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 2amg_1_A DATA FIRST_RESID 1 DATA SEQUENCE DQAGKSPNAV RYHGGDEIIL QGFHWNVVRE APNDWYNILR QQAATIAADG DATA SEQUENCE FSAIWMPVPW RDFSSWSXXX KSGGGEGYFW HDFNKNGRYG SDAQLRQAAS DATA SEQUENCE ALGGAGVKVL YDVVPNHMNR GYPDKEINLP AGQGFWRNDc ADPGNYPNDc DATA SEQUENCE DDGDRFIGGD ADLNTGHPQV YGMFRDEFTN LRSQYGAGGF RFDFVRGYAP DATA SEQUENCE ERVNSWMTDS ADNSFcVGEL WKGPSEYPNW DWRNTASWQQ IIKDWSDRAK DATA SEQUENCE cPVFDFALKE RMQNGSIADW KHGLNGNPDP RWREVAVTFV DNHDTGYSPG DATA SEQUENCE QNGGQHHWAL QDGLIRQAYA YILTSPGTPV VYWDHMYDWG YGDFIRQLIQ DATA SEQUENCE VRRAAGVRAD SAISFHSGYS GLVATVSGSQ QTLVVALNSD LGNPGQVASG DATA SEQUENCE SFSEAVNASN GQVRVWRS 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.327 176.300 0.046 0.000 2.045 1 D CA 0.000 54.029 54.000 0.048 0.000 0.868 1 D CB 0.000 40.849 40.800 0.081 0.000 0.688 2 Q N 1.612 121.418 119.800 0.011 0.000 2.327 2 Q HA 0.649 4.989 4.340 -0.000 0.000 0.254 2 Q C -0.297 175.624 176.000 -0.131 0.000 0.952 2 Q CA -0.210 55.570 55.803 -0.039 0.000 0.884 2 Q CB 1.196 29.908 28.738 -0.043 0.000 1.224 2 Q HN 0.462 nan 8.270 nan 0.000 0.422 3 A N 3.243 125.928 122.820 -0.224 0.000 2.956 3 A HA 0.499 4.818 4.320 -0.000 0.000 0.294 3 A C 0.073 177.463 177.584 -0.324 0.000 0.993 3 A CA 0.003 51.678 52.037 -0.603 0.000 1.032 3 A CB 0.268 18.913 19.000 -0.591 0.000 1.129 3 A HN 0.763 nan 8.150 nan 0.000 0.505 4 G N -0.300 108.447 108.800 -0.088 0.000 2.671 4 G HA2 0.523 4.482 3.960 -0.000 0.000 0.275 4 G HA3 0.523 4.482 3.960 -0.000 0.000 0.275 4 G C -0.251 174.759 174.900 0.182 0.000 1.368 4 G CA -0.684 44.439 45.100 0.039 0.000 1.044 4 G HN 0.332 nan 8.290 nan 0.000 0.543 5 K N -0.096 120.374 120.400 0.117 0.000 2.098 5 K HA 0.439 4.759 4.320 -0.000 0.000 0.258 5 K C 0.686 177.210 176.600 -0.128 0.000 0.973 5 K CA -0.327 55.970 56.287 0.017 0.000 0.898 5 K CB 1.546 34.028 32.500 -0.030 0.000 1.057 5 K HN 0.608 nan 8.250 nan 0.000 0.447 6 S N 1.188 116.551 115.700 -0.560 0.000 2.596 6 S HA 0.113 4.583 4.470 -0.000 0.000 0.260 6 S C -1.814 172.643 174.600 -0.238 0.000 1.336 6 S CA -0.949 56.846 58.200 -0.676 0.000 0.993 6 S CB 0.529 63.172 63.200 -0.928 0.000 0.923 6 S HN 0.336 nan 8.310 nan 0.000 0.567 7 P HA -0.005 nan 4.420 nan 0.000 0.223 7 P C 0.230 177.486 177.300 -0.073 0.000 1.144 7 P CA 1.212 64.276 63.100 -0.060 0.000 0.783 7 P CB -0.278 31.414 31.700 -0.014 0.000 0.771 8 N N -1.195 117.436 118.700 -0.116 0.000 2.214 8 N HA 0.331 5.071 4.740 -0.000 0.000 0.214 8 N C 0.199 175.633 175.510 -0.125 0.000 1.132 8 N CA 0.338 53.325 53.050 -0.106 0.000 0.856 8 N CB 0.187 38.610 38.487 -0.107 0.000 1.020 8 N HN -0.124 nan 8.380 nan 0.000 0.509 9 A N -0.118 122.621 122.820 -0.136 0.000 2.905 9 A HA -0.161 4.159 4.320 -0.000 0.000 0.260 9 A C 0.139 177.633 177.584 -0.150 0.000 1.398 9 A CA 0.315 52.280 52.037 -0.120 0.000 0.840 9 A CB -2.246 16.704 19.000 -0.083 0.000 1.059 9 A HN 0.120 nan 8.150 nan 0.000 0.647 10 V N 0.915 120.695 119.914 -0.224 0.000 2.498 10 V HA 0.239 4.359 4.120 -0.000 0.000 0.279 10 V C 1.337 177.310 176.094 -0.201 0.000 1.048 10 V CA -0.171 61.997 62.300 -0.220 0.000 0.967 10 V CB 1.201 32.884 31.823 -0.233 0.000 0.988 10 V HN 0.474 nan 8.190 nan 0.000 0.473 11 R N 4.833 125.273 120.500 -0.099 0.000 3.688 11 R HA 0.077 4.417 4.340 -0.000 0.000 0.194 11 R C 0.104 176.445 176.300 0.067 0.000 1.677 11 R CA -0.133 55.970 56.100 0.005 0.000 1.351 11 R CB -0.270 30.032 30.300 0.003 0.000 1.338 11 R HN 0.892 nan 8.270 nan 0.000 0.731 12 Y N -0.928 119.399 120.300 0.046 0.000 2.468 12 Y HA 0.100 4.650 4.550 -0.000 0.000 0.268 12 Y C 0.394 176.566 175.900 0.453 0.000 1.177 12 Y CA -1.347 56.875 58.100 0.204 0.000 1.265 12 Y CB -0.876 37.682 38.460 0.163 0.000 1.103 12 Y HN 0.442 nan 8.280 nan 0.000 0.522 13 H N 1.442 120.843 119.070 0.551 0.000 2.591 13 H HA -0.171 4.384 4.556 -0.000 0.000 0.325 13 H C 1.473 176.852 175.328 0.085 0.000 1.096 13 H CA 1.047 57.284 56.048 0.315 0.000 1.108 13 H CB -1.037 28.921 29.762 0.327 0.000 1.590 13 H HN 0.881 nan 8.280 nan 0.000 0.399 14 G N 0.220 108.978 108.800 -0.070 0.000 2.212 14 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.266 14 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.266 14 G C 1.476 176.013 174.900 -0.605 0.000 0.978 14 G CA 1.105 46.061 45.100 -0.240 0.000 0.632 14 G HN 1.830 nan 8.290 nan 0.000 0.537 15 G N 0.156 108.363 108.800 -0.988 0.000 2.179 15 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.257 15 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.257 15 G C 0.433 175.153 174.900 -0.299 0.000 1.010 15 G CA 1.246 45.838 45.100 -0.847 0.000 0.736 15 G HN 1.890 nan 8.290 nan 0.000 0.513 16 D N -0.676 119.614 120.400 -0.183 0.000 2.501 16 D HA 0.230 4.870 4.640 -0.000 0.000 0.224 16 D C 0.380 176.641 176.300 -0.064 0.000 1.202 16 D CA -0.337 53.607 54.000 -0.093 0.000 0.829 16 D CB 0.301 41.060 40.800 -0.069 0.000 1.023 16 D HN 0.295 nan 8.370 nan 0.000 0.499 17 E N 0.645 120.796 120.200 -0.082 0.000 2.373 17 E HA 0.411 4.761 4.350 -0.000 0.000 0.263 17 E C 0.211 176.771 176.600 -0.066 0.000 1.073 17 E CA -0.320 56.005 56.400 -0.125 0.000 0.894 17 E CB 1.806 31.304 29.700 -0.337 0.000 1.008 17 E HN 0.286 nan 8.360 nan 0.000 0.420 18 I N 2.971 123.526 120.570 -0.024 0.000 2.503 18 I HA 0.220 4.390 4.170 -0.000 0.000 0.282 18 I C -0.777 175.465 176.117 0.208 0.000 1.059 18 I CA -0.699 60.651 61.300 0.083 0.000 1.081 18 I CB 0.922 38.944 38.000 0.038 0.000 1.210 18 I HN 0.182 nan 8.210 nan 0.000 0.450 19 I N 6.325 127.019 120.570 0.208 0.000 2.428 19 I HA 0.345 4.515 4.170 -0.000 0.000 0.296 19 I C -0.316 175.917 176.117 0.194 0.000 0.985 19 I CA -0.534 60.880 61.300 0.190 0.000 1.260 19 I CB 1.416 39.506 38.000 0.150 0.000 1.389 19 I HN 0.364 nan 8.210 nan 0.000 0.484 20 L N 5.594 126.770 121.223 -0.079 0.000 2.307 20 L HA 0.451 4.791 4.340 -0.000 0.000 0.284 20 L C -0.083 176.794 176.870 0.011 0.000 1.023 20 L CA -0.204 54.413 54.840 -0.371 0.000 0.810 20 L CB 1.259 42.744 42.059 -0.957 0.000 1.231 20 L HN 0.715 nan 8.230 nan 0.000 0.423 21 Q N 3.488 123.323 119.800 0.058 0.000 2.344 21 Q HA 0.319 4.658 4.340 -0.000 0.000 0.253 21 Q C 0.666 176.616 176.000 -0.082 0.000 1.050 21 Q CA 0.124 55.849 55.803 -0.131 0.000 0.912 21 Q CB 0.961 29.477 28.738 -0.371 0.000 1.258 21 Q HN 0.965 nan 8.270 nan 0.000 0.443 22 G N 4.867 113.675 108.800 0.014 0.000 3.340 22 G HA2 0.253 4.213 3.960 -0.000 0.000 0.240 22 G HA3 0.253 4.213 3.960 -0.000 0.000 0.240 22 G C -0.565 174.445 174.900 0.183 0.000 1.327 22 G CA 0.084 45.312 45.100 0.213 0.000 1.170 22 G HN 0.657 nan 8.290 nan 0.000 0.520 23 F N -2.433 117.343 119.950 -0.291 0.000 2.944 23 F HA 0.591 5.118 4.527 -0.000 0.000 0.324 23 F C -1.033 174.513 175.800 -0.423 0.000 1.151 23 F CA -2.062 55.547 58.000 -0.651 0.000 0.883 23 F CB 0.507 39.098 39.000 -0.681 0.000 1.341 23 F HN 0.180 nan 8.300 nan 0.000 0.456 24 H N -1.541 117.321 119.070 -0.348 0.000 2.907 24 H HA 0.301 4.857 4.556 -0.000 0.000 0.361 24 H C 0.101 175.557 175.328 0.214 0.000 1.194 24 H CA -1.075 54.922 56.048 -0.086 0.000 1.152 24 H CB 1.187 30.869 29.762 -0.133 0.000 1.867 24 H HN 0.927 nan 8.280 nan 0.000 0.561 25 W N 1.698 123.240 121.300 0.403 0.000 2.350 25 W HA -0.143 4.517 4.660 -0.000 0.000 0.289 25 W C -0.363 176.298 176.519 0.237 0.000 1.215 25 W CA 1.874 59.434 57.345 0.359 0.000 1.236 25 W CB 0.055 29.720 29.460 0.341 0.000 1.130 25 W HN 0.755 nan 8.180 nan 0.000 0.541 26 N N -0.222 118.660 118.700 0.303 0.000 2.276 26 N HA -0.030 4.710 4.740 -0.000 0.000 0.212 26 N C 1.342 176.763 175.510 -0.148 0.000 1.127 26 N CA -0.326 52.759 53.050 0.058 0.000 0.834 26 N CB 0.458 39.094 38.487 0.248 0.000 1.014 26 N HN -0.184 nan 8.380 nan 0.000 0.491 27 V N 0.824 120.408 119.914 -0.551 0.000 2.324 27 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 27 V C 2.350 178.129 176.094 -0.527 0.000 1.060 27 V CA 1.923 63.733 62.300 -0.817 0.000 1.042 27 V CB -0.474 30.507 31.823 -1.404 0.000 0.650 27 V HN 0.403 nan 8.190 nan 0.000 0.450 28 V N -1.583 117.988 119.914 -0.572 0.000 2.720 28 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 28 V C 2.212 178.122 176.094 -0.307 0.000 1.082 28 V CA 1.992 63.970 62.300 -0.536 0.000 1.101 28 V CB -0.826 30.607 31.823 -0.651 0.000 0.693 28 V HN 0.457 nan 8.190 nan 0.000 0.479 29 R N -0.627 119.735 120.500 -0.231 0.000 2.167 29 R HA 0.166 4.506 4.340 -0.000 0.000 0.201 29 R C 2.385 178.644 176.300 -0.068 0.000 1.024 29 R CA 0.738 56.761 56.100 -0.128 0.000 1.053 29 R CB -0.020 30.224 30.300 -0.093 0.000 0.987 29 R HN 0.491 nan 8.270 nan 0.000 0.493 30 E N 0.412 120.582 120.200 -0.050 0.000 2.086 30 E HA 0.039 4.389 4.350 -0.000 0.000 0.190 30 E C 0.280 176.893 176.600 0.020 0.000 0.975 30 E CA 0.761 57.173 56.400 0.020 0.000 0.813 30 E CB 0.384 30.148 29.700 0.106 0.000 0.768 30 E HN 0.152 nan 8.360 nan 0.000 0.457 31 A N 2.641 125.453 122.820 -0.012 0.000 3.258 31 A HA 0.315 4.635 4.320 -0.000 0.000 0.318 31 A C -2.509 175.068 177.584 -0.013 0.000 0.990 31 A CA -1.380 50.693 52.037 0.061 0.000 0.885 31 A CB 0.155 19.307 19.000 0.254 0.000 1.090 31 A HN -0.124 nan 8.150 nan 0.000 0.479 32 P HA -0.004 nan 4.420 nan 0.000 0.262 32 P C 0.039 177.293 177.300 -0.075 0.000 1.199 32 P CA 0.665 63.700 63.100 -0.108 0.000 0.763 32 P CB 0.275 31.920 31.700 -0.090 0.000 0.790 33 N N 1.205 119.839 118.700 -0.109 0.000 2.815 33 N HA -0.224 4.516 4.740 -0.000 0.000 0.247 33 N C 0.315 175.813 175.510 -0.020 0.000 1.030 33 N CA 1.436 54.450 53.050 -0.061 0.000 0.881 33 N CB -1.527 36.941 38.487 -0.031 0.000 1.134 33 N HN 0.512 nan 8.380 nan 0.000 0.582 34 D N -1.209 119.193 120.400 0.004 0.000 2.469 34 D HA 0.120 4.760 4.640 -0.000 0.000 0.213 34 D C 1.313 177.640 176.300 0.045 0.000 1.135 34 D CA -0.297 53.721 54.000 0.030 0.000 0.834 34 D CB 0.028 40.849 40.800 0.034 0.000 1.009 34 D HN 0.345 nan 8.370 nan 0.000 0.507 35 W N 0.332 121.524 121.300 -0.179 0.000 2.335 35 W HA -0.289 4.371 4.660 -0.000 0.000 0.311 35 W C 0.747 177.193 176.519 -0.121 0.000 1.213 35 W CA 1.094 58.318 57.345 -0.202 0.000 1.274 35 W CB -0.129 29.203 29.460 -0.214 0.000 1.148 35 W HN 0.082 nan 8.180 nan 0.000 0.498 36 Y N 0.810 121.105 120.300 -0.007 0.000 2.274 36 Y HA -0.218 4.332 4.550 -0.000 0.000 0.290 36 Y C 2.345 178.148 175.900 -0.161 0.000 1.145 36 Y CA 1.264 59.302 58.100 -0.104 0.000 1.203 36 Y CB -1.506 36.954 38.460 -0.000 0.000 0.984 36 Y HN -0.000 nan 8.280 nan 0.000 0.533 37 N N 0.276 118.981 118.700 0.009 0.000 2.142 37 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 37 N C 1.960 177.385 175.510 -0.142 0.000 1.023 37 N CA 1.387 54.411 53.050 -0.043 0.000 0.852 37 N CB -0.540 37.935 38.487 -0.019 0.000 0.998 37 N HN 0.335 nan 8.380 nan 0.000 0.424 38 I N 1.055 121.466 120.570 -0.266 0.000 2.226 38 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 38 I C 2.099 177.959 176.117 -0.429 0.000 1.100 38 I CA 0.797 61.862 61.300 -0.391 0.000 1.374 38 I CB -0.187 37.442 38.000 -0.619 0.000 1.057 38 I HN 0.053 nan 8.210 nan 0.000 0.413 39 L N 0.187 121.093 121.223 -0.529 0.000 2.046 39 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 39 L C 2.762 179.522 176.870 -0.184 0.000 1.077 39 L CA 1.301 55.922 54.840 -0.366 0.000 0.747 39 L CB -0.616 41.243 42.059 -0.332 0.000 0.896 39 L HN 0.252 nan 8.230 nan 0.000 0.432 40 R N 0.410 120.826 120.500 -0.140 0.000 2.091 40 R HA -0.215 4.124 4.340 -0.000 0.000 0.238 40 R C 2.186 178.437 176.300 -0.082 0.000 1.136 40 R CA 1.651 57.700 56.100 -0.085 0.000 0.959 40 R CB -0.099 30.169 30.300 -0.055 0.000 0.856 40 R HN 0.408 nan 8.270 nan 0.000 0.437 41 Q N -0.704 119.036 119.800 -0.100 0.000 2.297 41 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 41 Q C 1.648 177.594 176.000 -0.090 0.000 0.962 41 Q CA 0.846 56.598 55.803 -0.085 0.000 0.879 41 Q CB 0.350 29.038 28.738 -0.083 0.000 0.947 41 Q HN 0.251 nan 8.270 nan 0.000 0.462 42 Q N -0.678 119.052 119.800 -0.116 0.000 2.408 42 Q HA 0.189 4.529 4.340 -0.000 0.000 0.205 42 Q C 1.745 177.699 176.000 -0.076 0.000 0.919 42 Q CA 0.658 56.388 55.803 -0.121 0.000 0.932 42 Q CB 0.011 28.651 28.738 -0.163 0.000 1.058 42 Q HN 0.352 nan 8.270 nan 0.000 0.517 43 A N 1.119 123.904 122.820 -0.058 0.000 1.915 43 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 43 A C 2.219 179.801 177.584 -0.003 0.000 1.198 43 A CA 2.307 54.328 52.037 -0.027 0.000 0.647 43 A CB -0.821 18.159 19.000 -0.034 0.000 0.825 43 A HN 0.370 nan 8.150 nan 0.000 0.456 44 A N -1.691 121.121 122.820 -0.013 0.000 1.933 44 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 44 A C 2.318 179.911 177.584 0.015 0.000 1.175 44 A CA 2.319 54.355 52.037 -0.001 0.000 0.628 44 A CB -1.186 17.808 19.000 -0.011 0.000 0.814 44 A HN 0.463 nan 8.150 nan 0.000 0.444 45 T N 0.355 114.913 114.554 0.007 0.000 2.701 45 T HA -0.087 4.262 4.350 -0.000 0.000 0.263 45 T C 1.820 176.589 174.700 0.114 0.000 1.040 45 T CA 1.484 63.604 62.100 0.034 0.000 1.147 45 T CB -0.428 68.428 68.868 -0.020 0.000 0.865 45 T HN 0.417 nan 8.240 nan 0.000 0.426 46 I N 1.435 122.080 120.570 0.125 0.000 2.145 46 I HA -0.281 3.889 4.170 -0.000 0.000 0.244 46 I C 2.908 179.198 176.117 0.288 0.000 1.075 46 I CA 1.436 62.911 61.300 0.291 0.000 1.332 46 I CB -0.553 37.550 38.000 0.173 0.000 1.033 46 I HN 0.216 nan 8.210 nan 0.000 0.410 47 A N 0.640 123.546 122.820 0.143 0.000 1.877 47 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 47 A C 2.536 180.150 177.584 0.051 0.000 1.186 47 A CA 1.902 53.994 52.037 0.090 0.000 0.620 47 A CB -0.857 18.169 19.000 0.044 0.000 0.822 47 A HN 0.456 nan 8.150 nan 0.000 0.443 48 A N -0.259 122.586 122.820 0.042 0.000 1.969 48 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 48 A C 1.650 179.222 177.584 -0.019 0.000 1.169 48 A CA 1.781 53.823 52.037 0.008 0.000 0.635 48 A CB -0.523 18.485 19.000 0.013 0.000 0.810 48 A HN 0.436 nan 8.150 nan 0.000 0.445 49 D N -1.233 119.174 120.400 0.011 0.000 2.264 49 D HA 0.131 4.771 4.640 -0.000 0.000 0.208 49 D C 1.470 177.564 176.300 -0.344 0.000 0.966 49 D CA 1.501 55.444 54.000 -0.094 0.000 0.864 49 D CB -0.052 40.807 40.800 0.099 0.000 0.933 49 D HN 0.646 nan 8.370 nan 0.000 0.499 50 G N -0.729 107.906 108.800 -0.274 0.000 2.168 50 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.197 50 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.197 50 G C 0.031 174.721 174.900 -0.350 0.000 0.997 50 G CA -0.554 44.353 45.100 -0.322 0.000 0.658 50 G HN 0.153 nan 8.290 nan 0.000 0.513 51 F N 1.791 121.737 119.950 -0.007 0.000 2.429 51 F HA 0.489 5.016 4.527 -0.000 0.000 0.348 51 F C 1.738 177.523 175.800 -0.024 0.000 1.109 51 F CA 0.306 58.304 58.000 -0.005 0.000 1.232 51 F CB 1.680 40.700 39.000 0.032 0.000 1.157 51 F HN 0.142 nan 8.300 nan 0.000 0.564 52 S N 0.823 116.607 115.700 0.140 0.000 2.502 52 S HA 0.652 5.122 4.470 -0.000 0.000 0.215 52 S C 0.333 174.921 174.600 -0.019 0.000 1.009 52 S CA 0.297 58.512 58.200 0.024 0.000 0.908 52 S CB 0.081 63.264 63.200 -0.029 0.000 0.801 52 S HN 0.759 nan 8.310 nan 0.000 0.505 53 A N 0.468 123.293 122.820 0.008 0.000 2.606 53 A HA 0.792 5.112 4.320 -0.000 0.000 0.293 53 A C -1.569 176.016 177.584 0.001 0.000 1.082 53 A CA -0.746 51.254 52.037 -0.061 0.000 0.685 53 A CB 1.205 20.086 19.000 -0.199 0.000 1.284 53 A HN 0.554 nan 8.150 nan 0.000 0.408 54 I N 0.501 121.062 120.570 -0.015 0.000 2.533 54 I HA 0.589 4.759 4.170 -0.000 0.000 0.290 54 I C -1.650 174.530 176.117 0.105 0.000 1.056 54 I CA -0.623 60.697 61.300 0.034 0.000 1.057 54 I CB 1.430 39.431 38.000 0.002 0.000 1.240 54 I HN 0.846 nan 8.210 nan 0.000 0.423 55 W N 9.870 131.175 121.300 0.009 0.000 2.357 55 W HA 0.430 5.090 4.660 -0.000 0.000 0.317 55 W C -1.323 175.277 176.519 0.135 0.000 1.101 55 W CA -1.410 55.979 57.345 0.073 0.000 1.380 55 W CB 0.602 30.175 29.460 0.189 0.000 1.266 55 W HN 0.296 nan 8.180 nan 0.000 0.419 56 M N 8.458 128.195 119.600 0.229 0.000 2.255 56 M HA 0.263 4.743 4.480 -0.000 0.000 0.336 56 M C -1.655 174.595 176.300 -0.084 0.000 1.135 56 M CA -2.229 53.071 55.300 0.000 0.000 1.145 56 M CB 0.073 32.502 32.600 -0.284 0.000 1.473 56 M HN 0.227 nan 8.290 nan 0.000 0.462 57 P HA 0.109 nan 4.420 nan 0.000 0.273 57 P C -0.497 176.390 177.300 -0.688 0.000 1.250 57 P CA -0.493 61.819 63.100 -1.313 0.000 0.793 57 P CB 0.185 30.657 31.700 -2.047 0.000 1.011 58 V N 3.307 122.809 119.914 -0.686 0.000 2.509 58 V HA -0.017 4.103 4.120 -0.000 0.000 0.297 58 V C -0.845 174.966 176.094 -0.471 0.000 1.014 58 V CA -0.158 61.790 62.300 -0.587 0.000 1.127 58 V CB -0.123 31.331 31.823 -0.615 0.000 0.925 58 V HN 0.647 nan 8.190 nan 0.000 0.480 59 P HA -0.026 nan 4.420 nan 0.000 0.227 59 P C 0.089 177.289 177.300 -0.167 0.000 1.161 59 P CA 0.350 63.260 63.100 -0.318 0.000 0.788 59 P CB 0.261 31.641 31.700 -0.533 0.000 0.822 60 W N 3.744 124.884 121.300 -0.267 0.000 2.303 60 W HA 0.172 4.832 4.660 -0.000 0.000 0.318 60 W C 1.332 177.734 176.519 -0.195 0.000 1.362 60 W CA -0.931 56.265 57.345 -0.248 0.000 1.234 60 W CB -0.488 28.743 29.460 -0.382 0.000 1.248 60 W HN -0.003 nan 8.180 nan 0.000 0.546 61 R N 3.295 123.745 120.500 -0.083 0.000 2.570 61 R HA 0.010 4.350 4.340 -0.000 0.000 0.277 61 R C -0.766 175.208 176.300 -0.544 0.000 1.039 61 R CA 0.338 56.222 56.100 -0.361 0.000 1.065 61 R CB 0.677 30.679 30.300 -0.496 0.000 0.964 61 R HN 0.418 nan 8.270 nan 0.000 0.428 62 D N 4.169 124.319 120.400 -0.417 0.000 2.542 62 D HA 0.220 4.860 4.640 -0.000 0.000 0.252 62 D C -1.105 175.159 176.300 -0.060 0.000 1.222 62 D CA -0.680 53.211 54.000 -0.182 0.000 0.895 62 D CB 0.526 41.358 40.800 0.053 0.000 1.207 62 D HN 0.452 nan 8.370 nan 0.000 0.558 63 F N 1.466 121.417 119.950 0.002 0.000 2.855 63 F HA 0.191 4.718 4.527 -0.000 0.000 0.317 63 F C 1.249 177.065 175.800 0.026 0.000 1.169 63 F CA -0.836 57.139 58.000 -0.041 0.000 1.299 63 F CB -0.464 38.492 39.000 -0.073 0.000 0.962 63 F HN 0.108 nan 8.300 nan 0.000 0.506 64 S N -0.827 115.030 115.700 0.260 0.000 2.608 64 S HA 0.665 5.135 4.470 -0.000 0.000 0.261 64 S C 0.234 175.007 174.600 0.288 0.000 1.314 64 S CA -0.359 58.051 58.200 0.351 0.000 0.992 64 S CB 1.812 65.321 63.200 0.516 0.000 0.935 64 S HN 0.090 nan 8.310 nan 0.000 0.564 65 S N 1.347 117.226 115.700 0.298 0.000 2.535 65 S HA 0.683 5.153 4.470 -0.000 0.000 0.272 65 S C -1.817 172.944 174.600 0.269 0.000 1.149 65 S CA -0.805 57.499 58.200 0.173 0.000 0.888 65 S CB 1.105 64.364 63.200 0.099 0.000 1.110 65 S HN 0.933 nan 8.310 nan 0.000 0.463 66 W N 1.209 122.565 121.300 0.093 0.000 3.571 66 W HA 0.742 5.402 4.660 -0.000 0.000 0.294 66 W C -1.381 175.180 176.519 0.069 0.000 1.257 66 W CA -0.555 56.832 57.345 0.070 0.000 1.206 66 W CB 0.717 30.209 29.460 0.054 0.000 1.325 66 W HN 0.614 nan 8.180 nan 0.000 0.546 72 S N 1.344 116.871 115.700 -0.289 0.000 2.757 72 S HA 0.963 5.433 4.470 -0.000 0.000 0.285 72 S C -0.327 173.659 174.600 -1.023 0.000 1.196 72 S CA -0.215 57.507 58.200 -0.797 0.000 0.856 72 S CB 1.885 64.800 63.200 -0.475 0.000 1.212 72 S HN 0.958 nan 8.310 nan 0.000 0.516 73 G N -1.702 106.305 108.800 -1.322 0.000 2.428 73 G HA2 0.782 4.742 3.960 -0.000 0.000 0.304 73 G HA3 0.782 4.742 3.960 -0.000 0.000 0.304 73 G C -0.184 174.445 174.900 -0.453 0.000 1.303 73 G CA 0.226 44.945 45.100 -0.634 0.000 0.825 73 G HN 2.398 nan 8.290 nan 0.000 0.484 74 G N -2.591 106.217 108.800 0.014 0.000 2.465 74 G HA2 0.569 4.529 3.960 -0.000 0.000 0.681 74 G HA3 0.569 4.529 3.960 -0.000 0.000 0.681 74 G C 1.014 175.921 174.900 0.012 0.000 1.340 74 G CA 1.145 46.330 45.100 0.142 0.000 0.884 74 G HN 2.751 nan 8.290 nan 0.000 0.650 75 G N -0.198 108.652 108.800 0.084 0.000 2.159 75 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.256 75 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.256 75 G C 0.818 175.641 174.900 -0.128 0.000 0.977 75 G CA 1.252 46.356 45.100 0.007 0.000 0.652 75 G HN 1.342 nan 8.290 nan 0.000 0.531 76 E N -0.546 119.580 120.200 -0.124 0.000 2.347 76 E HA 0.379 4.729 4.350 -0.000 0.000 0.196 76 E C 2.155 178.735 176.600 -0.033 0.000 1.008 76 E CA 1.555 57.844 56.400 -0.185 0.000 0.852 76 E CB -0.087 29.343 29.700 -0.450 0.000 0.783 76 E HN 1.529 nan 8.360 nan 0.000 0.505 77 G N -0.642 108.151 108.800 -0.012 0.000 2.255 77 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.196 77 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.196 77 G C 0.595 175.425 174.900 -0.118 0.000 0.998 77 G CA -0.049 44.972 45.100 -0.132 0.000 0.656 77 G HN 0.256 nan 8.290 nan 0.000 0.490 78 Y N -0.655 119.890 120.300 0.409 0.000 2.529 78 Y HA 0.549 5.098 4.550 -0.000 0.000 0.290 78 Y C 1.157 177.427 175.900 0.616 0.000 1.177 78 Y CA 0.223 58.620 58.100 0.495 0.000 1.305 78 Y CB 0.221 38.976 38.460 0.492 0.000 1.047 78 Y HN 0.211 nan 8.280 nan 0.000 0.522 79 F N 1.068 121.236 119.950 0.363 0.000 2.576 79 F HA 0.234 4.761 4.527 -0.000 0.000 0.365 79 F C -0.121 175.745 175.800 0.109 0.000 1.506 79 F CA -2.023 56.109 58.000 0.220 0.000 1.113 79 F CB -0.062 39.092 39.000 0.256 0.000 1.293 79 F HN 0.015 nan 8.300 nan 0.000 0.540 80 W N 0.973 122.320 121.300 0.079 0.000 2.137 80 W HA 0.190 4.850 4.660 -0.000 0.000 0.344 80 W C 0.185 176.589 176.519 -0.192 0.000 1.286 80 W CA 0.144 57.434 57.345 -0.092 0.000 1.240 80 W CB -0.232 29.266 29.460 0.062 0.000 1.141 80 W HN 0.602 nan 8.180 nan 0.000 0.579 81 H N -2.280 116.718 119.070 -0.120 0.000 3.058 81 H HA 0.362 4.917 4.556 -0.000 0.000 0.258 81 H C -0.600 174.662 175.328 -0.109 0.000 1.015 81 H CA -0.134 55.760 56.048 -0.256 0.000 1.210 81 H CB 0.430 30.042 29.762 -0.250 0.000 1.481 81 H HN 0.182 nan 8.280 nan 0.000 0.492 82 D N -0.713 119.575 120.400 -0.186 0.000 2.596 82 D HA 0.161 4.801 4.640 -0.000 0.000 0.262 82 D C -0.440 175.687 176.300 -0.289 0.000 1.210 82 D CA -0.755 53.089 54.000 -0.261 0.000 0.873 82 D CB 1.353 41.972 40.800 -0.302 0.000 1.408 82 D HN 0.010 nan 8.370 nan 0.000 0.441 83 F N 0.141 119.835 119.950 -0.428 0.000 2.797 83 F HA 0.111 4.638 4.527 -0.000 0.000 0.302 83 F C 1.311 176.956 175.800 -0.259 0.000 1.130 83 F CA -0.416 57.212 58.000 -0.621 0.000 1.387 83 F CB -0.602 37.948 39.000 -0.750 0.000 1.107 83 F HN 0.091 nan 8.300 nan 0.000 0.577 84 N N 1.594 120.268 118.700 -0.042 0.000 2.468 84 N HA -0.065 4.675 4.740 -0.000 0.000 0.265 84 N C 0.863 176.370 175.510 -0.006 0.000 1.199 84 N CA 0.247 53.286 53.050 -0.017 0.000 0.928 84 N CB 0.925 39.399 38.487 -0.021 0.000 1.059 84 N HN -0.079 nan 8.380 nan 0.000 0.467 85 K N 1.580 121.987 120.400 0.012 0.000 2.487 85 K HA 0.130 4.450 4.320 -0.000 0.000 0.192 85 K C -0.165 176.502 176.600 0.111 0.000 1.027 85 K CA 0.275 56.578 56.287 0.026 0.000 1.054 85 K CB -0.039 32.435 32.500 -0.044 0.000 0.824 85 K HN 0.479 nan 8.250 nan 0.000 0.510 86 N N 1.587 120.356 118.700 0.115 0.000 2.968 86 N HA 0.093 4.833 4.740 -0.000 0.000 0.271 86 N C 0.176 175.820 175.510 0.223 0.000 1.174 86 N CA 0.161 53.315 53.050 0.174 0.000 1.096 86 N CB 0.940 39.529 38.487 0.169 0.000 1.403 86 N HN 0.160 nan 8.380 nan 0.000 0.522 87 G N 0.283 109.201 108.800 0.197 0.000 2.990 87 G HA2 0.190 4.150 3.960 -0.000 0.000 0.208 87 G HA3 0.190 4.150 3.960 -0.000 0.000 0.208 87 G C 0.896 175.911 174.900 0.192 0.000 1.334 87 G CA -0.361 44.866 45.100 0.213 0.000 1.024 87 G HN 0.255 nan 8.290 nan 0.000 0.574 88 R N -0.961 119.570 120.500 0.051 0.000 2.307 88 R HA 0.047 4.387 4.340 -0.000 0.000 0.199 88 R C 1.425 177.487 176.300 -0.398 0.000 1.000 88 R CA 0.476 56.471 56.100 -0.174 0.000 1.023 88 R CB -0.175 29.954 30.300 -0.286 0.000 0.908 88 R HN 0.552 nan 8.270 nan 0.000 0.473 89 Y N -0.082 120.065 120.300 -0.255 0.000 2.510 89 Y HA 0.243 4.793 4.550 -0.000 0.000 0.273 89 Y C 1.492 177.036 175.900 -0.592 0.000 1.119 89 Y CA 0.654 58.440 58.100 -0.524 0.000 1.286 89 Y CB 0.666 38.605 38.460 -0.868 0.000 1.061 89 Y HN 0.172 nan 8.280 nan 0.000 0.542 90 G N -0.723 107.997 108.800 -0.134 0.000 2.369 90 G HA2 0.190 4.150 3.960 -0.000 0.000 0.307 90 G HA3 0.190 4.150 3.960 -0.000 0.000 0.307 90 G C -0.888 174.168 174.900 0.260 0.000 1.327 90 G CA -0.650 44.493 45.100 0.072 0.000 0.963 90 G HN 0.206 nan 8.290 nan 0.000 0.590 91 S N -0.734 115.117 115.700 0.251 0.000 2.624 91 S HA 0.425 4.895 4.470 -0.000 0.000 0.263 91 S C 1.112 175.853 174.600 0.236 0.000 1.287 91 S CA 0.757 59.086 58.200 0.215 0.000 0.990 91 S CB 1.741 65.026 63.200 0.142 0.000 0.950 91 S HN 0.830 nan 8.310 nan 0.000 0.561 92 D N 0.940 121.445 120.400 0.175 0.000 2.123 92 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 92 D C 2.038 178.423 176.300 0.142 0.000 0.992 92 D CA 1.660 55.763 54.000 0.171 0.000 0.833 92 D CB -0.489 40.411 40.800 0.165 0.000 0.954 92 D HN 0.692 nan 8.370 nan 0.000 0.455 93 A N 0.590 123.473 122.820 0.106 0.000 1.902 93 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 93 A C 2.254 179.872 177.584 0.057 0.000 1.181 93 A CA 1.636 53.710 52.037 0.063 0.000 0.623 93 A CB -0.702 18.329 19.000 0.052 0.000 0.818 93 A HN 0.344 nan 8.150 nan 0.000 0.443 94 Q N -1.208 118.652 119.800 0.099 0.000 2.167 94 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 94 Q C 2.033 178.049 176.000 0.028 0.000 0.970 94 Q CA 1.303 57.174 55.803 0.113 0.000 0.855 94 Q CB -0.274 28.593 28.738 0.215 0.000 0.911 94 Q HN 0.602 nan 8.270 nan 0.000 0.438 95 L N 0.816 121.991 121.223 -0.079 0.000 2.027 95 L HA -0.155 4.184 4.340 -0.000 0.000 0.206 95 L C 1.986 178.767 176.870 -0.148 0.000 1.074 95 L CA 1.755 56.333 54.840 -0.437 0.000 0.745 95 L CB -0.242 41.531 42.059 -0.476 0.000 0.898 95 L HN -0.012 nan 8.230 nan 0.000 0.433 96 R N -0.896 119.592 120.500 -0.020 0.000 2.081 96 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 96 R C 2.263 178.532 176.300 -0.051 0.000 1.131 96 R CA 1.851 57.927 56.100 -0.039 0.000 0.960 96 R CB -0.394 29.850 30.300 -0.093 0.000 0.856 96 R HN 0.527 nan 8.270 nan 0.000 0.436 97 Q N 0.068 119.844 119.800 -0.041 0.000 2.046 97 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 97 Q C 2.242 178.214 176.000 -0.045 0.000 0.975 97 Q CA 1.671 57.453 55.803 -0.035 0.000 0.836 97 Q CB -0.169 28.559 28.738 -0.017 0.000 0.896 97 Q HN 0.374 nan 8.270 nan 0.000 0.428 98 A N 1.130 123.913 122.820 -0.061 0.000 1.865 98 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 98 A C 2.325 179.862 177.584 -0.079 0.000 1.191 98 A CA 1.812 53.804 52.037 -0.075 0.000 0.623 98 A CB -1.143 17.802 19.000 -0.092 0.000 0.826 98 A HN 0.412 nan 8.150 nan 0.000 0.444 99 A N -1.114 121.658 122.820 -0.080 0.000 1.908 99 A HA -0.132 4.187 4.320 -0.000 0.000 0.218 99 A C 2.489 180.048 177.584 -0.042 0.000 1.181 99 A CA 2.282 54.289 52.037 -0.049 0.000 0.627 99 A CB -0.973 18.045 19.000 0.030 0.000 0.818 99 A HN 0.509 nan 8.150 nan 0.000 0.445 100 S N -0.857 114.818 115.700 -0.041 0.000 2.368 100 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 100 S C 2.207 176.786 174.600 -0.036 0.000 1.029 100 S CA 1.403 59.580 58.200 -0.038 0.000 0.988 100 S CB -0.418 62.757 63.200 -0.041 0.000 0.838 100 S HN 0.786 nan 8.310 nan 0.000 0.462 101 A N 1.149 123.946 122.820 -0.039 0.000 1.873 101 A HA 0.048 4.367 4.320 -0.000 0.000 0.215 101 A C 2.142 179.706 177.584 -0.035 0.000 1.186 101 A CA 1.277 53.292 52.037 -0.036 0.000 0.616 101 A CB -0.746 18.230 19.000 -0.040 0.000 0.823 101 A HN 0.532 nan 8.150 nan 0.000 0.442 102 L N -0.678 120.519 121.223 -0.042 0.000 2.027 102 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 102 L C 2.878 179.727 176.870 -0.035 0.000 1.074 102 L CA 1.199 56.016 54.840 -0.039 0.000 0.745 102 L CB -0.857 41.168 42.059 -0.057 0.000 0.898 102 L HN 0.470 nan 8.230 nan 0.000 0.433 103 G N -0.433 108.342 108.800 -0.041 0.000 2.442 103 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 103 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 103 G C 1.587 176.472 174.900 -0.025 0.000 1.141 103 G CA 0.766 45.844 45.100 -0.036 0.000 0.763 103 G HN 0.504 nan 8.290 nan 0.000 0.554 104 G N 0.710 109.495 108.800 -0.024 0.000 2.422 104 G HA2 0.129 4.089 3.960 -0.000 0.000 0.218 104 G HA3 0.129 4.089 3.960 -0.000 0.000 0.218 104 G C 1.755 176.647 174.900 -0.014 0.000 1.140 104 G CA 1.238 46.327 45.100 -0.018 0.000 0.775 104 G HN 0.661 nan 8.290 nan 0.000 0.545 105 A N -0.478 122.334 122.820 -0.013 0.000 2.251 105 A HA 0.486 4.806 4.320 -0.000 0.000 0.209 105 A C 1.892 179.475 177.584 -0.001 0.000 1.187 105 A CA 1.220 53.254 52.037 -0.005 0.000 0.823 105 A CB -0.338 18.662 19.000 -0.000 0.000 0.846 105 A HN 1.549 nan 8.150 nan 0.000 0.486 106 G N -1.547 107.249 108.800 -0.007 0.000 2.131 106 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.223 106 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.223 106 G C -0.002 174.893 174.900 -0.009 0.000 0.990 106 G CA 0.043 45.139 45.100 -0.007 0.000 0.671 106 G HN 0.844 nan 8.290 nan 0.000 0.521 107 V N 1.415 121.323 119.914 -0.011 0.000 2.370 107 V HA 0.383 4.503 4.120 -0.000 0.000 0.279 107 V C 0.843 176.904 176.094 -0.056 0.000 1.029 107 V CA -0.880 61.413 62.300 -0.012 0.000 0.870 107 V CB 1.380 33.215 31.823 0.019 0.000 0.984 107 V HN 0.336 nan 8.190 nan 0.000 0.451 108 K N 3.027 123.373 120.400 -0.090 0.000 2.355 108 K HA 0.370 4.689 4.320 -0.000 0.000 0.270 108 K C -0.582 175.924 176.600 -0.157 0.000 1.003 108 K CA -0.342 55.864 