA 0.931 58.959 58.000 0.047 0.000 1.177 406 F CB 0.574 39.510 39.000 -0.106 0.000 1.110 406 F HN 0.301 nan 8.300 nan 0.000 0.522 407 T N 4.119 118.559 114.554 -0.190 0.000 2.731 407 T HA 0.231 4.581 4.350 -0.000 0.000 0.300 407 T C -0.728 173.970 174.700 -0.004 0.000 1.283 407 T CA -0.755 61.310 62.100 -0.057 0.000 1.005 407 T CB 0.939 69.848 68.868 0.068 0.000 1.420 407 T HN 0.620 nan 8.240 nan 0.000 0.503 408 N N 1.172 119.942 118.700 0.117 0.000 2.725 408 N HA -0.135 4.605 4.740 -0.000 0.000 0.251 408 N C -0.528 175.147 175.510 0.276 0.000 1.031 408 N CA 0.719 53.896 53.050 0.211 0.000 0.720 408 N CB -0.739 37.900 38.487 0.253 0.000 0.930 408 N HN 0.588 nan 8.380 nan 0.000 0.543 409 W N 1.027 122.358 121.300 0.052 0.000 2.170 409 W HA 0.345 5.005 4.660 -0.000 0.000 0.336 409 W C -0.460 176.198 176.519 0.232 0.000 1.283 409 W CA -0.126 57.283 57.345 0.105 0.000 1.224 409 W CB 0.319 29.822 29.460 0.072 0.000 1.132 409 W HN 0.220 nan 8.180 nan 0.000 0.571 410 Y N 4.865 124.721 120.300 -0.741 0.000 2.513 410 Y HA 0.392 4.942 4.550 -0.000 0.000 0.340 410 Y C -1.646 173.804 175.900 -0.751 0.000 1.055 410 Y CA -0.868 56.953 58.100 -0.464 0.000 1.020 410 Y CB 1.393 39.768 38.460 -0.141 0.000 1.301 410 Y HN 0.534 nan 8.280 nan 0.000 0.453 411 D N 1.880 121.399 120.400 -1.469 0.000 2.654 411 D HA 0.202 4.842 4.640 -0.000 0.000 0.231 411 D C -1.181 174.584 176.300 -0.892 0.000 1.239 411 D CA -0.801 52.628 54.000 -0.952 0.000 0.790 411 D CB 0.995 41.682 40.800 -0.189 0.000 1.480 411 D HN 0.447 nan 8.370 nan 0.000 0.442 412 N N 0.942 119.420 118.700 -0.371 0.000 2.251 412 N HA 0.200 4.940 4.740 -0.000 0.000 0.217 412 N C 1.334 176.862 175.510 0.030 0.000 1.124 412 N CA 0.232 53.258 53.050 -0.039 0.000 0.843 412 N CB 0.335 38.961 38.487 0.230 0.000 1.024 412 N HN 1.051 nan 8.380 nan 0.000 0.501 413 G N -1.364 107.425 108.800 -0.018 0.000 2.184 413 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.264 413 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.264 413 G C 0.377 175.275 174.900 -0.003 0.000 0.975 413 G CA 0.733 45.846 45.100 0.021 0.000 0.642 413 G HN 0.646 nan 8.290 nan 0.000 0.536 414 S N -0.844 114.851 115.700 -0.009 0.000 3.894 414 S HA 0.442 4.912 4.470 -0.000 0.000 0.189 414 S C 0.846 175.364 174.600 -0.136 0.000 1.096 414 S CA 0.723 58.901 58.200 -0.036 0.000 1.481 414 S CB 0.176 63.443 63.200 0.112 0.000 1.321 414 S HN 0.303 nan 8.310 nan 0.000 0.828 415 N N 0.650 119.247 118.700 -0.171 0.000 2.351 415 N HA 0.358 5.098 4.740 -0.000 0.000 0.254 415 N C -1.294 174.070 175.510 -0.243 0.000 1.241 415 N CA -0.064 52.846 53.050 -0.233 0.000 0.883 415 N CB 1.188 39.515 38.487 -0.267 0.000 1.202 415 N HN 0.257 nan 8.380 nan 0.000 0.512 416 Q N 1.506 121.191 119.800 -0.193 0.000 2.381 416 Q HA 0.472 4.812 4.340 -0.000 0.000 0.263 416 Q C -0.950 174.919 176.000 -0.219 0.000 1.030 416 Q CA -0.721 54.948 55.803 -0.224 0.000 0.772 416 Q CB 2.029 30.723 28.738 -0.074 0.000 1.232 416 Q HN 0.141 nan 8.270 nan 0.000 0.476 417 V N -1.089 118.659 119.914 -0.277 0.000 3.102 417 V HA 1.064 5.184 4.120 -0.000 0.000 0.312 417 V C -1.206 174.707 176.094 -0.303 0.000 1.135 417 V CA -0.844 61.221 62.300 -0.391 0.000 1.022 