56.287 -0.136 0.000 0.957 108 K CB 1.056 33.436 32.500 -0.201 0.000 0.939 108 K HN 0.441 nan 8.250 nan 0.000 0.482 109 V N 4.947 124.742 119.914 -0.199 0.000 2.333 109 V HA 0.199 4.319 4.120 -0.000 0.000 0.274 109 V C -0.099 175.744 176.094 -0.418 0.000 1.028 109 V CA -0.636 61.474 62.300 -0.317 0.000 0.851 109 V CB 0.481 32.099 31.823 -0.341 0.000 1.000 109 V HN 0.518 nan 8.190 nan 0.000 0.456 110 L N 5.821 126.832 121.223 -0.354 0.000 2.282 110 L HA 0.531 4.871 4.340 -0.000 0.000 0.288 110 L C -0.837 175.819 176.870 -0.356 0.000 1.033 110 L CA -0.558 54.101 54.840 -0.303 0.000 0.807 110 L CB 0.925 42.934 42.059 -0.084 0.000 1.209 110 L HN 0.489 nan 8.230 nan 0.000 0.423 111 Y N 0.943 121.117 120.300 -0.211 0.000 2.334 111 Y HA 0.190 4.740 4.550 -0.000 0.000 0.328 111 Y C 0.477 176.296 175.900 -0.136 0.000 1.130 111 Y CA -0.460 57.558 58.100 -0.137 0.000 1.163 111 Y CB 1.137 39.499 38.460 -0.164 0.000 1.207 111 Y HN 0.460 nan 8.280 nan 0.000 0.471 112 D N 2.768 123.195 120.400 0.045 0.000 2.348 112 D HA 0.303 4.943 4.640 -0.000 0.000 0.253 112 D C -1.061 175.035 176.300 -0.340 0.000 1.161 112 D CA 0.105 54.093 54.000 -0.019 0.000 0.876 112 D CB 0.856 41.810 40.800 0.257 0.000 1.160 112 D HN 0.368 nan 8.370 nan 0.000 0.459 113 V N 1.464 121.124 119.914 -0.423 0.000 2.656 113 V HA 0.610 4.730 4.120 -0.000 0.000 0.307 113 V C -0.342 175.609 176.094 -0.240 0.000 1.051 113 V CA -0.856 61.041 62.300 -0.672 0.000 0.893 113 V CB 1.946 33.314 31.823 -0.758 0.000 0.999 113 V HN 0.202 nan 8.190 nan 0.000 0.426 114 V N 5.193 125.055 119.914 -0.087 0.000 2.260 114 V HA 0.359 4.479 4.120 -0.000 0.000 0.263 114 V C -1.771 174.543 176.094 0.367 0.000 1.036 114 V CA -1.028 61.432 62.300 0.266 0.000 0.874 114 V CB 0.808 32.889 31.823 0.430 0.000 1.116 114 V HN 0.838 nan 8.190 nan 0.000 0.454 115 P HA -0.022 nan 4.420 nan 0.000 0.229 115 P C 1.418 178.610 177.300 -0.181 0.000 1.160 115 P CA 0.823 63.533 63.100 -0.651 0.000 0.777 115 P CB 0.363 31.434 31.700 -1.049 0.000 0.814 116 N N -0.150 118.618 118.700 0.114 0.000 2.188 116 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 116 N C 0.760 176.450 175.510 0.301 0.000 1.018 116 N CA 0.884 54.148 53.050 0.355 0.000 0.858 116 N CB -0.018 38.876 38.487 0.678 0.000 0.989 116 N HN 0.266 nan 8.380 nan 0.000 0.426 117 H N -2.931 116.311 119.070 0.286 0.000 2.933 117 H HA 0.431 4.987 4.556 -0.000 0.000 0.310 117 H C -0.949 174.297 175.328 -0.138 0.000 1.351 117 H CA -1.009 55.144 56.048 0.176 0.000 1.137 117 H CB 0.707 30.590 29.762 0.203 0.000 1.853 117 H HN 0.090 nan 8.280 nan 0.000 0.539 118 M N -0.077 119.373 119.600 -0.250 0.000 2.603 118 M HA 0.352 4.832 4.480 -0.000 0.000 0.275 118 M C -1.682 174.072 176.300 -0.910 0.000 1.226 118 M CA -0.790 53.881 55.300 -1.048 0.000 0.870 118 M CB 2.801 34.610 32.600 -1.318 0.000 1.716 118 M HN 0.573 nan 8.290 nan 0.000 0.482 119 N N 1.513 119.538 118.700 -1.125 0.000 2.819 119 N HA 0.095 4.835 4.740 -0.000 0.000 0.284 119 N C 0.831 176.135 175.510 -0.345 0.000 1.196 119 N CA -0.113 52.357 53.050 -0.967 0.000 1.114 119 N CB 0.454 38.544 38.487 -0.661 0.000 1.437 119 N HN 0.727 nan 8.380 nan 0.000 0.518 120 R N 2.085 122.420 120.500 -0.275 0.000 2.103 120 R HA -0.140 4.200 4.340 -0.000 0.000 0.242 120 R C 1.688 177.912 176.300 -0.127 0.000 1.142 120 R CA 1.977 57.971 56.100 -0.177 0.000 0.960 120 R CB -0.234 29.836 30.300 -0.384 0.000 0.858 120 R HN 0.511 nan 8.270 nan 0.000 0.439 121 G N -1.147 107.608 108.800 -0.075 0.000 2.920 121 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.208 121 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.208 121 G C -0.168 174.730 174.900 -0.003 0.000 1.159 121 G CA -0.412 44.667 45.100 -0.034 0.000 0.784 121 G HN 0.306 nan 8.290 nan 0.000 0.535 122 Y N 2.711 122.952 120.300 -0.098 0.000 2.544 122 Y HA 0.163 4.713 4.550 -0.000 0.000 0.330 122 Y C -0.684 175.141 175.900 -0.124 0.000 1.136 122 Y CA -2.220 55.803 58.100 -0.129 0.000 1.417 122 Y CB 1.424 39.738 38.460 -0.244 0.000 1.229 122 Y HN -0.002 nan 8.280 nan 0.000 0.532 123 P HA -0.184 nan 4.420 nan 0.000 0.211 123 P C -0.153 176.991 177.300 -0.260 0.000 1.179 123 P CA 1.419 64.293 63.100 -0.376 0.000 0.910 123 P CB 0.159 31.626 31.700 -0.388 0.000 0.785 124 D N 0.574 120.780 120.400 -0.323 0.000 2.456 124 D HA 0.221 4.861 4.640 -0.000 0.000 0.219 124 D C -0.400 175.980 176.300 0.134 0.000 1.126 124 D CA -0.486 53.481 54.000 -0.055 0.000 0.890 124 D CB -0.149 40.639 40.800 -0.020 0.000 1.025 124 D HN 0.187 nan 8.370 nan 0.000 0.511 125 K N 1.257 121.729 120.400 0.119 0.000 2.512 125 K HA 0.455 4.775 4.320 -0.000 0.000 0.263 125 K C 0.143 176.786 176.600 0.072 0.000 0.966 125 K CA -0.906 55.502 56.287 0.202 0.000 0.851 125 K CB 1.571 34.221 32.500 0.251 0.000 1.395 125 K HN -0.054 nan 8.250 nan 0.000 0.440 126 E N 0.748 120.968 120.200 0.033 0.000 2.442 126 E HA 0.120 4.469 4.350 -0.000 0.000 0.195 126 E C -0.078 176.453 176.600 -0.115 0.000 1.030 126 E CA 0.413 56.788 56.400 -0.042 0.000 0.869 126 E CB 0.105 29.768 29.700 -0.062 0.000 0.857 126 E HN 0.390 nan 8.360 nan 0.000 0.505 127 I N 1.972 122.453 120.570 -0.147 0.000 2.354 127 I HA 0.204 4.374 4.170 -0.000 0.000 0.286 127 I C -0.942 175.086 176.117 -0.148 0.000 1.007 127 I CA -0.541 60.621 61.300 -0.230 0.000 1.167 127 I CB 1.225 38.988 38.000 -0.395 0.000 1.320 127 I HN -0.118 nan 8.210 nan 0.000 0.458 128 N N 7.352 125.970 118.700 -0.136 0.000 2.491 128 N HA 0.546 5.286 4.740 -0.000 0.000 0.274 128 N C -1.311 174.151 175.510 -0.081 0.000 1.023 128 N CA -0.444 52.570 53.050 -0.059 0.000 0.902 128 N CB 1.878 40.346 38.487 -0.031 0.000 1.267 128 N HN 0.403 nan 8.380 nan 0.000 0.503 129 L N 3.477 124.707 121.223 0.011 0.000 2.305 129 L HA 0.624 4.964 4.340 -0.000 0.000 0.284 129 L C -1.992 175.130 176.870 0.421 0.000 1.013 129 L CA -1.802 53.017 54.840 -0.034 0.000 0.819 129 L CB 1.511 43.319 42.059 -0.419 0.000 1.227 129 L HN 0.306 nan 8.230 nan 0.000 0.417 130 P HA 0.246 nan 4.420 nan 0.000 0.274 130 P C -0.708 176.897 177.300 0.507 0.000 1.246 130 P CA -0.437 62.881 63.100 0.362 0.000 0.795 130 P CB 1.342 33.188 31.700 0.243 0.000 1.006 131 A N 0.433 123.418 122.820 0.276 0.000 2.304 131 A HA 0.575 4.895 4.320 -0.000 0.000 0.271 131 A C 0.748 178.428 177.584 0.159 0.000 1.091 131 A CA 0.099 52.270 52.037 0.223 0.000 0.812 131 A CB -0.898 18.131 19.000 0.049 0.000 1.056 131 A HN 0.888 nan 8.150 nan 0.000 0.489 132 G N 0.413 109.290 108.800 0.129 0.000 2.515 132 G HA2 0.013 3.973 3.960 -0.000 0.000 0.208 132 G HA3 0.013 3.973 3.960 -0.000 0.000 0.208 132 G C 0.024 174.923 174.900 -0.001 0.000 0.737 132 G CA 0.503 45.636 45.100 0.055 0.000 0.987 132 G HN 1.095 nan 8.290 nan 0.000 0.307 133 Q N -0.373 119.367 119.800 -0.100 0.000 2.131 133 Q HA 0.005 4.345 4.340 -0.000 0.000 0.142 133 Q C 1.476 177.185 176.000 -0.484 0.000 0.773 133 Q CA 0.992 56.602 55.803 -0.322 0.000 0.580 133 Q CB -0.638 27.785 28.738 -0.525 0.000 0.979 133 Q HN 2.588 nan 8.270 nan 0.000 0.369 134 G N 1.308 109.950 108.800 -0.263 0.000 2.137 134 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.237 134 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.237 134 G C 0.264 175.104 174.900 -0.100 0.000 1.002 134 G CA 0.539 45.587 45.100 -0.087 0.000 0.702 134 G HN 0.237 nan 8.290 nan 0.000 0.515 135 F N -1.188 118.712 119.950 -0.084 0.000 2.512 135 F HA 0.363 4.890 4.527 -0.000 0.000 0.296 135 F C 1.480 176.981 175.800 -0.499 0.000 1.110 135 F CA -0.146 57.590 58.000 -0.440 0.000 1.446 135 F CB -0.075 38.493 39.000 -0.720 0.000 1.092 135 F HN 0.310 nan 8.300 nan 0.000 0.554 136 W N -0.410 121.020 121.300 0.216 0.000 2.647 136 W HA 0.488 5.148 4.660 -0.000 0.000 0.353 136 W C 1.668 178.280 176.519 0.155 0.000 1.080 136 W CA -1.059 56.393 57.345 0.178 0.000 1.208 136 W CB 0.677 30.221 29.460 0.140 0.000 1.396 136 W HN -0.419 nan 8.180 nan 0.000 0.573 137 R N 1.506 122.271 120.500 0.441 0.000 2.073 137 R HA -0.232 4.108 4.340 -0.000 0.000 0.234 137 R C 1.638 178.087 176.300 0.249 0.000 1.134 137 R CA 2.164 58.447 56.100 0.305 0.000 0.952 137 R CB -0.397 30.084 30.300 0.301 0.000 0.850 137 R HN 0.651 nan 8.270 nan 0.000 0.433 138 N N 0.304 119.159 118.700 0.258 0.000 2.571 138 N HA -0.123 4.617 4.740 -0.000 0.000 0.189 138 N C 0.254 175.855 175.510 0.152 0.000 1.154 138 N CA 0.932 54.082 53.050 0.165 0.000 0.907 138 N CB -0.134 38.416 38.487 0.105 0.000 0.977 138 N HN 0.226 nan 8.380 nan 0.000 0.449 139 D N -0.205 120.318 120.400 0.205 0.000 2.277 139 D HA 0.047 4.686 4.640 -0.000 0.000 0.208 139 D C 0.063 176.430 176.300 0.113 0.000 0.962 139 D CA 0.326 54.423 54.000 0.162 0.000 0.865 139 D CB 0.155 41.067 40.800 0.186 0.000 0.939 139 D HN 0.281 nan 8.370 nan 0.000 0.510 140 c N 0.057 118.729 118.600 0.121 0.000 2.423 140 c HA 0.783 5.353 4.570 -0.000 0.000 0.378 140 c C 0.459 174.603 174.090 0.090 0.000 1.244 140 c CA -1.223 55.164 56.329 0.097 0.000 1.978 140 c CB 1.316 43.888 42.510 0.103 0.000 2.252 140 c HN 0.255 nan 8.230 nan 0.000 0.526 141 A N 1.162 124.029 122.820 0.077 0.000 2.454 141 A HA 0.383 4.702 4.320 -0.000 0.000 0.260 141 A C -0.268 177.367 177.584 0.086 0.000 1.106 141 A CA 0.396 52.474 52.037 0.069 0.000 0.780 141 A CB -0.064 18.970 19.000 0.055 0.000 1.044 141 A HN 0.835 nan 8.150 nan 0.000 0.498 142 D N 3.771 124.219 120.400 0.081 0.000 2.493 142 D HA 0.300 4.939 4.640 -0.000 0.000 0.235 142 D C -0.712 175.633 176.300 0.074 0.000 1.117 142 D CA -1.503 52.552 54.000 0.092 0.000 0.930 142 D CB 0.804 41.659 40.800 0.092 0.000 1.010 142 D HN 0.373 nan 8.370 nan 0.000 0.514 143 P HA 0.063 nan 4.420 nan 0.000 0.214 143 P C 0.593 177.926 177.300 0.054 0.000 1.163 143 P CA 0.724 63.860 63.100 0.059 0.000 0.883 143 P CB 0.512 32.249 31.700 0.062 0.000 0.788 144 G N -1.105 107.747 108.800 0.087 0.000 2.490 144 G HA2 0.087 4.047 3.960 -0.000 0.000 0.308 144 G HA3 0.087 4.047 3.960 -0.000 0.000 0.308 144 G C -1.543 173.428 174.900 0.118 0.000 1.286 144 G CA -0.647 44.498 45.100 0.074 0.000 0.825 144 G HN 0.246 nan 8.290 nan 0.000 0.479 145 N N 0.043 118.794 118.700 0.084 0.000 2.744 145 N HA 0.309 5.049 4.740 -0.000 0.000 0.290 145 N C -1.090 174.505 175.510 0.141 0.000 1.206 145 N CA -0.011 53.088 53.050 0.082 0.000 1.119 145 N CB -0.081 38.416 38.487 0.017 0.000 1.449 145 N HN 0.490 nan 8.380 nan 0.000 0.514 146 Y N 2.326 122.640 120.300 0.024 0.000 2.641 146 Y HA 0.362 4.912 4.550 -0.000 0.000 0.333 146 Y C -2.729 173.215 175.900 0.073 0.000 1.174 146 Y CA -1.811 56.310 58.100 0.035 0.000 1.057 146 Y CB 1.619 40.108 38.460 0.048 0.000 1.322 146 Y HN 0.318 nan 8.280 nan 0.000 0.457 147 P HA 0.120 nan 4.420 nan 0.000 0.266 147 P C -1.198 176.150 177.300 0.079 0.000 1.195 147 P CA 0.316 63.307 63.100 -0.182 0.000 0.768 147 P CB 0.454 31.962 31.700 -0.321 0.000 0.838 148 N N 1.087 119.859 118.700 0.120 0.000 3.100 148 N HA 0.216 4.956 4.740 -0.000 0.000 0.344 148 N C 0.069 175.652 175.510 0.122 0.000 1.413 148 N CA -0.407 52.736 53.050 0.155 0.000 0.752 148 N CB 0.076 38.658 38.487 0.158 0.000 1.519 148 N HN 0.077 nan 8.380 nan 0.000 0.620 149 D N -0.767 119.700 120.400 0.111 0.000 2.355 149 D HA 0.103 4.743 4.640 -0.000 0.000 0.218 149 D C 0.300 176.657 176.300 0.095 0.000 1.004 149 D CA 0.489 54.543 54.000 0.090 0.000 0.880 149 D CB -0.147 40.697 40.800 0.073 0.000 0.911 149 D HN 0.407 nan 8.370 nan 0.000 0.528 150 c N 0.566 119.238 118.600 0.121 0.000 3.038 150 c HA 0.187 4.757 4.570 -0.000 0.000 0.279 150 c C 0.238 174.433 174.090 0.173 0.000 1.276 150 c CA -0.454 55.963 56.329 0.146 0.000 1.697 150 c CB -0.189 42.419 42.510 0.163 0.000 2.032 150 c HN 0.135 nan 8.230 nan 0.000 0.636 151 D N 0.339 120.835 120.400 0.160 0.000 2.484 151 D HA 0.095 4.735 4.640 -0.000 0.000 0.206 151 D C -0.527 175.856 176.300 0.139 0.000 1.322 151 D CA -0.063 54.048 54.000 0.186 0.000 0.913 151 D CB 0.628 41.563 40.800 0.225 0.000 1.559 151 D HN 0.193 nan 8.370 nan 0.000 0.565 152 D N 1.841 122.321 120.400 0.132 0.000 2.344 152 D HA 0.287 4.927 4.640 -0.000 0.000 0.242 152 D C 0.731 177.063 176.300 0.053 0.000 1.159 152 D CA -0.167 53.878 54.000 0.075 0.000 0.859 152 D CB 0.203 41.042 40.800 0.066 0.000 0.925 152 D HN 0.356 nan 8.370 nan 0.000 0.510 153 G N -0.929 107.922 108.800 0.085 0.000 3.022 153 G HA2 0.394 4.354 3.960 -0.000 0.000 0.284 153 G HA3 0.394 4.354 3.960 -0.000 0.000 0.284 153 G C -1.001 173.923 174.900 0.039 0.000 1.375 153 G CA -0.812 44.312 45.100 0.039 0.000 0.902 153 G HN -0.049 nan 8.290 nan 0.000 0.538 154 D N -0.040 120.367 120.400 0.012 0.000 2.371 154 D HA 0.350 4.990 4.640 -0.000 0.000 0.242 154 D C 0.853 177.316 176.300 0.272 0.000 1.218 154 D CA 0.032 54.066 54.000 0.056 0.000 0.945 154 D CB 0.836 41.595 40.800 -0.067 0.000 1.137 154 D HN 0.570 nan 8.370 nan 0.000 0.464 155 R N -0.412 120.257 120.500 0.282 0.000 2.782 155 R HA 0.543 4.883 4.340 -0.000 0.000 0.258 155 R C -1.015 175.534 176.300 0.415 0.000 1.055 155 R CA -0.783 55.526 56.100 0.347 0.000 1.065 155 R CB 0.707 31.137 30.300 0.217 0.000 1.172 155 R HN 0.336 nan 8.270 nan 0.000 0.510 156 F N 3.075 123.093 119.950 0.113 0.000 2.361 156 F HA 0.372 4.899 4.527 -0.000 0.000 0.364 156 F C 0.616 176.326 175.800 -0.149 0.000 1.117 156 F CA -0.658 57.237 58.000 -0.174 0.000 1.071 156 F CB -0.112 38.602 39.000 -0.476 0.000 1.188 156 F HN 0.859 nan 8.300 nan 0.000 0.464 157 I N 3.184 123.377 120.570 -0.628 0.000 4.907 157 I HA -0.446 3.724 4.170 -0.000 0.000 0.038 157 I C 1.917 177.867 176.117 -0.278 0.000 0.635 157 I CA 1.480 62.432 61.300 -0.579 0.000 0.207 157 I CB -1.438 36.022 38.000 -0.900 0.000 0.320 157 I HN 0.639 nan 8.210 nan 0.000 0.150 158 G N 0.025 108.678 108.800 -0.246 0.000 2.422 158 G HA2 0.230 4.190 3.960 -0.000 0.000 0.218 158 G HA3 0.230 4.190 3.960 -0.000 0.000 0.218 158 G C 1.205 176.090 174.900 -0.025 0.000 1.146 158 G CA 1.502 46.534 45.100 -0.114 0.000 0.769 158 G HN 1.995 nan 8.290 nan 0.000 0.547 159 G N 0.529 109.342 108.800 0.022 0.000 2.157 159 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.239 159 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.239 159 G C 0.770 175.766 174.900 0.160 0.000 0.982 159 G CA 0.837 46.017 45.100 0.134 0.000 0.650 159 G HN 0.660 nan 8.290 nan 0.000 0.527 160 D N -0.011 120.453 120.400 0.106 0.000 2.340 160 D HA 0.473 5.113 4.640 -0.000 0.000 0.220 160 D C 1.749 178.092 176.300 0.072 0.000 1.039 160 D CA 0.932 54.972 54.000 0.067 0.000 0.866 160 D CB -0.158 40.639 40.800 -0.004 0.000 0.913 160 D HN 0.808 nan 8.370 nan 0.000 0.523 161 A N 0.045 123.001 122.820 0.227 0.000 2.382 161 A HA 0.154 4.474 4.320 -0.000 0.000 0.228 161 A C 0.158 178.074 177.584 0.552 0.000 1.217 161 A CA -0.388 51.840 52.037 0.319 0.000 0.923 161 A CB 0.064 19.312 19.000 0.413 0.000 0.979 161 A HN -0.050 nan 8.150 nan 0.000 0.515 162 D N 0.455 121.163 120.400 0.512 0.000 2.458 162 D HA 0.384 5.024 4.640 -0.000 0.000 0.243 162 D C -0.232 176.401 176.300 0.555 0.000 1.146 162 D CA 0.750 55.061 54.000 0.519 0.000 0.877 162 D CB 0.628 41.684 40.800 0.428 0.000 1.176 162 D HN 0.253 nan 8.370 nan 0.000 0.461 163 L N 2.631 124.091 121.223 0.395 0.000 2.343 163 L HA 0.272 4.612 4.340 -0.000 0.000 0.275 163 L C 0.619 177.629 176.870 0.234 0.000 1.056 163 L CA -0.806 54.133 54.840 0.166 0.000 0.804 163 L CB 0.887 43.019 42.059 0.122 0.000 1.203 163 L HN 0.321 nan 8.230 nan 0.000 0.440 164 N N 0.659 119.459 118.700 0.168 0.000 2.807 164 N HA -0.010 4.730 4.740 -0.000 0.000 0.259 164 N C 1.052 176.724 175.510 0.269 0.000 1.149 164 N CA -0.068 53.116 53.050 0.225 0.000 1.042 164 N CB 0.575 39.190 38.487 0.212 0.000 1.367 164 N HN 0.685 nan 8.380 nan 0.000 0.516 165 T N -1.120 113.617 114.554 0.305 0.000 3.025 165 T HA -0.047 4.303 4.350 -0.000 0.000 0.270 165 T C 1.658 176.558 174.700 0.332 0.000 1.126 165 T CA 0.988 63.319 62.100 0.385 0.000 1.105 165 T CB -0.219 68.876 68.868 0.379 0.000 0.884 165 T HN 0.329 nan 8.240 nan 0.000 0.522 166 G N -0.035 108.902 108.800 0.229 0.000 2.623 166 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.214 166 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.214 166 G C 0.560 175.548 174.900 0.146 0.000 1.138 166 G CA -0.346 44.828 45.100 0.123 0.000 0.794 166 G HN 0.646 nan 8.290 nan 0.000 0.535 167 H N 2.097 121.254 119.070 0.145 0.000 2.975 167 H HA 0.082 4.638 4.556 -0.000 0.000 0.303 167 H C -1.120 174.318 175.328 0.182 0.000 1.023 167 H CA -1.616 54.516 56.048 0.141 0.000 1.473 167 H CB 1.834 31.705 29.762 0.181 0.000 1.498 167 H HN 0.011 nan 8.280 nan 0.000 0.549 168 P HA -0.246 nan 4.420 nan 0.000 0.218 168 P C 1.386 178.908 177.300 0.369 0.000 1.152 168 P CA 1.511 64.730 63.100 0.198 0.000 0.857 168 P CB 0.230 31.945 31.700 0.024 0.000 0.787 169 Q N -0.463 119.695 119.800 0.596 0.000 2.245 169 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 169 Q C 1.941 178.032 176.000 0.151 0.000 0.955 169 Q CA 0.818 56.815 55.803 0.322 0.000 0.870 169 Q CB -0.083 28.842 28.738 0.311 0.000 0.945 169 Q HN 0.037 nan 8.270 nan 0.000 0.461 170 V N 0.270 120.327 119.914 0.239 0.000 2.407 170 V HA -0.208 3.911 4.120 -0.000 0.000 0.245 170 V C 1.901 178.185 176.094 0.318 0.000 1.041 170 V CA 1.616 63.992 62.300 0.126 0.000 1.040 170 V CB -0.737 31.191 31.823 0.174 0.000 0.671 170 V HN 0.469 nan 8.190 nan 0.000 0.455 171 Y N 2.123 122.627 120.300 0.339 0.000 2.128 171 Y HA -0.184 4.366 4.550 -0.000 0.000 0.284 171 Y C 2.314 178.472 175.900 0.429 0.000 1.154 171 Y CA 1.915 60.292 58.100 0.462 0.000 1.149 171 Y CB -0.802 37.773 38.460 0.191 0.000 0.976 171 Y HN 0.195 nan 8.280 nan 0.000 0.505 172 G N 0.424 109.386 108.800 0.270 0.000 2.418 172 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.217 172 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.217 172 G C 1.778 176.627 174.900 -0.086 0.000 1.158 172 G CA 0.994 46.162 45.100 0.113 0.000 0.771 172 G HN 0.528 nan 8.290 nan 0.000 0.545 173 M N -0.698 118.815 119.600 -0.144 0.000 2.080 173 M HA -0.014 4.466 4.480 -0.000 0.000 0.260 173 M C 2.290 178.275 176.300 -0.524 0.000 1.068 173 M CA 1.561 56.669 55.300 -0.320 0.000 1.109 173 M CB -0.201 32.146 32.600 -0.422 0.000 1.342 173 M HN 0.208 nan 8.290 nan 0.000 0.405 174 F N 0.097 119.756 119.950 -0.485 0.000 2.163 174 F HA -0.097 4.429 4.527 -0.000 0.000 0.297 174 F C 2.738 177.639 175.800 -1.498 0.000 1.094 174 F CA 1.362 58.669 58.000 -1.154 0.000 1.290 174 F CB -0.917 37.297 39.000 -1.310 0.000 1.017 174 F HN 0.179 nan 8.300 nan 0.000 0.483 175 R N 0.893 120.979 120.500 -0.691 0.000 2.096 175 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 175 R C 1.568 177.679 176.300 -0.316 0.000 1.139 175 R CA 2.239 58.101 56.100 -0.397 0.000 0.952 175 R CB -0.752 29.448 30.300 -0.166 0.000 0.854 175 R HN 0.222 nan 8.270 nan 0.000 0.436 176 D N 0.049 120.266 120.400 -0.305 0.000 2.144 176 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 176 D C 1.812 177.935 176.300 -0.294 0.000 0.978 176 D CA 1.041 54.913 54.000 -0.214 0.000 0.833 176 D CB -0.201 40.504 40.800 -0.158 0.000 0.961 176 D HN 0.286 nan 8.370 nan 0.000 0.470 177 E N 0.137 120.006 120.200 -0.553 0.000 2.106 177 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 177 E C 1.727 178.129 176.600 -0.330 0.000 0.984 177 E CA 0.756 56.772 56.400 -0.641 0.000 0.806 177 E CB -0.307 28.564 29.700 -1.382 0.000 0.750 177 E HN 0.117 nan 8.360 nan 0.000 0.458 178 F N 0.510 120.242 119.950 -0.363 0.000 2.171 178 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 178 F C 2.416 178.199 175.800 -0.029 0.000 1.090 178 F CA 1.517 59.308 58.000 -0.348 0.000 1.293 178 F CB -1.298 37.351 39.000 -0.585 0.000 1.013 178 F HN 0.038 nan 8.300 nan 0.000 0.486 179 T N -0.333 114.294 114.554 0.122 0.000 2.821 179 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 179 T C 1.992 176.756 174.700 0.106 0.000 1.046 179 T CA 1.318 63.494 62.100 0.126 0.000 1.139 179 T CB -0.476 68.434 68.868 0.071 0.000 0.871 179 T HN 0.361 nan 8.240 nan 0.000 0.454 180 N N 0.767 119.497 118.700 0.050 0.000 2.084 180 N HA -0.067 4.673 4.740 -0.000 0.000 0.190 180 N C 1.933 177.551 175.510 0.179 0.000 1.030 180 N CA 0.961 54.056 53.050 0.074 0.000 0.849 180 N CB -0.151 38.334 38.487 -0.004 0.000 1.012 180 N HN 0.325 nan 8.380 nan 0.000 0.423 181 L N 0.758 122.065 121.223 0.141 0.000 2.083 181 L HA -0.116 4.223 4.340 -0.000 0.000 0.209 181 L C 2.777 179.786 176.870 0.230 0.000 1.083 181 L CA 0.986 55.907 54.840 0.135 0.000 0.752 181 L CB -0.283 41.783 42.059 0.012 0.000 0.899 181 L HN 0.193 nan 8.230 nan 0.000 0.433 182 R N -0.556 120.091 120.500 0.246 0.000 2.073 182 R HA -0.116 4.224 4.340 -0.000 0.000 0.229 182 R C 2.612 178.984 176.300 0.119 0.000 1.120 182 R CA 1.673 57.884 56.100 0.185 0.000 0.967 182 R CB -0.243 30.180 30.300 0.204 0.000 0.862 182 R HN 0.441 nan 8.270 nan 0.000 0.436 183 S N -0.066 115.697 115.700 0.105 0.000 2.425 183 S HA -0.060 4.409 4.470 -0.000 0.000 0.225 183 S C 1.599 176.193 174.600 -0.010 0.000 1.024 183 S CA 0.508 58.736 58.200 0.046 0.000 0.951 183 S CB 0.251 63.476 63.200 0.042 0.000 0.796 183 S HN 0.306 nan 8.310 nan 0.000 0.498 184 Q N -1.197 118.583 119.800 -0.033 0.000 2.246 184 Q HA 0.272 4.612 4.340 -0.000 0.000 0.222 184 Q C -0.210 175.480 176.000 -0.518 0.000 0.851 184 Q CA 0.121 55.755 55.803 -0.282 0.000 0.945 184 Q CB 0.499 28.984 28.738 -0.422 0.000 1.122 184 Q HN 0.728 nan 8.270 nan 0.000 0.508 185 Y N -0.586 119.701 120.300 -0.021 0.000 2.707 185 Y HA 0.310 4.860 4.550 -0.000 0.000 0.249 185 Y C 1.059 177.018 175.900 0.099 0.000 1.166 185 Y CA -0.151 57.944 58.100 -0.009 0.000 1.184 185 Y CB 1.276 39.647 38.460 -0.148 0.000 1.240 185 Y HN 0.120 nan 8.280 nan 0.000 0.547 186 G N 1.353 110.237 108.800 0.140 0.000 2.341 186 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.292 186 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.292 186 G C 0.331 175.294 174.900 0.105 0.000 1.021 186 G CA 0.201 45.355 45.100 0.089 0.000 0.905 186 G HN 0.659 nan 8.290 nan 0.000 0.508 187 A N -0.368 122.558 122.820 0.176 0.000 2.454 187 A HA 0.641 4.961 4.320 -0.000 0.000 0.260 187 A C 1.500 179.012 177.584 -0.119 0.000 1.106 187 A CA 0.997 53.068 52.037 0.057 0.000 0.780 187 A CB 0.769 19.813 19.000 0.072 0.000 1.044 187 A HN 1.535 nan 8.150 nan 0.000 0.498 188 G N 1.268 109.940 108.800 -0.213 0.000 3.159 188 G HA2 0.518 4.478 3.960 -0.000 0.000 0.232 188 G HA3 0.518 4.478 3.960 -0.000 0.000 0.232 188 G C 0.546 175.301 174.900 -0.242 0.000 1.116 188 G CA 0.672 45.662 45.100 -0.184 0.000 0.767 188 G HN 1.739 nan 8.290 nan 0.000 0.547 189 G N -0.907 107.589 108.800 -0.507 0.000 2.341 189 G HA2 0.422 4.382 3.960 -0.000 0.000 0.293 189 G HA3 0.422 4.382 3.960 -0.000 0.000 0.293 189 G C -1.895 172.362 174.900 -1.071 0.000 1.298 189 G CA -1.011 43.739 45.100 -0.583 0.000 0.868 189 G HN 0.136 nan 8.290 nan 0.000 0.540 190 F N -0.238 119.659 119.950 -0.087 0.000 2.588 190 F HA 0.783 5.310 4.527 -0.000 0.000 0.310 190 F C 0.232 175.864 175.800 -0.280 0.000 1.082 190 F CA -0.995 56.814 58.000 -0.318 0.000 0.929 190 F CB 2.424 40.960 39.000 -0.773 0.000 1.254 190 F HN 0.421 nan 8.300 nan 0.000 0.455 191 R N 2.544 122.932 120.500 -0.187 0.000 2.288 191 R HA 0.414 4.754 4.340 -0.000 0.000 0.326 191 R C -1.921 174.269 176.300 -0.184 0.000 0.959 191 R CA -0.440 55.544 56.100 -0.194 0.000 0.834 191 R CB 0.366 30.361 30.300 -0.508 0.000 1.157 191 R HN 0.586 nan 8.270 nan 0.000 0.470 192 F N 2.771 122.775 119.950 0.089 0.000 2.421 192 F HA 0.145 4.672 4.527 -0.000 0.000 0.358 192 F C 0.888 176.830 175.800 0.236 0.000 1.115 192 F CA -0.283 57.822 58.000 0.176 0.000 1.160 192 F CB 0.946 40.123 39.000 0.296 0.000 1.123 192 F HN 0.485 nan 8.300 nan 0.000 0.508 193 D N 2.657 123.317 120.400 0.433 0.000 2.302 193 D HA 0.137 4.776 4.640 -0.000 0.000 0.248 193 D C 0.041 176.681 176.300 0.567 0.000 1.094 193 D CA -0.093 54.194 54.000 0.477 0.000 0.897 193 D CB 0.376 41.488 40.800 0.520 0.000 1.200 193 D HN 0.440 nan 8.370 nan 0.000 0.429 194 F N 2.836 122.928 119.950 0.236 0.000 2.829 194 F HA -0.272 4.255 4.527 -0.000 0.000 0.237 194 F C 1.068 176.838 175.800 -0.050 0.000 1.017 194 F CA 0.750 58.829 58.000 0.132 0.000 0.882 194 F CB -0.793 38.352 39.000 0.242 0.000 0.795 194 F HN 0.291 nan 8.300 nan 0.000 0.848 195 V N 1.141 120.914 119.914 -0.235 0.000 2.867 195 V HA -0.246 3.874 4.120 -0.000 0.000 0.260 195 V C 2.282 177.991 176.094 -0.642 0.000 1.099 195 V CA 1.946 63.919 62.300 -0.545 0.000 1.122 195 V CB -0.704 30.831 31.823 -0.480 0.000 0.708 195 V HN 0.717 nan 8.190 nan 0.000 0.490 196 R N 1.327 121.435 120.500 -0.653 0.000 2.237 196 R HA 0.096 4.436 4.340 -0.000 0.000 0.219 196 R C 2.054 178.071 176.300 -0.472 0.000 1.080 196 R CA 1.373 57.127 56.100 -0.578 0.000 0.995 196 R CB -0.998 28.884 30.300 -0.696 0.000 0.875 196 R HN 0.496 nan 8.270 nan 0.000 0.462 197 G N 0.400 108.943 108.800 -0.429 0.000 2.920 197 G HA2 0.032 3.992 3.960 -0.000 0.000 0.208 197 G HA3 0.032 3.992 3.960 -0.000 0.000 0.208 197 G C -0.248 174.806 174.900 0.257 0.000 1.159 197 G CA 0.136 45.329 45.100 0.155 0.000 0.784 197 G HN 0.516 nan 8.290 nan 0.000 0.535 198 Y N -3.750 116.669 120.300 0.198 0.000 2.713 198 Y HA 0.714 5.264 4.550 -0.000 0.000 0.335 198 Y C -0.097 175.894 175.900 0.150 0.000 1.222 198 Y CA -2.205 56.011 58.100 0.193 0.000 1.061 198 Y CB 0.466 39.090 38.460 0.274 0.000 1.314 198 Y HN 0.102 nan 8.280 nan 0.000 0.453 199 A N 2.022 124.994 122.820 0.254 0.000 2.511 199 A HA 0.407 4.727 4.320 -0.000 0.000 0.242 199 A C -1.885 175.780 177.584 0.135 0.000 1.069 199 A CA -0.978 51.136 52.037 0.129 0.000 0.763 199 A CB -0.277 18.754 19.000 0.051 0.000 1.001 199 A HN 0.660 nan 8.150 nan 0.000 0.498 200 P HA -0.118 nan 4.420 nan 0.000 0.217 200 P C 0.850 178.012 177.300 -0.231 0.000 1.150 200 P CA 1.257 64.257 63.100 -0.168 0.000 0.832 200 P CB 0.195 31.611 31.700 -0.472 0.000 0.787 201 E N -0.467 119.637 120.200 -0.161 0.000 2.118 201 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 201 E C 2.187 178.683 176.600 -0.174 0.000 0.992 201 E CA 0.968 57.267 56.400 -0.167 0.000 0.804 201 E CB -0.607 29.015 29.700 -0.131 0.000 0.741 201 E HN 0.145 nan 8.360 nan 0.000 0.458 202 R N 0.125 120.521 120.500 -0.173 0.000 2.096 202 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 202 R C 1.953 178.079 176.300 -0.290 0.000 1.127 202 R CA 1.036 56.931 56.100 -0.343 0.000 0.968 202 R CB -0.153 29.869 30.300 -0.463 0.000 0.861 202 R HN 0.074 nan 8.270 nan 0.000 0.440 203 V N 1.545 121.404 119.914 -0.092 0.000 2.343 203 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 203 V C 2.236 178.284 176.094 -0.077 0.000 1.051 203 V CA 2.132 64.371 62.300 -0.103 0.000 1.036 203 V CB -0.789 30.883 31.823 -0.252 0.000 0.654 203 V HN 0.548 nan 8.190 nan 0.000 0.451 204 N N -0.112 118.508 118.700 -0.132 0.000 2.120 204 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 204 N C 1.968 177.487 175.510 0.015 0.000 1.024 204 N CA 1.691 54.690 53.050 -0.085 0.000 0.852 204 N CB 0.052 38.451 38.487 -0.146 0.000 1.003 204 N HN 0.444 nan 8.380 nan 0.000 0.424 205 S N 0.182 115.881 115.700 -0.001 0.000 2.356 205 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 205 S C 1.509 176.289 174.600 0.299 0.000 1.032 205 S CA 0.785 59.034 58.200 0.082 0.000 1.005 205 S CB -0.350 62.831 63.200 -0.032 0.000 0.867 205 S HN 0.495 nan 8.310 nan 0.000 0.449 206 W N 1.438 122.905 121.300 0.279 0.000 2.358 206 W HA 0.024 4.684 4.660 -0.000 0.000 0.303 206 W C 2.264 178.920 176.519 0.228 0.000 1.208 206 W CA 0.713 58.216 57.345 0.263 0.000 1.274 206 W CB -0.858 28.800 29.460 0.329 0.000 1.138 206 W HN 0.315 nan 8.180 nan 0.000 0.515 207 M N -0.367 119.471 119.600 0.398 0.000 2.099 207 M HA -0.116 4.363 4.480 -0.000 0.000 0.262 207 M C 1.878 178.319 176.300 0.236 0.000 1.067 207 M CA 1.687 57.165 55.300 0.297 0.000 1.124 207 M CB -1.960 30.773 32.600 0.222 0.000 1.353 207 M HN -0.146 nan 8.290 nan 0.000 0.410 208 T N 0.814 115.481 114.554 0.188 0.000 2.720 208 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 208 T C 1.398 176.200 174.700 0.169 0.000 1.037 208 T CA 1.673 63.860 62.100 0.145 0.000 1.144 208 T CB -0.290 68.636 68.868 0.097 0.000 0.864 208 T HN 0.271 nan 8.240 nan 0.000 0.444 209 D N 0.697 121.231 120.400 0.223 0.000 2.117 209 D HA 0.014 4.654 4.640 -0.000 0.000 0.198 209 D C 2.302 178.731 176.300 0.215 0.000 0.982 209 D CA 1.067 55.203 54.000 0.227 0.000 0.828 209 D CB -0.153 40.827 40.800 0.300 0.000 0.967 209 D HN 0.321 nan 8.370 nan 0.000 0.464 210 S N -1.099 114.757 115.700 0.260 0.000 2.506 210 S HA 0.433 4.903 4.470 -0.000 0.000 0.219 210 S C 0.970 175.732 174.600 0.269 0.000 1.031 210 S CA 0.207 58.562 58.200 0.258 0.000 0.911 210 S CB 1.558 64.946 63.200 0.314 0.000 0.812 210 S HN 0.279 nan 8.310 nan 0.000 0.497 211 A N 0.998 123.982 122.820 0.273 0.000 3.318 211 A HA 0.388 4.708 4.320 -0.000 0.000 0.209 211 A C 0.297 178.008 177.584 0.212 0.000 1.102 211 A CA -0.352 51.836 52.037 0.253 0.000 1.128 211 A CB -0.294 18.920 19.000 0.357 0.000 1.310 211 A HN 0.080 nan 8.150 nan 0.000 0.726 212 D N 0.846 121.350 120.400 0.174 0.000 2.172 212 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 212 D C 1.244 177.622 176.300 0.130 0.000 0.999 212 D CA 2.062 56.145 54.000 0.139 