417 V CB 1.971 33.494 31.823 -0.499 0.000 1.056 417 V HN 0.698 nan 8.190 nan 0.000 0.436 418 A N 2.168 124.726 122.820 -0.437 0.000 2.612 418 A HA 1.040 5.360 4.320 -0.000 0.000 0.293 418 A C -1.200 176.167 177.584 -0.362 0.000 1.075 418 A CA -0.251 51.513 52.037 -0.455 0.000 0.680 418 A CB 1.799 20.511 19.000 -0.480 0.000 1.279 418 A HN 2.410 nan 8.150 nan 0.000 0.411 419 F N -1.274 118.295 119.950 -0.635 0.000 2.741 419 F HA 0.836 5.363 4.527 -0.000 0.000 0.311 419 F C -0.087 175.435 175.800 -0.463 0.000 1.149 419 F CA -0.314 57.446 58.000 -0.401 0.000 0.930 419 F CB 0.814 39.691 39.000 -0.206 0.000 1.312 419 F HN 1.127 nan 8.300 nan 0.000 0.450 420 G N 0.541 109.401 108.800 0.100 0.000 2.630 420 G HA2 0.684 4.644 3.960 -0.000 0.000 0.296 420 G HA3 0.684 4.644 3.960 -0.000 0.000 0.296 420 G C -1.644 173.397 174.900 0.236 0.000 1.285 420 G CA -1.318 43.916 45.100 0.224 0.000 0.958 420 G HN 0.585 nan 8.290 nan 0.000 0.479 421 R N 0.407 121.036 120.500 0.215 0.000 2.352 421 R HA 0.501 4.841 4.340 -0.000 0.000 0.304 421 R C 0.905 177.265 176.300 0.101 0.000 1.104 421 R CA 0.047 56.252 56.100 0.175 0.000 0.991 421 R CB 0.368 30.769 30.300 0.169 0.000 1.140 421 R HN 1.275 nan 8.270 nan 0.000 0.540 422 G N 3.599 112.458 108.800 0.098 0.000 2.614 422 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.303 422 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.303 422 G C 0.312 175.247 174.900 0.059 0.000 1.270 422 G CA 0.682 45.823 45.100 0.068 0.000 0.988 422 G HN 0.674 nan 8.290 nan 0.000 0.551 423 N N 0.641 119.364 118.700 0.038 0.000 2.328 423 N HA 0.195 4.935 4.740 -0.000 0.000 0.247 423 N C 1.327 176.852 175.510 0.025 0.000 1.165 423 N CA -0.005 53.063 53.050 0.030 0.000 0.873 423 N CB 0.491 38.996 38.487 0.029 0.000 1.125 423 N HN 0.544 nan 8.380 nan 0.000 0.513 424 R N -0.600 119.905 120.500 0.008 0.000 2.279 424 R HA 0.347 4.687 4.340 -0.000 0.000 0.195 424 R C 0.559 176.817 176.300 -0.070 0.000 0.905 424 R CA 0.511 56.596 56.100 -0.024 0.000 1.044 424 R CB 0.959 31.218 30.300 -0.068 0.000 1.056 424 R HN 0.294 nan 8.270 nan 0.000 0.535 425 G N 0.307 109.074 108.800 -0.056 0.000 2.677 425 G HA2 0.543 4.503 3.960 -0.000 0.000 0.291 425 G HA3 0.543 4.503 3.960 -0.000 0.000 0.291 425 G C -2.020 173.014 174.900 0.224 0.000 1.435 425 G CA -0.399 44.667 45.100 -0.055 0.000 0.826 425 G HN -0.006 nan 8.290 nan 0.000 0.491 426 F N 1.310 121.329 119.950 0.115 0.000 2.615 426 F HA 0.688 5.215 4.527 0.000 0.000 0.312 426 F C -1.090 174.642 175.800 -0.113 0.000 1.119 426 F CA -1.149 56.833 58.000 -0.031 0.000 0.979 426 F CB 1.954 40.896 39.000 -0.096 0.000 1.266 426 F HN 0.566 nan 8.300 nan 0.000 0.444 427 I N 4.140 124.139 120.570 -0.951 0.000 2.647 427 I HA 0.818 4.988 4.170 -0.000 0.000 0.295 427 I C -1.806 173.611 176.117 -1.167 0.000 1.078 427 I CA -1.097 59.646 61.300 -0.928 0.000 1.048 427 I CB 1.073 38.498 38.000 -0.958 0.000 1.239 427 I HN 0.311 nan 8.210 nan 0.000 0.421 428 V N 5.167 124.496 119.914 -0.975 0.000 2.656 428 V HA 0.588 4.708 4.120 -0.000 0.000 0.307 428 V C -0.876 174.762 176.094 -0.759 0.000 1.051 428 V CA -0.328 61.476 62.300 -0.826 0.000 0.893 428 V CB 1.945 33.294 31.823 -0.789 0.000 0.999 428 