0.000 0.856 212 D CB 0.231 41.096 40.800 0.109 0.000 0.934 212 D HN 0.508 nan 8.370 nan 0.000 0.453 213 N N -0.302 118.481 118.700 0.138 0.000 2.270 213 N HA 0.072 4.812 4.740 -0.000 0.000 0.198 213 N C -0.187 175.454 175.510 0.218 0.000 1.117 213 N CA -0.002 53.136 53.050 0.148 0.000 0.845 213 N CB 0.663 39.222 38.487 0.119 0.000 0.980 213 N HN 0.049 nan 8.380 nan 0.000 0.486 214 S N 0.265 116.088 115.700 0.206 0.000 2.661 214 S HA 0.274 4.744 4.470 -0.000 0.000 0.265 214 S C -0.189 174.567 174.600 0.261 0.000 1.225 214 S CA -0.504 57.823 58.200 0.213 0.000 0.986 214 S CB 0.901 64.171 63.200 0.116 0.000 1.008 214 S HN 0.178 nan 8.310 nan 0.000 0.565 215 F N 1.658 121.648 119.950 0.067 0.000 2.394 215 F HA 0.532 5.059 4.527 -0.000 0.000 0.340 215 F C 0.087 175.928 175.800 0.068 0.000 1.105 215 F CA -0.820 57.226 58.000 0.075 0.000 1.124 215 F CB 0.301 39.288 39.000 -0.022 0.000 1.145 215 F HN 0.709 nan 8.300 nan 0.000 0.505 216 c N 5.126 123.381 118.600 -0.574 0.000 2.994 216 c HA 0.912 5.482 4.570 -0.000 0.000 0.304 216 c C -0.965 172.839 174.090 -0.478 0.000 1.273 216 c CA -1.228 54.970 56.329 -0.218 0.000 1.537 216 c CB 0.853 43.460 42.510 0.161 0.000 2.001 216 c HN 0.905 nan 8.230 nan 0.000 0.471 217 V N 1.109 120.969 119.914 -0.091 0.000 2.891 217 V HA 0.885 5.005 4.120 -0.000 0.000 0.304 217 V C -0.069 176.085 176.094 0.101 0.000 1.171 217 V CA 0.695 62.908 62.300 -0.145 0.000 0.943 217 V CB 2.043 33.633 31.823 -0.388 0.000 1.037 217 V HN 1.654 nan 8.190 nan 0.000 0.427 218 G N 3.171 112.016 108.800 0.075 0.000 2.452 218 G HA2 0.607 4.567 3.960 -0.000 0.000 0.324 218 G HA3 0.607 4.567 3.960 -0.000 0.000 0.324 218 G C -1.124 173.740 174.900 -0.060 0.000 1.214 218 G CA -0.459 44.609 45.100 -0.053 0.000 0.947 218 G HN 0.814 nan 8.290 nan 0.000 0.478 219 E N 1.500 121.764 120.200 0.107 0.000 2.055 219 E HA 0.311 4.661 4.350 -0.000 0.000 0.274 219 E C -1.180 175.349 176.600 -0.118 0.000 0.949 219 E CA -0.669 55.862 56.400 0.218 0.000 0.775 219 E CB 1.062 30.892 29.700 0.216 0.000 1.097 219 E HN 0.258 nan 8.360 nan 0.000 0.404 220 L N 7.220 128.323 121.223 -0.200 0.000 2.301 220 L HA 0.359 4.699 4.340 -0.000 0.000 0.278 220 L C -1.757 174.993 176.870 -0.201 0.000 1.022 220 L CA -0.544 54.108 54.840 -0.313 0.000 0.854 220 L CB 0.666 42.449 42.059 -0.460 0.000 1.226 220 L HN 0.543 nan 8.230 nan 0.000 0.429 221 W N 7.282 128.261 121.300 -0.535 0.000 2.351 221 W HA 0.531 5.191 4.660 -0.000 0.000 0.320 221 W C -1.037 175.236 176.519 -0.409 0.000 0.947 221 W CA -1.190 55.745 57.345 -0.684 0.000 1.565 221 W CB 0.486 29.423 29.460 -0.872 0.000 1.409 221 W HN 0.634 nan 8.180 nan 0.000 0.399 222 K N 3.727 124.099 120.400 -0.047 0.000 2.651 222 K HA 0.475 4.795 4.320 -0.000 0.000 0.259 222 K C 0.114 176.476 176.600 -0.398 0.000 1.017 222 K CA -0.446 55.675 56.287 -0.277 0.000 0.897 222 K CB 0.820 33.090 32.500 -0.385 0.000 1.262 222 K HN 0.460 nan 8.250 nan 0.000 0.460 223 G N 3.314 111.783 108.800 -0.553 0.000 2.537 223 G HA2 0.243 4.203 3.960 -0.000 0.000 0.273 223 G HA3 0.243 4.203 3.960 -0.000 0.000 0.273 223 G C -1.772 172.855 174.900 -0.455 0.000 1.189 223 G CA -1.437 43.064 45.100 -0.999 0.000 0.881 223 G HN 0.393 nan 8.290 nan 0.000 0.535 224 P HA -0.201 nan 4.420 nan 0.000 0.216 224 P C 2.159 179.416 177.300 -0.071 0.000 1.154 224 P CA 2.145 65.119 63.100 -0.210 0.000 0.865 224 P CB 0.029 31.597 31.700 -0.221 0.000 0.789 225 S N -1.036 114.602 115.700 -0.104 0.000 2.547 225 S HA -0.105 4.364 4.470 -0.000 0.000 0.235 225 S C 1.598 176.119 174.600 -0.132 0.000 0.980 225 S CA 0.788 58.936 58.200 -0.086 0.000 0.941 225 S CB -0.987 62.180 63.200 -0.056 0.000 0.763 225 S HN 0.274 nan 8.310 nan 0.000 0.532 226 E N -0.504 119.581 120.200 -0.191 0.000 2.447 226 E HA 0.139 4.489 4.350 -0.000 0.000 0.195 226 E C -0.633 175.703 176.600 -0.440 0.000 1.028 226 E CA -0.005 56.197 56.400 -0.330 0.000 0.876 226 E CB 0.150 29.580 29.700 -0.451 0.000 0.885 226 E HN 0.640 nan 8.360 nan 0.000 0.500 227 Y N 0.997 121.119 120.300 -0.296 0.000 2.335 227 Y HA 0.227 4.777 4.550 -0.000 0.000 0.323 227 Y C -2.012 173.657 175.900 -0.385 0.000 1.224 227 Y CA -3.010 54.883 58.100 -0.345 0.000 1.241 227 Y CB 0.200 38.417 38.460 -0.405 0.000 1.235 227 Y HN -0.103 nan 8.280 nan 0.000 0.492 228 P HA 0.066 nan 4.420 nan 0.000 0.269 228 P C -0.259 176.657 177.300 -0.640 0.000 1.215 228 P CA 0.137 62.846 63.100 -0.650 0.000 0.780 228 P CB 0.719 31.687 31.700 -1.221 0.000 0.898 229 N N 0.944 119.371 118.700 -0.455 0.000 2.205 229 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 229 N C 1.219 176.679 175.510 -0.083 0.000 1.015 229 N CA 1.176 54.109 53.050 -0.195 0.000 0.862 229 N CB -0.271 38.185 38.487 -0.052 0.000 0.986 229 N HN 0.661 nan 8.380 nan 0.000 0.429 230 W N 0.087 121.408 121.300 0.036 0.000 3.003 230 W HA 0.253 4.913 4.660 -0.000 0.000 0.257 230 W C 0.033 176.593 176.519 0.068 0.000 1.308 230 W CA -0.445 56.929 57.345 0.048 0.000 1.529 230 W CB -0.492 28.994 29.460 0.043 0.000 1.115 230 W HN -0.098 nan 8.180 nan 0.000 0.659 231 D N 2.396 122.686 120.400 -0.183 0.000 2.350 231 D HA -0.093 4.547 4.640 -0.000 0.000 0.249 231 D C 1.660 177.923 176.300 -0.061 0.000 1.119 231 D CA -0.270 53.666 54.000 -0.107 0.000 0.886 231 D CB 0.746 41.296 40.800 -0.417 0.000 1.195 231 D HN 0.239 nan 8.370 nan 0.000 0.437 232 W N 4.595 125.888 121.300 -0.012 0.000 2.364 232 W HA -0.132 4.528 4.660 -0.000 0.000 0.281 232 W C 1.193 177.629 176.519 -0.137 0.000 1.219 232 W CA -0.045 57.275 57.345 -0.041 0.000 1.220 232 W CB -0.662 28.790 29.460 -0.014 0.000 1.127 232 W HN 0.384 nan 8.180 nan 0.000 0.556 233 R N 1.106 121.007 120.500 -0.998 0.000 2.189 233 R HA -0.115 4.225 4.340 -0.000 0.000 0.223 233 R C 2.254 178.145 176.300 -0.681 0.000 1.092 233 R CA 1.343 56.687 56.100 -1.260 0.000 0.989 233 R CB -0.781 28.222 30.300 -2.162 0.000 0.876 233 R HN 0.194 nan 8.270 nan 0.000 0.457 234 N N 0.022 118.479 118.700 -0.405 0.000 2.289 234 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 234 N C 0.607 176.043 175.510 -0.124 0.000 1.016 234 N CA 1.760 54.695 53.050 -0.192 0.000 0.872 234 N CB 0.238 38.631 38.487 -0.157 0.000 0.973 234 N HN 0.306 nan 8.380 nan 0.000 0.433 235 T N -3.089 111.411 114.554 -0.090 0.000 3.085 235 T HA 0.559 4.909 4.350 -0.000 0.000 0.264 235 T C 0.486 175.200 174.700 0.022 0.000 1.019 235 T CA -0.423 61.671 62.100 -0.010 0.000 0.910 235 T CB 0.505 69.394 68.868 0.035 0.000 1.059 235 T HN 0.242 nan 8.240 nan 0.000 0.542 236 A N 2.005 124.811 122.820 -0.024 0.000 2.246 236 A HA 0.769 5.089 4.320 -0.000 0.000 0.291 236 A C 0.726 178.338 177.584 0.047 0.000 1.103 236 A CA -0.449 51.631 52.037 0.072 0.000 0.844 236 A CB 0.503 19.566 19.000 0.105 0.000 1.136 236 A HN 0.630 nan 8.150 nan 0.000 0.500 237 S N -1.405 114.382 115.700 0.145 0.000 2.645 237 S HA 0.223 4.693 4.470 -0.000 0.000 0.266 237 S C 0.406 175.147 174.600 0.234 0.000 1.258 237 S CA -0.241 58.086 58.200 0.212 0.000 0.990 237 S CB 0.116 63.459 63.200 0.239 0.000 0.967 237 S HN 0.679 nan 8.310 nan 0.000 0.556 238 W N 0.742 122.133 121.300 0.152 0.000 2.358 238 W HA -0.050 4.610 4.660 -0.000 0.000 0.303 238 W C 2.832 179.483 176.519 0.221 0.000 1.208 238 W CA 1.200 58.656 57.345 0.185 0.000 1.274 238 W CB -0.675 28.914 29.460 0.215 0.000 1.138 238 W HN 0.764 nan 8.180 nan 0.000 0.515 239 Q N -0.053 120.032 119.800 0.475 0.000 2.061 239 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 239 Q C 2.106 178.392 176.000 0.478 0.000 0.984 239 Q CA 1.993 58.075 55.803 0.466 0.000 0.846 239 Q CB -0.542 28.488 28.738 0.487 0.000 0.902 239 Q HN 0.494 nan 8.270 nan 0.000 0.421 240 Q N 0.023 120.108 119.800 0.475 0.000 2.119 240 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 240 Q C 2.070 178.271 176.000 0.335 0.000 0.972 240 Q CA 0.929 57.029 55.803 0.495 0.000 0.847 240 Q CB -0.040 29.033 28.738 0.558 0.000 0.903 240 Q HN 0.405 nan 8.270 nan 0.000 0.433 241 I N 1.133 121.801 120.570 0.164 0.000 2.202 241 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 241 I C 2.425 178.620 176.117 0.131 0.000 1.091 241 I CA 1.154 62.445 61.300 -0.015 0.000 1.368 241 I CB -0.405 37.483 38.000 -0.186 0.000 1.058 241 I HN 0.281 nan 8.210 nan 0.000 0.410 242 I N -0.729 119.965 120.570 0.207 0.000 2.439 242 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 242 I C 2.505 178.758 176.117 0.227 0.000 1.139 242 I CA 1.339 62.788 61.300 0.248 0.000 1.438 242 I CB -0.455 37.726 38.000 0.301 0.000 1.085 242 I HN 0.059 nan 8.210 nan 0.000 0.427 243 K N 2.053 122.520 120.400 0.111 0.000 2.026 243 K HA -0.272 4.048 4.320 -0.000 0.000 0.208 243 K C 1.731 178.280 176.600 -0.085 0.000 1.048 243 K CA 2.348 58.553 56.287 -0.137 0.000 0.929 243 K CB -0.636 31.494 32.500 -0.617 0.000 0.713 243 K HN 0.517 nan 8.250 nan 0.000 0.439 244 D N -1.029 119.404 120.400 0.055 0.000 2.104 244 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 244 D C 1.733 178.094 176.300 0.101 0.000 0.994 244 D CA 1.606 55.678 54.000 0.121 0.000 0.830 244 D CB -0.309 40.701 40.800 0.350 0.000 0.959 244 D HN 0.445 nan 8.370 nan 0.000 0.452 245 W N 0.745 122.048 121.300 0.006 0.000 2.354 245 W HA -0.178 4.482 4.660 -0.000 0.000 0.315 245 W C 2.737 179.233 176.519 -0.038 0.000 1.206 245 W CA 2.285 59.623 57.345 -0.011 0.000 1.290 245 W CB -0.894 28.566 29.460 -0.000 0.000 1.152 245 W HN -0.005 nan 8.180 nan 0.000 0.489 246 S N 0.150 115.944 115.700 0.156 0.000 2.383 246 S HA -0.237 4.233 4.470 -0.000 0.000 0.229 246 S C 1.560 176.001 174.600 -0.266 0.000 1.030 246 S CA 2.068 60.232 58.200 -0.060 0.000 1.002 246 S CB -0.705 62.562 63.200 0.111 0.000 0.829 246 S HN 0.286 nan 8.310 nan 0.000 0.467 247 D N 0.903 121.176 120.400 -0.213 0.000 2.178 247 D HA -0.042 4.598 4.640 -0.000 0.000 0.201 247 D C 2.301 178.457 176.300 -0.240 0.000 0.980 247 D CA 0.951 54.826 54.000 -0.209 0.000 0.842 247 D CB -0.185 40.518 40.800 -0.163 0.000 0.948 247 D HN 0.560 nan 8.370 nan 0.000 0.472 248 R N 0.318 120.631 120.500 -0.311 0.000 2.112 248 R HA 0.230 4.570 4.340 -0.000 0.000 0.216 248 R C 2.012 178.042 176.300 -0.450 0.000 1.080 248 R CA 0.872 56.776 56.100 -0.326 0.000 0.996 248 R CB -0.057 30.081 30.300 -0.270 0.000 0.902 248 R HN 0.042 nan 8.270 nan 0.000 0.449 249 A N 1.229 123.600 122.820 -0.749 0.000 2.132 249 A HA 0.037 4.357 4.320 -0.000 0.000 0.213 249 A C 0.411 177.711 177.584 -0.473 0.000 1.154 249 A CA 0.130 51.705 52.037 -0.770 0.000 0.753 249 A CB 0.205 18.272 19.000 -1.554 0.000 0.826 249 A HN 0.080 nan 8.150 nan 0.000 0.469 250 K N -1.543 118.620 120.400 -0.395 0.000 3.117 250 K HA -0.161 4.159 4.320 -0.000 0.000 0.269 250 K C -0.754 175.724 176.600 -0.203 0.000 1.098 250 K CA 0.838 56.977 56.287 -0.246 0.000 0.785 250 K CB -2.992 29.406 32.500 -0.171 0.000 1.242 250 K HN 0.532 nan 8.250 nan 0.000 0.491 251 c N -0.322 118.141 118.600 -0.228 0.000 2.626 251 c HA 0.443 5.013 4.570 -0.000 0.000 0.310 251 c C -2.086 172.005 174.090 0.002 0.000 1.191 251 c CA -1.633 54.631 56.329 -0.109 0.000 1.517 251 c CB 1.929 44.455 42.510 0.027 0.000 2.102 251 c HN 0.127 nan 8.230 nan 0.000 0.479 252 P HA 0.140 nan 4.420 nan 0.000 0.269 252 P C -0.854 176.517 177.300 0.119 0.000 1.211 252 P CA 0.189 63.294 63.100 0.008 0.000 0.781 252 P CB 0.465 32.108 31.700 -0.094 0.000 0.877 253 V N 3.335 123.329 119.914 0.134 0.000 2.789 253 V HA 0.447 4.567 4.120 -0.000 0.000 0.311 253 V C -0.944 175.211 176.094 0.101 0.000 1.073 253 V CA -0.970 61.413 62.300 0.137 0.000 0.921 253 V CB 1.004 33.014 31.823 0.311 0.000 1.009 253 V HN 0.224 nan 8.190 nan 0.000 0.426 254 F N 3.530 123.578 119.950 0.163 0.000 2.578 254 F HA 0.189 4.716 4.527 -0.000 0.000 0.376 254 F C 1.079 177.085 175.800 0.343 0.000 1.085 254 F CA 0.279 58.413 58.000 0.223 0.000 1.260 254 F CB 0.321 39.402 39.000 0.134 0.000 1.095 254 F HN 0.524 nan 8.300 nan 0.000 0.573 255 D N 3.952 124.653 120.400 0.502 0.000 2.545 255 D HA -0.004 4.636 4.640 -0.000 0.000 0.227 255 D C 0.774 177.215 176.300 0.236 0.000 1.150 255 D CA 0.355 54.557 54.000 0.336 0.000 1.046 255 D CB -0.486 40.446 40.800 0.219 0.000 1.098 255 D HN 0.366 nan 8.370 nan 0.000 0.502 256 F N 1.195 121.337 119.950 0.320 0.000 2.558 256 F HA 0.052 4.579 4.527 -0.000 0.000 0.298 256 F C 2.320 178.144 175.800 0.040 0.000 1.119 256 F CA 0.459 58.592 58.000 0.223 0.000 1.451 256 F CB 0.131 39.351 39.000 0.367 0.000 1.091 256 F HN 0.410 nan 8.300 nan 0.000 0.563 257 A N -0.055 122.936 122.820 0.284 0.000 1.873 257 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 257 A C 2.076 179.609 177.584 -0.085 0.000 1.186 257 A CA 1.583 53.716 52.037 0.159 0.000 0.616 257 A CB -1.027 18.158 19.000 0.309 0.000 0.823 257 A HN 0.333 nan 8.150 nan 0.000 0.442 258 L N -0.322 120.840 121.223 -0.103 0.000 2.083 258 L HA -0.097 4.242 4.340 -0.000 0.000 0.209 258 L C 2.233 178.776 176.870 -0.544 0.000 1.083 258 L CA 2.688 57.375 54.840 -0.256 0.000 0.752 258 L CB -0.482 41.474 42.059 -0.172 0.000 0.899 258 L HN 0.334 nan 8.230 nan 0.000 0.433 259 K N -0.039 119.951 120.400 -0.682 0.000 2.057 259 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 259 K C 2.167 178.153 176.600 -1.024 0.000 1.049 259 K CA 1.632 57.320 56.287 -0.997 0.000 0.931 259 K CB -0.486 31.287 32.500 -1.213 0.000 0.714 259 K HN 0.424 nan 8.250 nan 0.000 0.440 260 E N 0.534 120.229 120.200 -0.842 0.000 2.077 260 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 260 E C 1.779 178.070 176.600 -0.515 0.000 0.989 260 E CA 1.042 56.974 56.400 -0.780 0.000 0.800 260 E CB 0.041 29.167 29.700 -0.957 0.000 0.746 260 E HN 0.171 nan 8.360 nan 0.000 0.452 261 R N -0.165 120.094 120.500 -0.402 0.000 2.092 261 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 261 R C 2.464 178.642 176.300 -0.203 0.000 1.119 261 R CA 0.935 56.918 56.100 -0.196 0.000 0.970 261 R CB -0.585 29.675 30.300 -0.067 0.000 0.864 261 R HN 0.352 nan 8.270 nan 0.000 0.440 262 M N 0.489 119.773 119.600 -0.525 0.000 2.175 262 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 262 M C 1.994 178.085 176.300 -0.349 0.000 1.063 262 M CA 1.495 56.443 55.300 -0.586 0.000 1.119 262 M CB -0.131 31.869 32.600 -0.999 0.000 1.377 262 M HN -0.021 nan 8.290 nan 0.000 0.415 263 Q N -0.016 119.471 119.800 -0.520 0.000 2.123 263 Q HA -0.004 4.336 4.340 -0.000 0.000 0.196 263 Q C 1.117 177.023 176.000 -0.157 0.000 0.958 263 Q CA 1.403 56.938 55.803 -0.447 0.000 0.841 263 Q CB -0.361 27.808 28.738 -0.950 0.000 0.915 263 Q HN 0.663 nan 8.270 nan 0.000 0.455 264 N N -0.499 118.133 118.700 -0.114 0.000 2.348 264 N HA 0.122 4.862 4.740 -0.000 0.000 0.183 264 N C 0.744 176.263 175.510 0.015 