V HN 0.616 nan 8.190 nan 0.000 0.426 429 F N 2.380 122.080 119.950 -0.418 0.000 2.532 429 F HA 0.607 5.134 4.527 0.000 0.000 0.321 429 F C 0.120 175.677 175.800 -0.405 0.000 1.089 429 F CA -0.687 57.131 58.000 -0.303 0.000 0.926 429 F CB 2.003 40.836 39.000 -0.278 0.000 1.168 429 F HN 0.465 nan 8.300 nan 0.000 0.459 430 N N 1.672 120.315 118.700 -0.096 0.000 2.576 430 N HA 0.174 4.914 4.740 -0.000 0.000 0.269 430 N C -1.102 174.322 175.510 -0.144 0.000 1.058 430 N CA -0.244 52.693 53.050 -0.190 0.000 0.860 430 N CB 0.705 39.106 38.487 -0.142 0.000 1.249 430 N HN 0.760 nan 8.380 nan 0.000 0.525 431 N N 2.110 120.684 118.700 -0.209 0.000 2.234 431 N HA 0.088 4.828 4.740 -0.000 0.000 0.227 431 N C -0.919 174.417 175.510 -0.290 0.000 1.151 431 N CA -0.289 52.636 53.050 -0.208 0.000 0.865 431 N CB 0.454 38.810 38.487 -0.218 0.000 1.066 431 N HN 0.491 nan 8.380 nan 0.000 0.515 432 D N 0.258 120.391 120.400 -0.445 0.000 2.388 432 D HA 0.101 4.741 4.640 -0.000 0.000 0.254 432 D C -0.122 175.818 176.300 -0.600 0.000 1.111 432 D CA -0.043 53.501 54.000 -0.761 0.000 0.993 432 D CB 1.143 41.027 40.800 -1.527 0.000 1.118 432 D HN 0.054 nan 8.370 nan 0.000 0.502 433 D N 0.641 120.738 120.400 -0.505 0.000 2.413 433 D HA 0.139 4.779 4.640 -0.000 0.000 0.237 433 D C -0.222 176.204 176.300 0.211 0.000 1.171 433 D CA -0.011 53.964 54.000 -0.042 0.000 0.839 433 D CB -0.193 40.690 40.800 0.138 0.000 0.950 433 D HN 0.300 nan 8.370 nan 0.000 0.499 434 W N -1.530 119.807 121.300 0.062 0.000 3.075 434 W HA 0.536 5.196 4.660 -0.000 0.000 0.334 434 W C -0.345 176.234 176.519 0.101 0.000 1.243 434 W CA -1.030 56.357 57.345 0.071 0.000 1.170 434 W CB 0.033 29.533 29.460 0.066 0.000 1.452 434 W HN -0.424 nan 8.180 nan 0.000 0.572 435 S N 1.187 117.091 115.700 0.339 0.000 2.589 435 S HA 0.372 4.842 4.470 -0.000 0.000 0.265 435 S C -1.169 173.633 174.600 0.337 0.000 1.342 435 S CA -0.147 58.205 58.200 0.254 0.000 1.005 435 S CB 0.274 63.593 63.200 0.198 0.000 0.909 435 S HN 0.434 nan 8.310 nan 0.000 0.555 436 F N 1.495 121.511 119.950 0.110 0.000 2.507 436 F HA 0.546 5.073 4.527 -0.000 0.000 0.328 436 F C -0.272 175.579 175.800 0.084 0.000 1.136 436 F CA -0.249 57.811 58.000 0.100 0.000 0.930 436 F CB 1.414 40.438 39.000 0.039 0.000 1.166 436 F HN 0.429 nan 8.300 nan 0.000 0.436 437 S N 7.736 123.085 115.700 -0.585 0.000 2.737 437 S HA 0.749 5.219 4.470 -0.000 0.000 0.269 437 S C -2.098 172.105 174.600 -0.661 0.000 1.150 437 S CA -0.439 57.497 58.200 -0.440 0.000 1.077 437 S CB 0.700 63.876 63.200 -0.040 0.000 1.075 437 S HN 0.820 nan 8.310 nan 0.000 0.476 438 L N 3.603 124.253 121.223 -0.954 0.000 2.653 438 L HA 0.633 4.973 4.340 -0.000 0.000 0.257 438 L C -0.765 175.786 176.870 -0.531 0.000 0.969 438 L CA 0.013 54.450 54.840 -0.671 0.000 0.869 438 L CB 2.187 43.818 42.059 -0.714 0.000 1.439 438 L HN 0.528 nan 8.230 nan 0.000 0.414 439 T N 4.375 118.781 114.554 -0.246 0.000 2.743 439 T HA 0.672 5.021 4.350 -0.000 0.000 0.293 439 T C -0.360 174.311 174.700 -0.048 0.000 0.945 439 T CA -0.088 61.965 62.100 -0.079 0.000 1.030 439 T CB 0.190 69.076 68.868 0.029 0.000 0.912 439 T HN 0.389 nan 8.240 nan 0.000 0.483 440 L N 2.536 123.787 121.223 0.048 0.000 2.323 440 L HA 0.562 4.902 4.340 -0.000 0.000 0.265 440 L C -0.036 176.807 176.870 -0.046 0.000 1.012 440 L CA -1.348 53.496 54.840 0.006 0.000 0.820 440 L CB 1.906 44.002 42.059 0.062 0.000 1.334 440 L HN 0.391 nan 8.230 nan 0.000 0.427 441 Q N 0.484 120.243 119.800 -0.069 0.000 2.295 441 Q HA 0.167 4.507 4.340 -0.000 0.000 0.259 441 Q C 0.467 176.259 176.000 -0.347 0.000 0.976 441 Q CA 0.134 55.862 55.803 -0.124 0.000 0.923 441 Q CB 1.348 30.070 28.738 -0.027 0.000 1.185 441 Q HN 0.700 nan 8.270 nan 0.000 0.410 442 T N 0.274 114.512 114.554 -0.527 0.000 3.014 442 T HA 0.272 4.621 4.350 -0.000 0.000 0.250 442 T C 1.262 175.732 174.700 -0.382 0.000 1.060 442 T CA 0.441 61.951 62.100 -0.984 0.000 1.040 442 T CB -0.079 68.211 68.868 -0.964 0.000 0.971 442 T HN 1.029 nan 8.240 nan 0.000 0.497 443 G N 1.430 110.117 108.800 -0.190 0.000 2.168 443 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.263 443 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.263 443 G C -0.057 174.808 174.900 -0.058 0.000 0.977 443 G CA 0.522 45.581 45.100 -0.068 0.000 0.659 443 G HN 0.649 nan 8.290 nan 0.000 0.533 444 L N 0.436 121.590 121.223 -0.115 0.000 2.360 444 L HA 0.504 4.844 4.340 -0.000 0.000 0.271 444 L C -1.837 175.038 176.870 0.009 0.000 1.057 444 L CA -2.368 52.426 54.840 -0.075 0.000 0.803 444 L CB 1.231 43.138 42.059 -0.253 0.000 1.207 444 L HN -0.141 nan 8.230 nan 0.000 0.445 445 P HA 0.103 nan 4.420 nan 0.000 0.271 445 P C -0.623 176.785 177.300 0.181 0.000 1.216 445 P CA -0.292 62.880 63.100 0.120 0.000 0.776 445 P CB 0.730 32.500 31.700 0.117 0.000 0.881 446 A N 2.613 125.497 122.820 0.108 0.000 2.583 446 A HA 0.455 4.775 4.320 -0.000 0.000 0.231 446 A C 0.882 178.540 177.584 0.124 0.000 1.065 446 A CA 1.302 53.406 52.037 0.111 0.000 0.760 446 A CB -0.971 18.062 19.000 0.055 0.000 1.001 446 A HN 0.806 nan 8.150 nan 0.000 0.509 447 G N -0.744 108.134 108.800 0.129 0.000 2.369 447 G HA2 0.439 4.399 3.960 -0.000 0.000 0.295 447 G HA3 0.439 4.399 3.960 -0.000 0.000 0.295 447 G C -0.717 174.208 174.900 0.043 0.000 1.298 447 G CA -0.200 44.903 45.100 0.005 0.000 0.940 447 G HN 1.114 nan 8.290 nan 0.000 0.536 448 T N 1.054 115.542 114.554 -0.109 0.000 2.758 448 T HA 0.644 4.994 4.350 -0.000 0.000 0.285 448 T C -1.132 173.408 174.700 -0.266 0.000 0.981 448 T CA 0.081 62.124 62.100 -0.095 0.000 0.965 448 T CB 0.699 69.551 68.868 -0.026 0.000 0.927 448 T HN 0.399 nan 8.240 nan 0.000 0.448 449 Y N 0.600 120.777 120.300 -0.204 0.000 2.446 449 Y HA 0.454 5.004 4.550 -0.000 0.000 0.338 449 Y C 0.474 176.258 175.900 -0.193 0.000 1.055 449 Y CA -1.183 56.816 58.100 -0.169 0.000 1.101 449 Y CB 1.022 39.405 38.460 -0.128 0.000 1.221 449 Y HN 0.567 nan 8.280 nan 0.000 0.460 450 c N 2.113 120.702 118.600 -0.017 0.000 2.452 450 c HA 0.215 4.785 4.570 -0.000 0.000 0.379 450 c C 0.245 174.309 174.090 -0.042 0.000 1.275 450 c CA -0.714 55.580 56.329 -0.058 0.000 2.056 450 c CB -0.213 42.256 42.510 -0.068 0.000 2.506 450 c HN 0.787 nan 8.230 nan 0.000 0.560 451 D N 1.415 121.785 120.400 -0.050 0.000 2.343 451 D HA 0.202 4.842 4.640 -0.000 0.000 0.255 451 D C 0.884 177.149 176.300 -0.058 0.000 1.187 451 D CA -0.349 53.622 54.000 -0.047 0.000 0.875 451 D CB 1.032 41.797 40.800 -0.058 0.000 1.136 451 D HN 0.422 nan 8.370 nan 0.000 0.469 452 V N 2.399 122.286 119.914 -0.044 0.000 3.646 452 V HA 0.082 4.202 4.120 -0.000 0.000 0.277 452 V C 1.288 177.351 176.094 -0.051 0.000 1.274 452 V CA 0.144 62.437 62.300 -0.012 0.000 1.164 452 V CB -0.647 31.227 31.823 0.084 0.000 0.926 452 V HN 0.522 nan 8.190 nan 0.000 0.442 453 I N 1.909 122.383 120.570 -0.159 0.000 2.556 453 I HA 0.020 4.190 4.170 -0.000 0.000 0.251 453 I C 2.652 178.657 176.117 -0.187 0.000 1.105 453 I CA 1.837 62.973 61.300 -0.273 0.000 1.436 453 I CB -0.853 36.747 38.000 -0.667 0.000 1.139 453 I HN 0.571 nan 8.210 nan 0.000 0.438 454 S N -0.147 115.457 115.700 -0.161 0.000 2.496 454 S HA 0.300 4.770 4.470 -0.000 0.000 0.224 454 S C 1.023 175.588 174.600 -0.058 0.000 0.996 454 S CA 0.425 58.563 58.200 -0.103 0.000 0.927 454 S CB 0.079 63.224 63.200 -0.091 0.000 0.774 454 S HN 0.432 nan 8.310 nan 0.000 0.524 455 G N -0.313 108.458 108.800 -0.049 0.000 2.664 455 G HA2 0.525 4.485 3.960 -0.000 0.000 0.303 455 G HA3 0.525 4.485 3.960 -0.000 0.000 0.303 455 G C -2.275 172.620 174.900 -0.008 0.000 1.243 455 G CA -0.632 44.454 45.100 -0.023 0.000 0.826 455 G HN 0.214 nan 8.290 nan 0.000 0.498 456 D N -0.483 119.916 120.400 -0.003 0.000 2.559 456 D HA 0.348 4.988 4.640 -0.000 0.000 0.250 456 D C -1.006 175.290 176.300 -0.007 0.000 1.135 456 D CA -0.577 53.428 54.000 0.008 0.000 0.955 456 D CB 2.897 43.713 40.800 0.026 0.000 1.442 456 D HN 0.387 nan 8.370 nan 0.000 0.471 457 K N 1.482 121.879 120.400 -0.006 0.000 2.234 457 K HA 0.463 4.783 4.320 -0.000 0.000 0.277 457 K C -0.938 175.658 176.600 -0.007 0.000 1.038 457 K CA -0.322 55.953 56.287 -0.019 0.000 0.888 457 K CB 0.463 32.945 32.500 -0.030 0.000 1.091 457 K HN 0.364 nan 8.250 nan 0.000 0.467 458 I N 6.190 126.754 120.570 -0.010 0.000 2.563 458 I HA 0.061 4.231 4.170 -0.000 0.000 0.276 458 I C -0.631 175.481 176.117 -0.008 0.000 1.074 458 I CA -0.907 60.392 61.300 -0.003 0.000 1.124 458 I CB 0.962 38.964 38.000 0.002 0.000 1.225 458 I HN 0.880 nan 8.210 nan 0.000 0.482 459 N N 4.659 123.353 118.700 -0.010 0.000 2.580 459 N HA -0.243 4.497 4.740 -0.000 0.000 0.301 459 N C 0.637 176.137 175.510 -0.017 0.000 1.276 459 N CA 1.112 54.154 53.050 -0.013 0.000 0.711 459 N CB -0.976 37.506 38.487 -0.007 0.000 0.978 459 N HN 1.049 nan 8.380 nan 0.000 0.538 460 G N 0.420 109.204 108.800 -0.026 0.000 2.212 460 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.266 460 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.266 460 G C -0.085 174.799 174.900 -0.028 0.000 0.978 460 G CA 0.716 45.800 45.100 -0.028 0.000 0.632 460 G HN 0.924 nan 8.290 nan 0.000 0.537 461 N N -1.247 117.437 118.700 -0.026 0.000 2.732 461 N HA 0.601 5.341 4.740 -0.000 0.000 0.259 461 N C -0.911 174.581 175.510 -0.029 0.000 1.402 461 N CA 0.195 53.230 53.050 -0.025 0.000 0.829 461 N CB 1.632 40.110 38.487 -0.014 0.000 1.495 461 N HN 0.187 nan 8.380 nan 0.000 0.511 462 c N 0.159 118.741 118.600 -0.031 0.000 2.456 462 c HA 0.476 5.046 4.570 -0.000 0.000 0.325 462 c C 1.869 175.945 174.090 -0.023 0.000 1.217 462 c CA -0.562 55.746 56.329 -0.035 0.000 1.687 462 c CB 0.872 