0.000 1.094 264 N CA 0.278 53.331 53.050 0.005 0.000 0.885 264 N CB 0.729 39.249 38.487 0.056 0.000 1.065 264 N HN 0.068 nan 8.380 nan 0.000 0.472 265 G N 0.180 108.990 108.800 0.017 0.000 2.671 265 G HA2 0.442 4.402 3.960 -0.000 0.000 0.275 265 G HA3 0.442 4.402 3.960 -0.000 0.000 0.275 265 G C -0.264 174.664 174.900 0.046 0.000 1.368 265 G CA -0.406 44.719 45.100 0.042 0.000 1.044 265 G HN 0.166 nan 8.290 nan 0.000 0.543 266 S N -1.574 114.121 115.700 -0.008 0.000 2.745 266 S HA 0.343 4.813 4.470 -0.000 0.000 0.292 266 S C 1.485 175.890 174.600 -0.326 0.000 1.133 266 S CA -0.502 57.631 58.200 -0.112 0.000 0.998 266 S CB 1.521 64.647 63.200 -0.123 0.000 1.087 266 S HN 0.555 nan 8.310 nan 0.000 0.551 267 I N 0.842 121.041 120.570 -0.619 0.000 2.248 267 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 267 I C 2.511 178.049 176.117 -0.965 0.000 1.107 267 I CA 1.845 62.305 61.300 -1.400 0.000 1.373 267 I CB -0.688 36.611 38.000 -1.168 0.000 1.055 267 I HN 0.875 nan 8.210 nan 0.000 0.418 268 A N -0.060 122.460 122.820 -0.499 0.000 1.978 268 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 268 A C 1.829 179.220 177.584 -0.322 0.000 1.170 268 A CA 2.013 53.849 52.037 -0.336 0.000 0.636 268 A CB -0.631 18.250 19.000 -0.198 0.000 0.810 268 A HN 0.502 nan 8.150 nan 0.000 0.448 269 D N -1.301 118.968 120.400 -0.220 0.000 2.348 269 D HA -0.112 4.528 4.640 -0.000 0.000 0.216 269 D C 1.130 177.405 176.300 -0.040 0.000 0.970 269 D CA 0.391 54.355 54.000 -0.059 0.000 0.889 269 D CB -0.293 40.563 40.800 0.093 0.000 0.912 269 D HN 0.681 nan 8.370 nan 0.000 0.524 270 W N 2.233 123.306 121.300 -0.378 0.000 2.387 270 W HA -0.113 4.547 4.660 -0.000 0.000 0.272 270 W C 1.996 178.212 176.519 -0.505 0.000 1.224 270 W CA 0.376 57.457 57.345 -0.440 0.000 1.210 270 W CB -0.610 28.488 29.460 -0.602 0.000 1.125 270 W HN 0.214 nan 8.180 nan 0.000 0.572 271 K N -0.417 119.636 120.400 -0.579 0.000 2.574 271 K HA -0.135 4.185 4.320 -0.000 0.000 0.193 271 K C 0.588 176.788 176.600 -0.668 0.000 1.035 271 K CA 1.466 57.106 56.287 -1.078 0.000 0.982 271 K CB -0.800 30.491 32.500 -2.015 0.000 0.795 271 K HN 0.231 nan 8.250 nan 0.000 0.491 272 H N 0.259 119.239 119.070 -0.150 0.000 2.517 272 H HA 0.218 4.774 4.556 -0.000 0.000 0.282 272 H C 0.856 176.204 175.328 0.034 0.000 1.023 272 H CA -0.374 55.647 56.048 -0.045 0.000 1.169 272 H CB 0.719 30.461 29.762 -0.033 0.000 1.454 272 H HN 0.356 nan 8.280 nan 0.000 0.556 273 G N 0.066 108.936 108.800 0.116 0.000 2.580 273 G HA2 0.117 4.077 3.960 -0.000 0.000 0.278 273 G HA3 0.117 4.077 3.960 -0.000 0.000 0.278 273 G C 0.909 175.942 174.900 0.222 0.000 1.212 273 G CA -0.514 44.668 45.100 0.137 0.000 0.939 273 G HN 0.245 nan 8.290 nan 0.000 0.513 274 L N 0.765 122.140 121.223 0.253 0.000 2.042 274 L HA -0.157 4.182 4.340 -0.000 0.000 0.210 274 L C 2.618 179.668 176.870 0.300 0.000 1.076 274 L CA 2.376 57.407 54.840 0.318 0.000 0.749 274 L CB -0.587 41.661 42.059 0.315 0.000 0.893 274 L HN 0.757 nan 8.230 nan 0.000 0.432 275 N N -0.624 118.229 118.700 0.255 0.000 2.520 275 N HA -0.093 4.647 4.740 -0.000 0.000 0.185 275 N C 1.487 177.167 175.510 0.284 0.000 1.068 275 N CA 1.281 54.474 53.050 0.238 0.000 0.911 275 N CB -0.555 38.037 38.487 0.175 0.000 0.961 275 N HN 0.432 nan 8.380 nan 0.000 0.446 276 G N -0.239 108.766 108.800 0.341 0.000 3.126 276 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.224 276 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.224 276 G C 0.232 175.349 174.900 0.362 0.000 1.142 276 G CA -0.564 44.818 45.100 0.469 0.000 0.759 276 G HN 0.410 nan 8.290 nan 0.000 0.550 277 N N 1.465 120.332 118.700 0.278 0.000 2.454 277 N HA 0.124 4.864 4.740 -0.000 0.000 0.260 277 N C -0.704 174.908 175.510 0.169 0.000 1.218 277 N CA -1.035 52.139 53.050 0.207 0.000 0.904 277 N CB 1.676 40.319 38.487 0.260 0.000 1.065 277 N HN -0.098 nan 8.380 nan 0.000 0.462 278 P HA -0.120 nan 4.420 nan 0.000 0.222 278 P C -0.383 176.956 177.300 0.065 0.000 1.147 278 P CA 1.002 64.148 63.100 0.077 0.000 0.790 278 P CB 0.117 31.843 31.700 0.043 0.000 0.780 279 D N 0.729 121.158 120.400 0.049 0.000 2.295 279 D HA 0.088 4.727 4.640 -0.000 0.000 0.248 279 D C -1.346 175.084 176.300 0.217 0.000 1.154 279 D CA -2.552 51.509 54.000 0.102 0.000 0.857 279 D CB 1.360 42.175 40.800 0.025 0.000 1.117 279 D HN -0.009 nan 8.370 nan 0.000 0.468 280 P HA -0.116 nan 4.420 nan 0.000 0.220 280 P C 1.072 178.502 177.300 0.218 0.000 1.148 280 P CA 0.592 63.804 63.100 0.186 0.000 0.803 280 P CB 0.431 32.215 31.700 0.140 0.000 0.782 281 R N -1.483 119.161 120.500 0.240 0.000 2.189 281 R HA -0.090 4.250 4.340 -0.000 0.000 0.223 281 R C 2.030 178.450 176.300 0.201 0.000 1.092 281 R CA 0.978 57.193 56.100 0.191 0.000 0.989 281 R CB -1.011 29.393 30.300 0.174 0.000 0.876 281 R HN 0.370 nan 8.270 nan 0.000 0.457 282 W N 0.715 122.066 121.300 0.086 0.000 2.539 282 W HA 0.172 4.832 4.660 -0.000 0.000 0.299 282 W C 2.460 179.058 176.519 0.132 0.000 1.165 282 W CA 0.279 57.689 57.345 0.109 0.000 1.400 282 W CB -0.524 29.005 29.460 0.114 0.000 1.123 282 W HN -0.056 nan 8.180 nan 0.000 0.533 283 R N 0.808 121.532 120.500 0.373 0.000 2.083 283 R HA -0.195 4.145 4.340 -0.000 0.000 0.237 283 R C 2.050 178.490 176.300 0.233 0.000 1.137 283 R CA 2.014 58.281 56.100 0.279 0.000 0.951 283 R CB -0.881 29.558 30.300 0.231 0.000 0.851 283 R HN 0.407 nan 8.270 nan 0.000 0.434 284 E N 1.074 121.412 120.200 0.231 0.000 2.267 284 E HA -0.125 4.224 4.350 -0.000 0.000 0.197 284 E C 1.519 178.290 176.600 0.284 0.000 0.998 284 E CA 1.546 58.108 56.400 0.269 0.000 0.830 284 E CB -0.080 29.814 29.700 0.324 0.000 0.751 284 E HN 0.363 nan 8.360 nan 0.000 0.491 285 V N -1.996 118.030 119.914 0.187 0.000 3.647 285 V HA 0.457 4.577 4.120 -0.000 0.000 0.279 285 V C 0.897 177.088 176.094 0.162 0.000 1.314 285 V CA -0.078 62.309 62.300 0.146 0.000 1.125 285 V CB -0.160 31.688 31.823 0.042 0.000 0.907 285 V HN 0.322 nan 8.190 nan 0.000 0.434 286 A N 0.542 123.475 122.820 0.189 0.000 2.366 286 A HA 0.660 4.980 4.320 -0.000 0.000 0.272 286 A C -0.167 177.526 177.584 0.182 0.000 1.135 286 A CA -0.158 51.995 52.037 0.194 0.000 0.804 286 A CB 0.794 19.918 19.000 0.208 0.000 1.064 286 A HN 0.576 nan 8.150 nan 0.000 0.499 287 V N 3.957 123.973 119.914 0.170 0.000 2.284 287 V HA 0.314 4.434 4.120 -0.000 0.000 0.274 287 V C 0.640 176.925 176.094 0.318 0.000 1.023 287 V CA -0.120 62.272 62.300 0.154 0.000 0.808 287 V CB 0.841 32.605 31.823 -0.099 0.000 1.035 287 V HN 1.068 nan 8.190 nan 0.000 0.445 288 T N 2.450 117.171 114.554 0.278 0.000 2.904 288 T HA 0.788 5.138 4.350 -0.000 0.000 0.290 288 T C -0.591 174.335 174.700 0.377 0.000 1.018 288 T CA -0.305 61.942 62.100 0.246 0.000 1.075 288 T CB 1.361 70.268 68.868 0.065 0.000 0.986 288 T HN 0.701 nan 8.240 nan 0.000 0.523 289 F N -0.456 119.481 119.950 -0.021 0.000 2.741 289 F HA 0.691 5.218 4.527 -0.000 0.000 0.313 289 F C -0.337 175.300 175.800 -0.272 0.000 1.153 289 F CA -1.443 56.529 58.000 -0.047 0.000 0.931 289 F CB 0.488 39.516 39.000 0.047 0.000 1.335 289 F HN 0.299 nan 8.300 nan 0.000 0.460 290 V N -0.518 119.188 119.914 -0.346 0.000 2.627 290 V HA 0.283 4.403 4.120 -0.000 0.000 0.239 290 V C -0.324 175.532 176.094 -0.397 0.000 1.077 290 V CA 1.136 63.082 62.300 -0.591 0.000 1.103 290 V CB -0.054 31.263 31.823 -0.843 0.000 0.802 290 V HN 0.810 nan 8.190 nan 0.000 0.482 291 D N -1.182 119.207 120.400 -0.020 0.000 2.599 291 D HA 0.372 5.012 4.640 -0.000 0.000 0.252 291 D C -1.130 175.088 176.300 -0.136 0.000 1.232 291 D CA -0.346 53.636 54.000 -0.031 0.000 0.819 291 D CB 2.293 43.061 40.800 -0.054 0.000 1.401 291 D HN 0.480 nan 8.370 nan 0.000 0.429 292 N N -1.456 117.032 118.700 -0.354 0.000 3.229 292 N HA 0.159 4.899 4.740 -0.000 0.000 0.315 292 N C 1.111 176.296 175.510 -0.541 0.000 1.520 292 N CA -0.524 52.246 53.050 -0.468 0.000 0.769 292 N CB 1.324 39.665 38.487 -0.243 0.000 1.766 292 N HN 0.386 nan 8.380 nan 0.000 0.618 293 H N -1.271 117.706 119.070 -0.155 0.000 2.489 293 H HA -0.088 4.468 4.556 -0.000 0.000 0.295 293 H C 0.353 175.688 175.328 0.012 0.000 1.082 293 H CA 1.350 57.486 56.048 0.146 0.000 1.295 293 H CB -0.132 29.844 29.762 0.356 0.000 1.380 293 H HN 0.613 nan 8.280 nan 0.000 0.548 294 D N 1.134 121.165 120.400 -0.615 0.000 2.468 294 D HA -0.092 4.548 4.640 -0.000 0.000 0.243 294 D C 2.220 178.395 176.300 -0.209 0.000 0.994 294 D CA 2.285 56.015 54.000 -0.451 0.000 0.932 294 D CB 0.141 40.725 40.800 -0.361 0.000 1.078 294 D HN 0.489 nan 8.370 nan 0.000 0.473 295 T N -1.402 113.108 114.554 -0.074 0.000 2.904 295 T HA 0.132 4.482 4.350 -0.000 0.000 0.267 295 T C 1.243 175.917 174.700 -0.044 0.000 1.059 295 T CA 0.905 63.047 62.100 0.071 0.000 1.137 295 T CB -0.247 68.671 68.868 0.083 0.000 0.879 295 T HN 0.075 nan 8.240 nan 0.000 0.467 296 G N -0.655 108.056 108.800 -0.148 0.000 2.557 296 G HA2 0.553 4.513 3.960 -0.000 0.000 0.302 296 G HA3 0.553 4.513 3.960 -0.000 0.000 0.302 296 G C -1.049 173.844 174.900 -0.010 0.000 1.311 296 G CA -1.064 43.990 45.100 -0.077 0.000 1.030 296 G HN 0.329 nan 8.290 nan 0.000 0.509 297 Y N -0.781 119.705 120.300 0.310 0.000 2.295 297 Y HA 0.510 5.060 4.550 -0.000 0.000 0.331 297 Y C 0.941 177.217 175.900 0.627 0.000 1.311 297 Y CA 0.298 58.652 58.100 0.423 0.000 1.430 297 Y CB 1.581 40.201 38.460 0.267 0.000 1.339 297 Y HN 0.363 nan 8.280 nan 0.000 0.552 298 S N 1.115 117.247 115.700 0.720 0.000 2.536 298 S HA 0.411 4.881 4.470 -0.000 0.000 0.271 298 S C -2.885 171.939 174.600 0.373 0.000 1.134 298 S CA -1.384 57.109 58.200 0.489 0.000 0.897 298 S CB 2.031 65.526 63.200 0.492 0.000 1.094 298 S HN 0.248 nan 8.310 nan 0.000 0.473 299 P HA 0.412 nan 4.420 nan 0.000 0.269 299 P C 0.795 178.170 177.300 0.125 0.000 1.217 299 P CA 0.931 64.103 63.100 0.120 0.000 0.783 299 P CB 0.168 31.816 31.700 -0.087 0.000 0.898 300 G N 1.006 109.897 108.800 0.152 0.000 2.484 300 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.225 300 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.225 300 G C -0.375 174.624 174.900 0.165 0.000 1.250 300 G CA -0.099 45.087 45.100 0.144 0.000 0.926 300 G HN 0.724 nan 8.290 nan 0.000 0.581 301 Q N 1.307 121.199 119.800 0.155 0.000 2.586 301 Q HA 0.272 4.612 4.340 -0.000 0.000 0.312 301 Q C 0.927 177.049 176.000 0.203 0.000 1.165 301 Q CA 1.740 57.632 55.803 0.149 0.000 1.065 301 Q CB -1.571 27.236 28.738 0.115 0.000 1.054 301 Q HN 0.883 nan 8.270 nan 0.000 0.408 302 N N 2.935 121.751 118.700 0.193 0.000 2.741 302 N HA -0.263 4.477 4.740 -0.000 0.000 0.251 302 N C 0.513 176.244 175.510 0.369 0.000 1.112 302 N CA 0.150 53.347 53.050 0.245 0.000 0.750 302 N CB -1.378 37.249 38.487 0.233 0.000 1.119 302 N HN 0.986 nan 8.380 nan 0.000 0.561 303 G N -1.009 108.000 108.800 0.348 0.000 2.187 303 G HA2 0.002 3.961 3.960 -0.000 0.000 0.261 303 G HA3 0.002 3.961 3.960 -0.000 0.000 0.261 303 G C 1.007 176.253 174.900 0.577 0.000 1.000 303 G CA 0.951 46.351 45.100 0.499 0.000 0.718 303 G HN 1.544 nan 8.290 nan 0.000 0.519 304 G N -1.136 107.914 108.800 0.417 0.000 2.512 304 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 304 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 304 G C 0.715 175.562 174.900 -0.088 0.000 1.199 304 G CA 1.066 46.367 45.100 0.336 0.000 0.941 304 G HN 0.974 nan 8.290 nan 0.000 0.569 305 Q N 0.196 119.731 119.800 -0.441 0.000 2.165 305 Q HA 0.125 4.464 4.340 -0.000 0.000 0.197 305 Q C 1.093 176.352 176.000 -1.235 0.000 0.952 305 Q CA 1.034 56.271 55.803 -0.943 0.000 0.848 305 Q CB 0.015 28.030 28.738 -1.204 0.000 0.931 305 Q HN 1.208 nan 8.270 nan 0.000 0.470 306 H N -1.038 117.726 119.070 -0.509 0.000 2.394 306 H HA -0.180 4.376 4.556 -0.000 0.000 0.322 306 H C 0.026 175.209 175.328 -0.241 0.000 1.012 306 H CA 0.751 56.474 56.048 -0.542 0.000 1.084 306 H CB -1.937 27.118 29.762 -1.178 0.000 1.597 306 H HN 0.325 nan 8.280 nan 0.000 0.375 307 H N -1.152 117.883 119.070 -0.059 0.000 2.470 307 H HA 0.023 4.579 4.556 -0.000 0.000 0.289 307 H C 0.404 175.906 175.328 0.290 0.000 1.033 307 H CA 1.392 57.490 56.048 0.083 0.000 1.331 307 H CB 0.257 30.102 29.762 0.138 0.000 1.414 307 H HN 0.745 nan 8.280 nan 0.000 0.545 308 W N 0.816 122.215 121.300 0.164 0.000 0.885 308 W HA 0.543 5.203 4.660 -0.000 0.000 0.320 308 W C -0.855 175.662 176.519 -0.003 0.000 0.884 308 W CA -1.570 55.838 57.345 0.105 0.000 1.281 308 W CB -0.377 29.169 29.460 0.142 0.000 1.324 308 W HN -0.043 nan 8.180 nan 0.000 0.495 309 A N 1.998 124.906 122.820 0.148 0.000 2.401 309 A HA 0.501 4.820 4.320 -0.000 0.000 0.259 309 A C -0.555 177.043 177.584 0.023 0.000 1.103 309 A CA -0.335 51.740 52.037 0.063 0.000 0.789 309 A CB 0.630 19.678 19.000 0.080 0.000 1.035 309 A HN 0.482 nan 8.150 nan 0.000 0.491 310 L N 2.605 123.811 121.223 -0.028 0.000 2.319 310 L HA 0.285 4.625 4.340 -0.000 0.000 0.280 310 L C 0.842 177.722 176.870 0.018 0.000 1.099 310 L CA -0.017 54.773 54.840 -0.084 0.000 0.828 310 L CB 0.784 42.730 42.059 -0.187 0.000 1.150 310 L HN 0.829 nan 8.230 nan 0.000 0.442 311 Q N 2.086 121.891 119.800 0.009 0.000 2.361 311 Q HA 0.043 4.383 4.340 -0.000 0.000 0.276 311 Q C 0.499 176.504 176.000 0.009 0.000 1.022 311 Q CA 0.165 55.982 55.803 0.023 0.000 0.898 311 Q CB 0.446 29.193 28.738 0.016 0.000 1.246 311 Q HN 0.772 nan 8.270 nan 0.000 0.410 312 D N 3.380 123.780 120.400 0.001 0.000 2.228 312 D HA -0.184 4.456 4.640 -0.000 0.000 0.203 312 D C 1.489 177.802 176.300 0.023 0.000 0.988 312 D CA 1.578 55.587 54.000 0.015 0.000 0.864 312 D CB -0.618 40.180 40.800 -0.003 0.000 0.928 312 D HN 0.761 nan 8.370 nan 0.000 0.469 313 G N -0.253 108.552 108.800 0.008 0.000 2.559 313 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.216 313 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.216 313 G C 1.552 176.458 174.900 0.010 0.000 1.126 313 G CA 0.225 45.328 45.100 0.006 0.000 0.778 313 G HN 0.385 nan 8.290 nan 0.000 0.543 314 L N -0.041 121.193 121.223 0.019 0.000 2.766 314 L HA 0.375 4.715 4.340 -0.000 0.000 0.242 314 L C 2.142 179.024 176.870 0.021 0.000 1.136 314 L CA -0.247 54.628 54.840 0.059 0.000 0.933 314 L CB 0.194 42.324 42.059 0.118 0.000 1.241 314 L HN 0.130 nan 8.230 nan 0.000 0.522 315 I N -0.011 120.526 120.570 -0.055 0.000 2.127 315 I HA -0.332 3.838 4.170 -0.000 0.000 0.241 315 I C 2.634 178.711 176.117 -0.068 0.000 1.075 315 I CA 1.552 62.747 61.300 -0.174 0.000 1.334 315 I CB -0.260 37.529 38.000 -0.352 0.000 1.040 315 I HN 0.276 nan 8.210 nan 0.000 0.405 316 R N 0.342 120.811 120.500 -0.052 0.000 2.091 316 R HA -0.221 4.119 4.340 -0.000 0.000 0.238 316 R C 2.381 178.814 176.300 0.221 0.000 1.136 316 R CA 1.606 57.685 56.100 -0.035 0.000 0.959 316 R CB -0.341 29.712 30.300 -0.410 0.000 0.856 316 R HN 0.391 nan 8.270 nan 0.000 0.437 317 Q N 0.089 119.989 119.800 0.167 0.000 2.061 317 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 317 Q C 2.091 178.342 176.000 0.419 0.000 0.984 317 Q CA 2.000 57.962 55.803 0.264 0.000 0.846 317 Q CB -0.313 28.534 28.738 0.182 0.000 0.902 317 Q HN 0.372 nan 8.270 nan 0.000 0.421 318 A N -0.493 122.495 122.820 0.279 0.000 1.877 318 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 318 A C 1.782 179.326 177.584 -0.067 0.000 1.186 318 A CA 1.391 53.401 52.037 -0.045 0.000 0.620 318 A CB -0.888 17.870 19.000 -0.404 0.000 0.822 318 A HN 0.404 nan 8.150 nan 0.000 0.443 319 Y N -0.081 120.267 120.300 0.080 0.000 2.200 319 Y HA -0.066 4.484 4.550 -0.000 0.000 0.290 319 Y C 2.946 178.913 175.900 0.111 0.000 1.137 319 Y CA 0.735 58.886 58.100 0.085 0.000 1.163 319 Y CB -0.684 37.857 38.460 0.135 0.000 0.988 319 Y HN 0.329 nan 8.280 nan 0.000 0.518 320 A N -0.745 122.300 122.820 0.376 0.000 1.908 320 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 320 A C 2.091 179.803 177.584 0.215 0.000 1.181 320 A CA 1.969 54.160 52.037 0.257 0.000 0.627 320 A CB -1.341 17.858 19.000 0.331 0.000 0.818 320 A HN 0.567 nan 8.150 nan 0.000 0.445 321 Y N 1.141 121.548 120.300 0.179 0.000 2.133 321 Y HA -0.155 4.394 4.550 -0.000 0.000 0.287 321 Y C 2.162 178.119 175.900 0.094 0.000 1.134 321 Y CA 1.741 59.945 58.100 0.173 0.000 1.133 321 Y CB -0.428 38.222 38.460 0.316 0.000 0.987 321 Y HN 0.414 nan 8.280 nan 0.000 0.502 322 I N -1.779 118.712 120.570 -0.131 0.000 2.493 322 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 322 I C 1.762 177.812 176.117 -0.112 0.000 1.160 322 I CA 1.519 62.697 61.300 -0.203 0.000 1.445 322 I CB -0.590 37.344 38.000 -0.109 0.000 1.086 322 I HN 0.208 nan 8.210 nan 0.000 0.433 323 L N 1.289 122.493 121.223 -0.031 0.000 2.240 323 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 323 L C 2.464 179.294 176.870 -0.068 0.000 1.106 323 L CA 1.566 56.391 54.840 -0.025 0.000 0.793 323 L CB -0.543 41.511 42.059 -0.007 0.000 0.927 323 L HN 0.514 nan 8.230 nan 0.000 0.446 324 T N -4.623 109.877 114.554 -0.090 0.000 3.069 324 T HA 0.129 4.478 4.350 -0.000 0.000 0.252 324 T C 0.722 175.353 174.700 -0.114 0.000 1.053 324 T CA 0.050 62.104 62.100 -0.077 0.000 0.964 324 T CB 0.051 68.902 68.868 -0.028 0.000 1.005 324 T HN 0.235 nan 8.240 nan 0.000 0.532 325 S N 0.758 116.333 115.700 -0.207 0.000 2.726 325 S HA 0.790 5.260 4.470 -0.000 0.000 0.308 325 S C -3.089 171.443 174.600 -0.112 0.000 1.115 325 S CA -1.722 56.350 58.200 -0.213 0.000 0.965 325 S CB 1.417 64.313 63.200 -0.506 0.000 1.145 325 S HN 0.006 nan 8.310 nan 0.000 0.532 326 P HA 0.459 nan 4.420 nan 0.000 0.272 326 P C 0.767 178.095 177.300 0.047 0.000 1.248 326 P CA 1.116 64.232 63.100 0.026 0.000 0.799 326 P CB -0.428 31.316 31.700 0.072 0.000 0.997 327 G N -0.954 107.903 108.800 0.095 0.000 2.725 327 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.220 327 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.220 327 G C -1.049 173.912 174.900 0.102 0.000 1.357 327 G CA -0.533 44.644 45.100 0.127 0.000 0.866 327 G HN 0.607 nan 8.290 nan 0.000 0.548 328 T N 3.814 118.448 114.554 0.133 0.000 2.772 328 T HA 0.663 5.013 4.350 -0.000 0.000 0.288 328 T C -2.366 172.417 174.700 0.139 0.000 0.994 328 T CA -0.602 61.571 62.100 0.123 0.000 0.951 328 T CB 2.234 71.211 68.868 0.182 0.000 0.933 328 T HN 0.607 nan 8.240 nan 0.000 0.447 329 P HA 0.474 nan 4.420 nan 0.000 0.282 329 P C -1.050 176.397 177.300 0.245 0.000 1.249 329 P CA -0.561 62.640 63.100 0.169 0.000 0.806 329 P CB 1.017 32.791 31.700 0.124 0.000 0.984 330 V N 2.836 122.953 119.914 0.338 0.000 2.531 330 V HA 0.281 4.401 4.120 -0.000 0.000 0.301 330 V C 0.110 176.485 176.094 0.469 0.000 1.034 330 V CA -0.795 61.761 62.300 0.426 0.000 0.865 330 V CB 2.163 34.329 31.823 0.572 0.000 0.995 330 V HN 0.245 nan 8.190 nan 0.000 0.424 331 V N 4.693 124.873 119.914 0.445 0.000 2.394 331 V HA 0.334 4.453 4.120 -0.000 0.000 0.282 331 V C -0.561 175.764 176.094 0.386 0.000 1.031 331 V CA -0.758 61.824 62.300 0.471 0.000 0.881 331 V CB 1.466 33.506 31.823 0.362 0.000 0.982 331 V HN 0.749 nan 8.190 nan 0.000 0.451 332 Y N 4.573 125.096 120.300 0.372 0.000 2.377 332 Y HA 0.062 4.612 4.550 -0.000 0.000 0.330 332 Y C 0.975 176.939 175.900 0.107 0.000 1.108 332 Y CA -0.825 57.417 58.100 0.236 0.000 1.308 332 Y CB 0.561 39.241 38.460 0.367 0.000 1.216 332 Y HN 0.858 nan 8.280 nan 0.000 0.518 333 W N 5.213 126.246 121.300 -0.445 0.000 2.290 333 W HA -0.371 4.289 4.660 -0.000 0.000 0.328 333 W C 0.949 177.213 176.519 -0.425 0.000 1.272 333 W CA 2.803 59.939 57.345 -0.348 0.000 1.262 333 W CB -0.385 28.883 29.460 -0.319 0.000 1.151 333 W HN 0.774 nan 8.180 nan 0.000 0.473 334 D N -1.200 118.730 120.400 -0.783 0.000 2.133 334 D HA -0.236 4.404 4.640 -0.000 0.000 0.195 334 D C 2.145 177.917 176.300 -0.880 0.000 0.997 334 D CA 1.991 55.318 54.000 -1.122 0.000 0.840 334 D CB -0.654 39.057 40.800 -1.813 0.000 0.947 334 D HN 0.210 nan 8.370 nan 0.000 0.452 335 H N -0.884 118.050 119.070 -0.227 0.000 2.357 335 H HA -0.065 4.491 4.556 -0.000 0.000 0.301 335 H C 2.026 177.347 175.328 -0.013 0.000 1.082 335 H CA 1.079 57.267 56.048 0.233 0.000 1.342 335 H CB -0.321 29.600 29.762 0.265 0.000 1.389 335 H HN 0.195 nan 8.280 nan 0.000 0.511 336 M N 0.184 119.647 119.600 -0.228 0.000 2.064 336 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 336 M C 1.278 177.111 176.300 -0.778 0.000 1.073 336 M CA 1.789 56.733 55.300 -0.595 0.000 1.124 336 M CB -0.224 31.837 32.600 -0.900 0.000 1.326 336 M HN 0.108 nan 8.290 nan 0.000 0.410 337 Y N -1.188 118.797 120.300 -0.525 0.000 2.462 337 Y HA 0.203 4.753 4.550 -0.000 0.000 0.253 337 Y C 1.685 177.409 175.900 -0.294 0.000 1.095 337 Y CA -0.009 57.793 58.100 -0.497 0.000 1.283 337 Y CB -0.045 37.849 38.460 -0.944 0.000 1.138 337 Y HN 0.258 nan 8.280 nan 0.000 0.522 338 D N -1.672 118.599 120.400 -0.215 0.000 2.615 338 D HA -0.048 4.592 4.640 -0.000 0.000 0.259 338 D C 1.178 177.524 176.300 0.077 0.000 0.999 338 D CA 0.711 54.632 54.000 -0.133 0.000 0.938 338 D CB -0.151 40.395 40.800 -0.424 0.000 1.121 338 D HN 0.258 nan 8.370 nan 0.000 0.487 339 W N 1.095 122.425 121.300 0.051 0.000 3.256 339 W HA 0.362 5.022 4.660 -0.000 0.000 0.269 339 W C 1.187 177.595 176.519 -0.184 0.000 1.310 339 W CA 0.302 57.664 57.345 0.028 0.000 1.673 339 W CB -0.562 29.049 29.460 0.252 0.000 1.115 339 W HN 0.093 nan 8.180 nan 0.000 0.686 340 G N -0.068 108.749 108.800 0.027 0.000 2.137 340 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.237 340 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.237 340 G C 0.313 175.076 174.900 -0.228 0.000 1.002 340 G CA 0.385 45.407 45.100 -0.130 0.000 0.702 340 G HN 0.376 nan 8.290 nan 0.000 0.515 341 Y N 0.347 120.701 120.300 0.091 0.000 2.457 341 Y HA 0.323 4.873 4.550 -0.000 0.000 0.263 341 Y C 2.646 178.560 175.900 0.023 0.000 1.164 341 Y CA 0.592 58.746 58.100 0.090 0.000 1.274 341 Y CB -0.051 38.487 38.460 0.130 0.000 1.097 341 Y HN 0.244 nan 8.280 nan 0.000 0.523 342 G N 0.708 109.530 108.800 0.036 0.000 2.529 342 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 342 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 342 G C 1.301 176.175 174.900 -0.044 0.000 1.177 342 G CA 1.784 46.829 45.100 -0.092 0.000 0.773 342 G HN 0.263 nan 8.290 nan 0.000 0.573 343 D N -0.331 120.076 120.400 0.012 0.000 2.117 343 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 343 D C 1.982 178.307 176.300 0.042 0.000 0.987 343 D CA 0.664 54.675 54.000 0.019 0.000 0.829 343 D CB -0.408 40.410 40.800 0.029 0.000 0.961 343 D HN 0.310 nan 8.370 nan 0.000 0.460 344 F N 1.106 121.036 119.950 -0.033 0.000 2.102 344 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 344 F C 2.083 177.851 175.800 -0.053 0.000 1.105 344 F CA 1.122 59.112 58.000 -0.017 0.000 1.239 344 F CB -0.305 38.723 39.000 0.047 0.000 0.991 344 F HN -0.123 nan 8.300 nan 0.000 0.474 345 I N 0.306 120.784 120.570 -0.154 0.000 2.226 345 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 345 I C 2.528 178.464 176.117 -0.301 0.000 1.100 345 I CA 1.377 62.490 61.300 -0.313 0.000 1.374 345 I CB -0.528 37.297 38.000 -0.292 0.000 1.057 345 I HN 0.071 nan 8.210 nan 0.000 0.413 346 R N 0.619 120.984 120.500 -0.225 0.000 2.091 346 R HA -0.231 4.109 4.340 -0.000 0.000 0.238 346 R C 2.361 178.533 176.300 -0.213 0.000 1.136 346 R CA 1.751 57.722 56.100 -0.214 0.000 0.959 346 R CB -0.407 29.807 30.300 -0.144 0.000 0.856 346 R HN 0.532 nan 8.270 nan 0.000 0.437 347 Q N 0.481 120.153 119.800 -0.214 0.000 2.084 347 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 347 Q C 2.186 178.045 176.000 -0.235 0.000 0.978 347 Q CA 1.276 56.961 55.803 -0.198 0.000 0.844 347 Q CB -0.269 28.368 28.738 -0.168 0.000 0.898 347 Q HN 0.333 nan 8.270 nan 0.000 0.426 348 L N 0.372 121.393 121.223 -0.335 0.000 2.083 348 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 348 L C 2.363 179.109 176.870 -0.206 0.000 1.083 348 L CA 0.925 55.592 54.840 -0.289 0.000 0.752 348 L CB -0.346 41.482 42.059 -0.385 0.000 0.899 348 L HN 0.253 nan 8.230 nan 0.000 0.433 349 I N -0.541 119.892 120.570 -0.228 0.000 2.179 349 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 349 I C 2.612 178.626 176.117 -0.171 0.000 1.088 349 I CA 1.407 62.578 61.300 -0.216 0.000 1.357 349 I CB -0.224 37.583 38.000 -0.323 0.000 1.051 349 I HN 0.336 nan 8.210 nan 0.000 0.409 350 Q N -0.125 119.576 119.800 -0.165 0.000 2.084 350 Q HA -0.171 4.168 4.340 -0.000 0.000 0.202 350 Q C 2.381 178.322 176.000 -0.099 0.000 0.978 350 Q CA 1.492 57.221 55.803 -0.123 0.000 0.844 350 Q CB -0.202 28.470 28.738 -0.111 0.000 0.898 350 Q HN 0.357 nan 8.270 nan 0.000 0.426 351 V N 0.900 120.750 119.914 -0.107 0.000 2.295 351 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 351 V C 2.365 178.420 176.094 -0.065 0.000 1.049 351 V CA 2.039 64.292 62.300 -0.079 0.000 1.024 351 V CB -0.566 31.204 31.823 -0.089 0.000 0.648 351 V HN 0.336 nan 8.190 nan 0.000 0.447 352 R N -0.300 120.152 120.500 -0.079 0.000 2.083 352 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 352 R C 2.577 178.844 176.300 -0.056 0.000 1.137 352 R CA 1.532 57.594 56.100 -0.064 0.000 0.951 352 R CB -0.171 30.085 30.300 -0.073 0.000 0.851 352 R HN 0.323 nan 8.270 nan 0.000 0.434 353 R N 0.131 120.590 120.500 -0.069 0.000 2.073 353 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 353 R C 2.210 178.482 176.300 -0.046 0.000 1.134 353 R CA 1.464 57.528 56.100 -0.060 0.000 0.952 353 R CB -0.873 29.383 30.300 -0.073 0.000 0.850 353 R HN 0.342 nan 8.270 nan 0.000 0.433 354 A N 1.014 123.806 122.820 -0.045 0.000 1.933 354 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 354 A C 2.246 179.816 177.584 -0.023 0.000 1.175 354 A CA 1.839 53.856 52.037 -0.033 0.000 0.628 354 A CB -0.416 18.564 19.000 -0.033 0.000 0.814 354 A HN 0.358 nan 8.150 nan 0.000 0.444 355 A N -1.822 120.987 122.820 -0.019 0.000 2.123 355 A HA 0.402 4.722 4.320 -0.000 0.000 0.214 355 A C 1.796 179.374 177.584 -0.010 0.000 1.152 355 A CA 1.233 53.267 52.037 -0.007 0.000 0.728 355 A CB -0.880 18.124 19.000 0.006 0.000 0.814 355 A HN 1.944 nan 8.150 nan 0.000 0.464 356 G N -0.670 108.119 108.800 -0.019 0.000 2.225 356 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.264 356 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.264 356 G C 0.025 174.916 174.900 -0.015 0.000 1.060 356 G CA 0.124 45.213 45.100 -0.018 0.000 0.833 356 G HN 0.779 nan 8.290 nan 0.000 0.498 357 V N 2.060 121.963 119.914 -0.019 0.000 2.555 357 V HA 0.631 4.751 4.120 -0.000 0.000 0.286 357 V C 0.971 177.052 176.094 -0.021 0.000 1.044 357 V CA 0.268 62.559 62.300 -0.016 0.000 1.026 357 V CB 1.073 32.883 31.823 -0.021 0.000 0.981 357 V HN 0.797 nan 8.190 nan 0.000 0.480 358 R N 4.430 124.922 120.500 -0.014 0.000 2.905 358 R HA 0.738 5.078 4.340 -0.000 0.000 0.260 358 R C 0.864 177.165 176.300 0.001 0.000 1.086 358 R CA -0.131 55.955 56.100 -0.023 0.000 0.978 358 R CB 1.406 31.683 30.300 -0.039 0.000 1.215 358 R HN 0.504 nan 8.270 nan 0.000 0.480 359 A N 0.523 123.341 122.820 -0.004 0.000 1.948 359 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 359 A C 1.116 178.771 177.584 0.118 0.000 1.177 359 A CA 2.159 54.235 52.037 0.064 0.000 0.636 359 A CB -0.806 18.243 19.000 0.081 0.000 0.815 359 A HN 0.845 nan 8.150 nan 0.000 0.449 360 D N -0.962 119.507 120.400 0.115 0.000 2.368 360 D HA 0.156 4.796 4.640 -0.000 0.000 0.218 360 D C 0.146 176.500 176.300 0.090 0.000 1.112 360 D CA 0.118 54.199 54.000 0.135 0.000 0.834 360 D CB -0.593 40.314 40.800 0.178 0.000 0.953 360 D HN 0.149 nan 8.370 nan 0.000 0.505 361 S N 0.327 116.063 115.700 0.060 0.000 2.566 361 S HA 0.428 4.898 4.470 -0.000 0.000 0.280 361 S C 0.478 175.104 174.600 0.043 0.000 1.343 361 S CA -0.210 58.014 58.200 0.041 0.000 1.036 361 S CB 0.784 63.996 63.200 0.020 0.000 0.866 361 S HN 0.518 nan 8.310 nan 0.000 0.526 362 A N 2.028 124.867 122.820 0.032 0.000 2.354 362 A HA 0.683 5.003 4.320 -0.000 0.000 0.269 362 A C -0.277 177.296 177.584 -0.018 0.000 1.109 362 A CA -0.452 51.597 52.037 0.021 0.000 0.800 362 A CB 0.075 19.090 19.000 0.025 0.000 1.045 362 A HN 0.809 nan 8.150 nan 0.000 0.489 363 I N 1.220 121.755 120.570 -0.058 0.000 2.569 363 I HA 0.511 4.681 4.170 -0.000 0.000 0.290 363 I C -0.719 175.219 176.117 -0.298 0.000 1.088 363 I CA -0.050 61.130 61.300 -0.199 0.000 1.047 363 I CB 2.097 39.951 38.000 -0.244 0.000 1.237 363 I HN 0.576 nan 8.210 nan 0.000 0.421 364 S N 6.404 121.875 115.700 -0.382 0.000 2.521 364 S HA 0.628 5.098 4.470 -0.000 0.000 0.295 364 S C -0.976 173.261 174.600 -0.605 0.000 1.098 364 S CA -0.469 57.509 58.200 -0.370 0.000 0.999 364 S CB 1.327 64.380 63.200 -0.245 0.000 1.034 364 S HN 0.377 nan 8.310 nan 0.000 0.483 365 F N 1.415 121.223 119.950 -0.236 0.000 2.420 365 F HA 0.403 4.930 4.527 -0.000 0.000 0.342 365 F C 0.490 176.053 175.800 -0.394 0.000 1.113 365 F CA -0.632 57.244 58.000 -0.206 0.000 1.059 365 F CB 0.889 39.829 39.000 -0.100 0.000 1.128 365 F HN 0.563 nan 8.300 nan 0.000 0.475 366 H N 0.215 119.402 119.070 0.195 0.000 2.556 366 H HA 0.239 4.795 4.556 -0.000 0.000 0.310 366 H C 0.801 176.233 175.328 0.172 0.000 1.057 366 H CA -0.454 55.690 56.048 0.159 0.000 1.264 366 H CB 1.201 31.045 29.762 0.137 0.000 1.404 366 H HN 0.614 nan 8.280 nan 0.000 0.462 367 S N 1.672 117.479 115.700 0.178 0.000 2.428 367 S HA -0.097 4.373 4.470 -0.000 0.000 0.230 367 S