43.350 42.510 -0.053 0.000 2.270 462 c HN 0.878 nan 8.230 nan 0.000 0.499 463 T N -0.966 113.577 114.554 -0.019 0.000 3.081 463 T HA 0.310 4.660 4.350 -0.000 0.000 0.250 463 T C 0.795 175.485 174.700 -0.017 0.000 1.100 463 T CA 0.722 62.814 62.100 -0.013 0.000 1.038 463 T CB 0.126 68.991 68.868 -0.006 0.000 0.962 463 T HN 0.884 nan 8.240 nan 0.000 0.516 464 G N 0.788 109.572 108.800 -0.027 0.000 3.252 464 G HA2 0.660 4.620 3.960 -0.000 0.000 0.181 464 G HA3 0.660 4.620 3.960 -0.000 0.000 0.181 464 G C -0.648 174.229 174.900 -0.039 0.000 1.187 464 G CA -1.298 43.783 45.100 -0.032 0.000 0.886 464 G HN 0.406 nan 8.290 nan 0.000 0.615 465 I N 0.718 121.261 120.570 -0.045 0.000 2.813 465 I HA 0.145 4.315 4.170 -0.000 0.000 0.287 465 I C 0.028 176.092 176.117 -0.088 0.000 1.196 465 I CA 0.613 61.883 61.300 -0.050 0.000 1.421 465 I CB 0.703 38.680 38.000 -0.038 0.000 1.365 465 I HN 0.189 nan 8.210 nan 0.000 0.591 466 K N 6.098 126.415 120.400 -0.139 0.000 2.324 466 K HA 0.617 4.937 4.320 -0.000 0.000 0.253 466 K C -1.167 175.160 176.600 -0.454 0.000 0.932 466 K CA -0.692 55.428 56.287 -0.279 0.000 0.799 466 K CB 2.218 34.529 32.500 -0.315 0.000 1.154 466 K HN 0.307 nan 8.250 nan 0.000 0.425 467 I N 3.067 123.359 120.570 -0.464 0.000 2.474 467 I HA 0.287 4.457 4.170 -0.000 0.000 0.294 467 I C -0.845 174.952 176.117 -0.533 0.000 1.005 467 I CA -0.889 60.126 61.300 -0.475 0.000 1.113 467 I CB 1.121 38.937 38.000 -0.308 0.000 1.289 467 I HN 0.541 nan 8.210 nan 0.000 0.436 468 Y N 4.597 124.841 120.300 -0.093 0.000 2.342 468 Y HA 0.467 5.017 4.550 -0.000 0.000 0.338 468 Y C 0.224 176.088 175.900 -0.060 0.000 0.965 468 Y CA -0.895 57.182 58.100 -0.039 0.000 1.159 468 Y CB 1.553 39.980 38.460 -0.056 0.000 1.157 468 Y HN 0.168 nan 8.280 nan 0.000 0.486 469 V N 3.845 123.841 119.914 0.136 0.000 2.394 469 V HA 0.393 4.513 4.120 -0.000 0.000 0.282 469 V C 0.207 176.344 176.094 0.072 0.000 1.031 469 V CA -0.829 61.505 62.300 0.058 0.000 0.881 469 V CB 1.313 33.177 31.823 0.068 0.000 0.982 469 V HN 0.905 nan 8.190 nan 0.000 0.451 470 S N 2.402 118.118 115.700 0.026 0.000 2.661 470 S HA 0.213 4.683 4.470 -0.000 0.000 0.265 470 S C 0.757 175.366 174.600 0.016 0.000 1.225 470 S CA -0.458 57.754 58.200 0.019 0.000 0.986 470 S CB 0.828 64.029 63.200 0.002 0.000 1.008 470 S HN 0.647 nan 8.310 nan 0.000 0.565 471 D N 1.149 121.555 120.400 0.011 0.000 2.182 471 D HA -0.091 4.549 4.640 -0.000 0.000 0.201 471 D C 1.136 177.440 176.300 0.005 0.000 0.986 471 D CA 1.778 55.783 54.000 0.010 0.000 0.847 471 D CB -0.578 40.225 40.800 0.005 0.000 0.942 471 D HN 0.868 nan 8.370 nan 0.000 0.467 472 D N -1.631 118.768 120.400 -0.001 0.000 2.328 472 D HA 0.199 4.839 4.640 -0.000 0.000 0.226 472 D C 1.468 177.759 176.300 -0.016 0.000 1.066 472 D CA 0.636 54.633 54.000 -0.004 0.000 0.861 472 D CB -0.016 40.782 40.800 -0.003 0.000 0.912 472 D HN 0.167 nan 8.370 nan 0.000 0.521 473 G N -0.134 108.653 108.800 -0.023 0.000 2.176 473 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.253 473 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.253 473 G C 0.226 175.070 174.900 -0.094 0.000 0.979 473 G CA 0.139 45.205 45.100 -0.056 0.000 0.641 473 G HN 0.451 