C 2.160 176.788 174.600 0.046 0.000 1.014 367 S CA 0.624 58.880 58.200 0.093 0.000 0.957 367 S CB 0.053 63.281 63.200 0.046 0.000 0.784 367 S HN 0.767 nan 8.310 nan 0.000 0.499 368 G N -0.292 108.519 108.800 0.019 0.000 3.088 368 G HA2 0.335 4.295 3.960 -0.000 0.000 0.212 368 G HA3 0.335 4.295 3.960 -0.000 0.000 0.212 368 G C -0.176 174.371 174.900 -0.589 0.000 1.173 368 G CA -0.158 44.779 45.100 -0.271 0.000 0.779 368 G HN 0.441 nan 8.290 nan 0.000 0.540 369 Y N -0.053 120.256 120.300 0.015 0.000 2.630 369 Y HA 0.529 5.078 4.550 -0.000 0.000 0.337 369 Y C 0.748 176.641 175.900 -0.010 0.000 1.051 369 Y CA -1.117 56.983 58.100 0.001 0.000 1.121 369 Y CB 1.561 40.024 38.460 0.005 0.000 1.299 369 Y HN 0.041 nan 8.280 nan 0.000 0.498 370 S N 0.031 115.802 115.700 0.119 0.000 2.669 370 S HA 0.750 5.220 4.470 -0.000 0.000 0.270 370 S C 0.529 175.141 174.600 0.019 0.000 1.225 370 S CA -0.016 58.204 58.200 0.032 0.000 0.991 370 S CB 0.976 64.180 63.200 0.007 0.000 0.987 370 S HN 1.553 nan 8.310 nan 0.000 0.552 371 G N 0.148 108.915 108.800 -0.055 0.000 2.562 371 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.250 371 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.250 371 G C -0.791 174.033 174.900 -0.126 0.000 1.269 371 G CA 0.150 45.174 45.100 -0.127 0.000 0.919 371 G HN 1.485 nan 8.290 nan 0.000 0.574 372 L N -0.122 121.012 121.223 -0.149 0.000 2.313 372 L HA 0.758 5.098 4.340 -0.000 0.000 0.283 372 L C -0.118 176.791 176.870 0.064 0.000 1.013 372 L CA -0.684 54.110 54.840 -0.078 0.000 0.816 372 L CB 1.908 43.838 42.059 -0.215 0.000 1.236 372 L HN 0.765 nan 8.230 nan 0.000 0.419 373 V N 4.861 124.872 119.914 0.162 0.000 2.483 373 V HA 0.933 5.053 4.120 -0.000 0.000 0.297 373 V C -0.209 176.050 176.094 0.274 0.000 1.027 373 V CA -0.217 62.196 62.300 0.187 0.000 0.855 373 V CB 1.192 33.106 31.823 0.152 0.000 0.995 373 V HN 0.976 nan 8.190 nan 0.000 0.424 374 A N 3.132 126.079 122.820 0.211 0.000 2.539 374 A HA 0.887 5.207 4.320 -0.000 0.000 0.296 374 A C -0.462 177.178 177.584 0.093 0.000 1.073 374 A CA -0.599 51.487 52.037 0.081 0.000 0.700 374 A CB 2.141 21.091 19.000 -0.085 0.000 1.296 374 A HN 0.600 nan 8.150 nan 0.000 0.405 375 T N 1.440 116.039 114.554 0.074 0.000 2.770 375 T HA 0.548 4.897 4.350 -0.000 0.000 0.283 375 T C -0.768 173.932 174.700 -0.000 0.000 0.988 375 T CA -0.200 61.953 62.100 0.087 0.000 0.957 375 T CB 0.888 69.882 68.868 0.210 0.000 0.930 375 T HN 0.553 nan 8.240 nan 0.000 0.443 376 V N 3.310 123.238 119.914 0.023 0.000 2.409 376 V HA 0.357 4.477 4.120 -0.000 0.000 0.291 376 V C 0.309 176.423 176.094 0.035 0.000 1.020 376 V CA -0.831 61.469 62.300 0.000 0.000 0.848 376 V CB 1.864 33.682 31.823 -0.008 0.000 0.990 376 V HN 0.897 nan 8.190 nan 0.000 0.430 377 S N 4.088 119.802 115.700 0.025 0.000 3.483 377 S HA 0.377 4.847 4.470 -0.000 0.000 0.274 377 S C 0.789 175.405 174.600 0.025 0.000 1.289 377 S CA -0.284 57.937 58.200 0.035 0.000 0.938 377 S CB 0.315 63.534 63.200 0.032 0.000 1.453 377 S HN 1.002 nan 8.310 nan 0.000 0.494 378 G N 1.544 110.360 108.800 0.026 0.000 2.606 378 G HA2 0.242 4.202 3.960 -0.000 0.000 0.252 378 G HA3 0.242 4.202 3.960 -0.000 0.000 0.252 378 G C 1.044 175.951 174.900 0.012 0.000 1.206 378 G CA -0.252 44.856 45.100 0.014 0.000 0.861 378 G HN 0.620 nan 8.290 nan 0.000 0.561 379 S N -0.505 115.198 115.700 0.005 0.000 2.453 379 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 379 S C 1.695 176.295 174.600 -0.001 0.000 1.005 379 S CA 1.206 59.408 58.200 0.004 0.000 0.949 379 S CB -0.011 63.191 63.200 0.003 0.000 0.774 379 S HN 0.547 nan 8.310 nan 0.000 0.510 380 Q N 0.569 120.367 119.800 -0.004 0.000 2.304 380 Q HA 0.360 4.700 4.340 -0.000 0.000 0.204 380 Q C 0.472 176.466 176.000 -0.010 0.000 0.936 380 Q CA 0.796 56.593 55.803 -0.009 0.000 0.878 380 Q CB 0.135 28.865 28.738 -0.013 0.000 0.983 380 Q HN 0.719 nan 8.270 nan 0.000 0.516 381 Q N -0.550 119.249 119.800 -0.001 0.000 2.544 381 Q HA 0.498 4.837 4.340 -0.000 0.000 0.291 381 Q C -1.118 174.904 176.000 0.036 0.000 1.068 381 Q CA -0.470 55.336 55.803 0.004 0.000 0.785 381 Q CB 2.050 30.794 28.738 0.011 0.000 1.481 381 Q HN -0.163 nan 8.270 nan 0.000 0.430 382 T N 1.344 115.935 114.554 0.062 0.000 2.829 382 T HA 0.572 4.921 4.350 -0.000 0.000 0.282 382 T C -0.649 174.202 174.700 0.251 0.000 0.990 382 T CA -0.492 61.693 62.100 0.142 0.000 1.028 382 T CB 0.354 69.327 68.868 0.174 0.000 0.951 382 T HN 0.232 nan 8.240 nan 0.000 0.460 383 L N 2.749 124.095 121.223 0.205 0.000 2.342 383 L HA 0.722 5.061 4.340 -0.000 0.000 0.271 383 L C -0.667 176.305 176.870 0.170 0.000 1.008 383 L CA -1.228 53.739 54.840 0.213 0.000 0.818 383 L CB 1.968 44.095 42.059 0.114 0.000 1.296 383 L HN 0.298 nan 8.230 nan 0.000 0.427 384 V N 3.100 123.110 119.914 0.161 0.000 2.409 384 V HA 0.426 4.546 4.120 -0.000 0.000 0.291 384 V C -0.232 176.002 176.094 0.234 0.000 1.020 384 V CA -0.605 61.740 62.300 0.075 0.000 0.848 384 V CB 2.093 33.781 31.823 -0.224 0.000 0.990 384 V HN 0.421 nan 8.190 nan 0.000 0.430 385 V N 3.933 123.950 119.914 0.172 0.000 2.409 385 V HA 0.831 4.951 4.120 -0.000 0.000 0.291 385 V C 0.185 176.383 176.094 0.175 0.000 1.020 385 V CA -0.504 61.893 62.300 0.162 0.000 0.848 385 V CB 1.631 33.554 31.823 0.166 0.000 0.990 385 V HN 0.967 nan 8.190 nan 0.000 0.430 386 A N 6.612 129.527 122.820 0.158 0.000 2.340 386 A HA 0.874 5.194 4.320 -0.000 0.000 0.297 386 A C -0.971 176.649 177.584 0.060 0.000 1.195 386 A CA -0.423 51.695 52.037 0.134 0.000 0.769 386 A CB 0.725 19.864 19.000 0.232 0.000 1.163 386 A HN 0.801 nan 8.150 nan 0.000 0.472 387 L N 2.270 123.508 121.223 0.026 0.000 2.325 387 L HA 0.443 4.783 4.340 -0.000 0.000 0.281 387 L C 0.322 177.142 176.870 -0.083 0.000 1.004 387 L CA -0.704 54.118 54.840 -0.030 0.000 0.823 387 L CB 1.094 43.122 42.059 -0.052 0.000 1.236 387 L HN 0.930 nan 8.230 nan 0.000 0.415 388 N N 0.989 119.652 118.700 -0.063 0.000 2.727 388 N HA -0.200 4.539 4.740 -0.000 0.000 0.249 388 N C -0.266 175.218 175.510 -0.043 0.000 1.048 388 N CA 0.507 53.516 53.050 -0.069 0.000 0.714 388 N CB -0.387 38.026 38.487 -0.122 0.000 0.959 388 N HN 0.594 nan 8.380 nan 0.000 0.544 389 S N -0.159 115.539 115.700 -0.004 0.000 2.621 389 S HA 0.315 4.785 4.470 -0.000 0.000 0.302 389 S C 0.641 175.275 174.600 0.056 0.000 1.093 389 S CA -0.694 57.527 58.200 0.035 0.000 1.017 389 S CB 1.232 64.464 63.200 0.054 0.000 1.077 389 S HN 0.314 nan 8.310 nan 0.000 0.517 390 D N 2.065 122.518 120.400 0.088 0.000 2.339 390 D HA 0.038 4.678 4.640 -0.000 0.000 0.217 390 D C 0.779 177.155 176.300 0.128 0.000 1.050 390 D CA -0.249 53.812 54.000 0.101 0.000 0.856 390 D CB -0.501 40.357 40.800 0.096 0.000 0.922 390 D HN 0.320 nan 8.370 nan 0.000 0.518 391 L N 0.889 122.166 121.223 0.090 0.000 2.573 391 L HA 0.263 4.603 4.340 -0.000 0.000 0.290 391 L C 1.392 178.223 176.870 -0.064 0.000 1.247 391 L CA 0.820 55.575 54.840 -0.142 0.000 0.876 391 L CB 0.829 42.701 42.059 -0.312 0.000 1.123 391 L HN 0.070 nan 8.230 nan 0.000 0.505 392 G N 4.084 112.812 108.800 -0.120 0.000 2.651 392 G HA2 0.070 4.030 3.960 -0.000 0.000 0.207 392 G HA3 0.070 4.030 3.960 -0.000 0.000 0.207 392 G C 0.109 174.918 174.900 -0.152 0.000 1.131 392 G CA 0.405 45.465 45.100 -0.067 0.000 0.816 392 G HN 0.821 nan 8.290 nan 0.000 0.534 393 N N -0.479 118.020 118.700 -0.336 0.000 2.405 393 N HA 0.220 4.960 4.740 -0.000 0.000 0.274 393 N C -2.679 172.348 175.510 -0.805 0.000 1.170 393 N CA -1.378 51.362 53.050 -0.515 0.000 0.848 393 N CB 2.691 40.996 38.487 -0.304 0.000 1.629 393 N HN -0.195 nan 8.380 nan 0.000 0.481 394 P HA -0.080 nan 4.420 nan 0.000 0.218 394 P C 1.396 178.205 177.300 -0.819 0.000 1.148 394 P CA 1.458 63.785 63.100 -1.289 0.000 0.822 394 P CB -0.182 30.471 31.700 -1.746 0.000 0.784 395 G N 0.151 108.636 108.800 -0.525 0.000 2.535 395 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 395 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 395 G C 1.536 176.288 174.900 -0.247 0.000 1.122 395 G CA 0.231 45.171 45.100 -0.267 0.000 0.769 395 G HN 0.353 nan 8.290 nan 0.000 0.549 396 Q N -0.606 118.999 119.800 -0.326 0.000 2.297 396 Q HA 0.044 4.384 4.340 -0.000 0.000 0.204 396 Q C 2.391 178.246 176.000 -0.241 0.000 0.962 396 Q CA 1.300 56.960 55.803 -0.238 0.000 0.879 396 Q CB 0.186 28.758 28.738 -0.276 0.000 0.947 396 Q HN 0.581 nan 8.270 nan 0.000 0.462 397 V N -5.497 114.178 119.914 -0.398 0.000 3.502 397 V HA 0.613 4.733 4.120 -0.000 0.000 0.288 397 V C 0.115 175.954 176.094 -0.425 0.000 1.461 397 V CA 0.083 62.084 62.300 -0.499 0.000 1.029 397 V CB 0.722 32.028 31.823 -0.861 0.000 0.843 397 V HN 0.039 nan 8.190 nan 0.000 0.438 398 A N 0.011 122.652 122.820 -0.298 0.000 2.549 398 A HA 0.784 5.104 4.320 -0.000 0.000 0.297 398 A C -0.469 177.152 177.584 0.062 0.000 1.061 398 A CA 0.047 52.022 52.037 -0.103 0.000 0.690 398 A CB 1.731 20.666 19.000 -0.107 0.000 1.287 398 A HN 0.375 nan 8.150 nan 0.000 0.402 399 S N 0.311 116.075 115.700 0.108 0.000 2.565 399 S HA 0.716 5.186 4.470 -0.000 0.000 0.274 399 S C 0.439 175.128 174.600 0.147 0.000 1.309 399 S CA 0.985 59.248 58.200 0.104 0.000 1.043 399 S CB 0.577 63.807 63.200 0.050 0.000 0.939 399 S HN 2.619 nan 8.310 nan 0.000 0.504 400 G N 2.010 110.851 108.800 0.069 0.000 2.354 400 G HA2 0.090 4.050 3.960 -0.000 0.000 0.582 400 G HA3 0.090 4.050 3.960 -0.000 0.000 0.582 400 G C -0.880 173.902 174.900 -0.196 0.000 1.316 400 G CA -0.483 44.540 45.100 -0.129 0.000 0.995 400 G HN 0.855 nan 8.290 nan 0.000 0.573 401 S N -0.355 115.124 115.700 -0.369 0.000 2.457 401 S HA 0.798 5.268 4.470 -0.000 0.000 0.289 401 S C -0.790 173.517 174.600 -0.489 0.000 1.163 401 S CA -0.420 57.624 58.200 -0.259 0.000 1.078 401 S CB 0.042 63.146 63.200 -0.160 0.000 0.987 401 S HN 0.529 nan 8.310 nan 0.000 0.482 402 F N 2.012 121.950 119.950 -0.020 0.000 2.532 402 F HA 0.526 5.053 4.527 -0.000 0.000 0.321 402 F C 0.547 176.411 175.800 0.106 0.000 1.089 402 F CA -0.580 57.441 58.000 0.035 0.000 0.926 402 F CB 2.207 41.188 39.000 -0.032 0.000 1.168 402 F HN 0.380 nan 8.300 nan 0.000 0.459 403 S N 0.624 116.527 115.700 0.338 0.000 2.568 403 S HA 0.363 4.833 4.470 -0.000 0.000 0.302 403 S C -0.792 174.035 174.600 0.379 0.000 1.082 403 S CA -1.144 57.225 58.200 0.282 0.000 1.009 403 S CB 1.701 64.985 63.200 0.139 0.000 1.069 403 S HN 0.481 nan 8.310 nan 0.000 0.500 404 E N 0.671 121.038 120.200 0.278 0.000 2.344 404 E HA 0.274 4.623 4.350 -0.000 0.000 0.270 404 E C 0.539 177.106 176.600 -0.056 0.000 1.021 404 E CA -0.173 56.218 56.400 -0.015 0.000 0.887 404 E CB 1.074 30.738 29.700 -0.059 0.000 0.997 404 E HN 0.722 nan 8.360 nan 0.000 0.429 405 A N 3.819 126.552 122.820 -0.145 0.000 1.984 405 A HA 0.180 4.499 4.320 -0.000 0.000 0.203 405 A C 0.434 177.946 177.584 -0.120 0.000 1.292 405 A CA 0.281 52.267 52.037 -0.085 0.000 0.782 405 A CB 0.862 19.832 19.000 -0.049 0.000 0.924 405 A HN 0.357 nan 8.150 nan 0.000 0.475 406 V N 0.186 119.986 119.914 -0.191 0.000 2.808 406 V HA 0.439 4.558 4.120 -0.000 0.000 0.308 406 V C -1.259 174.708 176.094 -0.211 0.000 1.099 406 V CA -0.693 61.520 62.300 -0.145 0.000 0.920 406 V CB 1.722 33.483 31.823 -0.103 0.000 1.014 406 V HN 0.510 nan 8.190 nan 0.000 0.425 407 N N 2.229 120.865 118.700 -0.106 0.000 2.621 407 N HA 0.716 5.456 4.740 -0.000 0.000 0.271 407 N C -0.820 174.679 175.510 -0.018 0.000 1.181 407 N CA -0.014 52.972 53.050 -0.107 0.000 0.805 407 N CB 1.261 39.681 38.487 -0.111 0.000 1.351 407 N HN 1.032 nan 8.380 nan 0.000 0.539 408 A N 1.290 124.115 122.820 0.008 0.000 2.486 408 A HA 0.713 5.032 4.320 -0.000 0.000 0.289 408 A C 0.064 177.627 177.584 -0.034 0.000 1.176 408 A CA -0.274 51.768 52.037 0.008 0.000 0.757 408 A CB 0.985 20.027 19.000 0.070 0.000 1.337 408 A HN 1.152 nan 8.150 nan 0.000 0.423 409 S N -0.018 115.644 115.700 -0.063 0.000 3.447 409 S HA -0.250 4.220 4.470 -0.000 0.000 0.371 409 S C 0.109 174.686 174.600 -0.038 0.000 0.951 409 S CA 1.261 59.423 58.200 -0.062 0.000 1.269 409 S CB -2.187 60.967 63.200 -0.078 0.000 0.919 409 S HN 2.196 nan 8.310 nan 0.000 0.516 410 N N -0.103 118.580 118.700 -0.029 0.000 2.738 410 N HA -0.125 4.615 4.740 -0.000 0.000 0.249 410 N C 1.109 176.611 175.510 -0.014 0.000 1.047 410 N CA 1.833 54.872 53.050 -0.018 0.000 0.707 410 N CB -1.310 37.166 38.487 -0.017 0.000 0.937 410 N HN 2.122 nan 8.380 nan 0.000 0.545 411 G N -1.278 107.511 108.800 -0.018 0.000 2.184 411 G HA2 -0.405 3.554 3.960 -0.000 0.000 0.264 411 G HA3 -0.405 3.554 3.960 -0.000 0.000 0.264 411 G C 0.729 175.620 174.900 -0.016 0.000 0.975 411 G CA 0.715 45.806 45.100 -0.015 0.000 0.642 411 G HN 0.608 nan 8.290 nan 0.000 0.536 412 Q N -0.804 118.984 119.800 -0.020 0.000 2.297 412 Q HA 0.206 4.546 4.340 -0.000 0.000 0.204 412 Q C 0.689 176.681 176.000 -0.014 0.000 0.962 412 Q CA 1.236 57.027 55.803 -0.020 0.000 0.879 412 Q CB 0.482 29.203 28.738 -0.028 0.000 0.947 412 Q HN 0.484 nan 8.270 nan 0.000 0.462 413 V N 1.610 121.518 119.914 -0.011 0.000 2.376 413 V HA 0.369 4.489 4.120 -0.000 0.000 0.287 413 V C -0.483 175.574 176.094 -0.061 0.000 1.015 413 V CA -0.568 61.745 62.300 0.021 0.000 0.834 413 V CB 1.518 33.412 31.823 0.119 0.000 1.001 413 V HN 0.125 nan 8.190 nan 0.000 0.428 414 R N 3.270 123.680 120.500 -0.150 0.000 2.621 414 R HA 0.862 5.201 4.340 -0.000 0.000 0.284 414 R C -1.745 174.240 176.300 -0.526 0.000 0.998 414 R CA -0.670 55.152 56.100 -0.462 0.000 0.895 414 R CB 2.798 32.712 30.300 -0.642 0.000 1.195 414 R HN 0.481 nan 8.270 nan 0.000 0.450 415 V N 2.647 122.166 119.914 -0.659 0.000 2.733 415 V HA 0.525 4.645 4.120 -0.000 0.000 0.306 415 V C -0.890 174.932 176.094 -0.453 0.000 1.084 415 V CA -0.899 61.183 62.300 -0.363 0.000 0.905 415 V CB 2.199 33.935 31.823 -0.146 0.000 1.010 415 V HN 0.642 nan 8.190 nan 0.000 0.424 416 W N 3.493 124.802 121.300 0.016 0.000 2.761 416 W HA 0.710 5.370 4.660 -0.000 0.000 0.340 416 W C -0.253 176.394 176.519 0.213 0.000 1.072 416 W CA -0.803 56.597 57.345 0.092 0.000 1.215 416 W CB 2.662 32.142 29.460 0.032 0.000 1.420 416 W HN 0.594 nan 8.180 nan 0.000 0.519 417 R N 0.247 121.024 120.500 0.461 0.000 2.711 417 R HA 0.633 4.972 4.340 -0.000 0.000 0.284 417 R C 0.255 176.677 176.300 0.203 0.000 0.968 417 R CA -0.700 55.587 56.100 0.312 0.000 0.924 417 R CB 1.436 31.815 30.300 0.132 0.000 1.162 417 R HN 0.353 nan 8.270 nan 0.000 0.465 418 S N 0.000 115.662 115.700 -0.063 0.000 2.498 418 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 418 S CA 0.000 57.895 58.200 -0.509 0.000 1.107 418 S CB 0.000 62.929 63.200 -0.451 0.000 0.593 418 S HN 0.000 nan 8.310 nan 0.000 0.517