nan 8.290 nan 0.000 0.530 474 K N 0.514 120.877 120.400 -0.062 0.000 2.154 474 K HA 0.715 5.035 4.320 -0.000 0.000 0.264 474 K C 0.212 176.771 176.600 -0.068 0.000 1.008 474 K CA 0.316 56.564 56.287 -0.064 0.000 0.937 474 K CB 1.534 34.017 32.500 -0.029 0.000 1.002 474 K HN 0.836 nan 8.250 nan 0.000 0.469 475 A N 1.462 124.238 122.820 -0.073 0.000 2.594 475 A HA 0.281 4.601 4.320 -0.000 0.000 0.295 475 A C -1.747 175.717 177.584 -0.200 0.000 1.071 475 A CA -0.727 51.205 52.037 -0.174 0.000 0.685 475 A CB 1.202 19.990 19.000 -0.353 0.000 1.285 475 A HN 0.790 nan 8.150 nan 0.000 0.405 476 H N 1.075 119.945 119.070 -0.334 0.000 2.489 476 H HA 0.667 5.223 4.556 -0.000 0.000 0.322 476 H C -1.759 173.322 175.328 -0.410 0.000 1.091 476 H CA -0.025 55.888 56.048 -0.226 0.000 1.291 476 H CB 0.592 30.282 29.762 -0.120 0.000 1.436 476 H HN 0.431 nan 8.280 nan 0.000 0.480 477 F N 1.571 121.327 119.950 -0.323 0.000 2.529 477 F HA 0.287 4.814 4.527 0.000 0.000 0.320 477 F C 0.036 175.785 175.800 -0.084 0.000 1.118 477 F CA -0.622 57.351 58.000 -0.046 0.000 0.915 477 F CB 2.125 41.204 39.000 0.131 0.000 1.161 477 F HN 0.306 nan 8.300 nan 0.000 0.445 478 S N 4.236 120.091 115.700 0.258 0.000 2.707 478 S HA 0.694 5.164 4.470 -0.000 0.000 0.312 478 S C -0.779 173.962 174.600 0.236 0.000 1.116 478 S CA -0.484 57.845 58.200 0.216 0.000 1.078 478 S CB 0.739 64.060 63.200 0.202 0.000 0.997 478 S HN 0.421 nan 8.310 nan 0.000 0.477 479 I N 2.227 122.972 120.570 0.291 0.000 2.439 479 I HA 0.367 4.537 4.170 -0.000 0.000 0.285 479 I C 0.157 176.378 176.117 0.174 0.000 1.021 479 I CA -0.498 60.925 61.300 0.206 0.000 1.091 479 I CB 1.978 40.083 38.000 0.175 0.000 1.242 479 I HN 0.510 nan 8.210 nan 0.000 0.439 480 S N 4.493 120.264 115.700 0.118 0.000 2.565 480 S HA 0.129 4.599 4.470 -0.000 0.000 0.274 480 S C 1.326 175.972 174.600 0.076 0.000 1.309 480 S CA -0.694 57.567 58.200 0.102 0.000 1.043 480 S CB 0.630 63.879 63.200 0.082 0.000 0.939 480 S HN 0.755 nan 8.310 nan 0.000 0.504 481 N N 3.110 121.851 118.700 0.069 0.000 2.609 481 N HA -0.052 4.688 4.740 -0.000 0.000 0.190 481 N C 0.594 176.126 175.510 0.038 0.000 1.157 481 N CA 0.440 53.509 53.050 0.032 0.000 0.918 481 N CB -0.181 38.318 38.487 0.018 0.000 0.978 481 N HN 0.376 nan 8.380 nan 0.000 0.448 482 S N -0.391 115.338 115.700 0.049 0.000 2.540 482 S HA 0.346 4.816 4.470 -0.000 0.000 0.218 482 S C 0.796 175.419 174.600 0.039 0.000 0.977 482 S CA -0.426 57.799 58.200 0.043 0.000 0.918 482 S CB 0.247 63.474 63.200 0.045 0.000 0.806 482 S HN 0.615 nan 8.310 nan 0.000 0.496 483 A N 1.714 124.559 122.820 0.042 0.000 2.483 483 A HA 0.156 4.476 4.320 -0.000 0.000 0.238 483 A C 1.340 178.944 177.584 0.033 0.000 1.070 483 A CA -0.148 51.910 52.037 0.034 0.000 0.770 483 A CB 0.128 19.149 19.000 0.036 0.000 1.008 483 A HN 0.468 nan 8.150 nan 0.000 0.497 484 E N 0.736 120.948 120.200 0.019 0.000 2.058 484 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 484 E C -0.508 176.118 176.600 0.044 0.000 0.997 484 E CA 1.424 57.836 56.400 0.019 0.000 0.801 484 E CB 0.075 29.773 29.700 -0.003 0.000 0.746 484 E HN 0.710 nan 8.360 nan 0.000 0.450 485 D N 0.874 121.291 120.400 0.029 0.000 2.462 485 D HA 0.137 4.777 4.640 -0.000 0.000 0.245 485 D C -2.210 174.138 176.300 0.080 0.000 1.122 485 D CA -1.511 52.533 54.000 0.073 0.000 0.864 485 D CB 1.717 42.463 40.800 -0.090 0.000 1.098 485 D HN 0.181 nan 8.370 nan 0.000 0.541 486 P HA 0.083 nan 4.420 nan 0.000 0.254 486 P C -0.779 176.654 177.300 0.222 0.000 1.631 486 P CA -0.136 63.056 63.100 0.152 0.000 0.861 486 P CB -0.763 30.998 31.700 0.102 0.000 1.663 487 F N -1.559 118.314 119.950 -0.128 0.000 2.654 487 F HA 0.648 5.175 4.527 0.000 0.000 0.308 487 F C -1.624 174.007 175.800 -0.282 0.000 1.108 487 F CA -2.136 55.678 58.000 -0.309 0.000 0.957 487 F CB 0.746 39.447 39.000 -0.498 0.000 1.309 487 F HN -0.319 nan 8.300 nan 0.000 0.446 488 I N 2.329 122.698 120.570 -0.335 0.000 2.608 488 I HA 0.823 4.993 4.170 -0.000 0.000 0.295 488 I C -0.783 175.159 176.117 -0.292 0.000 1.049 488 I CA -1.179 59.953 61.300 -0.279 0.000 1.063 488 I CB 2.110 40.094 38.000 -0.026 0.000 1.248 488 I HN 1.024 nan 8.210 nan 0.000 0.424 489 A N 7.343 130.045 122.820 -0.197 0.000 2.427 489 A HA 0.892 5.212 4.320 -0.000 0.000 0.298 489 A C -0.958 176.678 177.584 0.088 0.000 1.036 489 A CA -0.466 51.515 52.037 -0.093 0.000 0.701 489 A CB 1.378 20.261 19.000 -0.195 0.000 1.250 489 A HN 0.714 nan 8.150 nan 0.000 0.412 490 I N 0.042 120.728 120.570 0.194 0.000 2.769 490 I HA 0.935 5.105 4.170 -0.000 0.000 0.298 490 I C -0.718 175.490 176.117 0.151 0.000 1.128 490 I CA -0.922 60.438 61.300 0.100 0.000 1.031 490 I CB 2.413 40.425 38.000 0.020 0.000 1.235 490 I HN 0.946 nan 8.210 nan 0.000 0.423 491 H N 2.860 122.005 119.070 0.125 0.000 2.966 491 H HA 0.753 5.309 4.556 -0.000 0.000 0.330 491 H C 0.519 175.929 175.328 0.137 0.000 1.292 491 H CA -0.364 55.678 56.048 -0.011 0.000 1.127 491 H CB 1.132 30.729 29.762 -0.276 0.000 1.863 491 H HN 0.672 nan 8.280 nan 0.000 0.543 492 A N 0.224 123.213 122.820 0.281 0.000 1.940 492 A HA -0.241 4.079 4.320 -0.000 0.000 0.221 492 A C 1.637 179.339 177.584 0.198 0.000 1.190 492 A CA 2.125 54.306 52.037 0.240 0.000 0.647 492 A CB -0.758 18.314 19.000 0.120 0.000 0.821 492 A HN 0.742 nan 8.150 nan 0.000 0.457 493 E N -0.065 120.345 120.200 0.350 0.000 2.502 493 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 493 E C 1.620 178.251 176.600 0.051 0.000 1.062 493 E CA 0.896 57.422 56.400 0.210 0.000 0.867 493 E CB -0.136 29.721 29.700 0.261 0.000 0.888 493 E HN 0.758 nan 8.360 nan 0.000 0.510 494 S N -0.341 115.257 115.700 -0.171 0.000 2.572 494 S HA 0.145 4.615 4.470 -0.000 0.000 0.228 494 S C 0.710 175.222 174.600 -0.147 0.000 0.963 494 S CA -0.450 57.624 58.200 -0.210 0.000 0.939 494 S CB 0.235 63.193 63.200 -0.403 0.000 0.804 494 S HN -0.053 nan 8.310 nan 0.000 0.480 495 K N 1.631 121.907 120.400 -0.205 0.000 2.270 495 K HA 0.381 4.701 4.320 -0.000 0.000 0.276 495 K C -0.172 176.249 176.600 -0.298 0.000 1.023 495 K CA -0.537 55.448 56.287 -0.504 0.000 0.955 495 K CB 0.500 32.573 32.500 -0.711 0.000 0.975 495 K HN 0.312 nan 8.250 nan 0.000 0.471 496 L N 0.000 121.049 121.223 -0.290 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.739 54.840 -0.168 0.000 0.813 496 L CB 0.000 41.983 42.059 -0.127 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502