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 3p6v_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP XXXXXXXDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.501 175.510 -0.015 0.000 1.280 10 N CA 0.000 53.040 53.050 -0.017 0.000 0.885 10 N CB 0.000 38.471 38.487 -0.026 0.000 1.341 11 L N 2.287 123.501 121.223 -0.015 0.000 2.326 11 L HA 0.720 4.875 4.340 -0.309 0.000 0.278 11 L C 0.739 177.617 176.870 0.012 0.000 1.092 11 L CA -0.712 54.122 54.840 -0.009 0.000 0.810 11 L CB 1.338 43.388 42.059 -0.015 0.000 1.153 11 L HN 0.185 nan 8.230 nan 0.000 0.439 12 A N 5.283 128.122 122.820 0.031 0.000 2.354 12 A HA 0.576 4.710 4.320 -0.309 0.000 0.269 12 A C -2.179 175.448 177.584 0.071 0.000 1.109 12 A CA -1.291 50.781 52.037 0.058 0.000 0.800 12 A CB -0.196 18.855 19.000 0.086 0.000 1.045 12 A HN 0.499 nan 8.150 nan 0.000 0.489 13 P HA 0.108 nan 4.420 nan 0.000 0.268 13 P C -0.403 176.914 177.300 0.030 0.000 1.204 13 P CA -0.301 62.818 63.100 0.031 0.000 0.768 13 P CB 0.509 32.219 31.700 0.017 0.000 0.842 14 L N 6.538 127.751 121.223 -0.017 0.000 2.615 14 L HA 0.148 4.302 4.340 -0.309 0.000 0.271 14 L C -2.031 174.714 176.870 -0.209 0.000 1.183 14 L CA -1.189 53.571 54.840 -0.134 0.000 0.933 14 L CB -0.985 40.974 42.059 -0.166 0.000 1.199 14 L HN 0.294 nan 8.230 nan 0.000 0.487 15 P HA 0.092 nan 4.420 nan 0.000 0.266 15 P C -2.064 175.073 177.300 -0.271 0.000 1.195 15 P CA -0.908 62.048 63.100 -0.240 0.000 0.768 15 P CB 0.027 31.562 31.700 -0.274 0.000 0.838 16 P HA -0.191 nan 4.420 nan 0.000 0.222 16 P C 1.125 178.394 177.300 -0.051 0.000 1.147 16 P CA 1.515 64.577 63.100 -0.063 0.000 0.790 16 P CB -0.382 31.317 31.700 -0.001 0.000 0.780 17 H N -0.988 118.010 119.070 -0.120 0.000 2.555 17 H HA 0.099 4.469 4.556 -0.309 0.000 0.269 17 H C -0.005 175.272 175.328 -0.084 0.000 0.988 17 H CA 0.185 56.191 56.048 -0.070 0.000 1.178 17 H CB -0.886 28.866 29.762 -0.017 0.000 1.373 17 H HN -0.083 nan 8.280 nan 0.000 0.588 18 V N 5.335 124.867 119.914 -0.637 0.000 2.364 18 V HA 0.229 4.163 4.120 -0.309 0.000 0.272 18 V C -1.977 173.914 176.094 -0.338 0.000 1.036 18 V CA -1.686 60.253 62.300 -0.601 0.000 0.880 18 V CB 1.546 32.654 31.823 -1.192 0.000 0.991 18 V HN 0.233 nan 8.190 nan 0.000 0.460 19 P HA 0.232 nan 4.420 nan 0.000 0.275 19 P C 0.598 177.774 177.300 -0.207 0.000 1.227 19 P CA -0.201 62.802 63.100 -0.162 0.000 0.781 19 P CB 1.248 32.859 31.700 -0.148 0.000 0.906 20 E N 1.214 121.361 120.200 -0.088 0.000 2.171 20 E HA -0.241 3.924 4.350 -0.309 0.000 0.197 20 E C 1.703 178.302 176.600 -0.001 0.000 0.997 20 E CA 1.210 57.586 56.400 -0.040 0.000 0.810 20 E CB -0.339 29.368 29.700 0.012 0.000 0.738 20 E HN 0.678 nan 8.360 nan 0.000 0.467 21 H N 0.087 119.177 119.070 0.033 0.000 2.545 21 H HA -0.024 4.347 4.556 -0.309 0.000 0.282 21 H C 1.594 176.972 175.328 0.084 0.000 1.020 21 H CA 0.625 56.705 56.048 0.053 0.000 1.243 21 H CB -0.149 29.637 29.762 0.040 0.000 1.377 21 H HN 0.198 nan 8.280 nan 0.000 0.581 22 L N 1.371 122.459 121.223 -0.225 0.000 2.607 22 L HA 0.184 4.339 4.340 -0.309 0.000 0.228 22 L C 0.184 177.122 176.870 0.114 0.000 1.123 22 L CA -0.262 54.561 54.840 -0.028 0.000 0.890 22 L CB 0.688 42.743 42.059 -0.006 0.000 1.103 22 L HN -0.019 nan 8.230 nan 0.000 0.468 23 V N 0.743 120.716 119.914 0.099 0.000 2.455 23 V HA 0.128 4.063 4.120 -0.309 0.000 0.273 23 V C -0.643 175.585 176.094 0.223 0.000 1.045 23 V CA 0.061 62.453 62.300 0.153 0.000 0.976 23 V CB 0.996 32.872 31.823 0.088 0.000 0.993 23 V HN 0.075 nan 8.190 nan 0.000 0.475 24 F N 3.743 123.713 119.950 0.033 0.000 2.745 24 F HA 0.410 4.751 4.527 -0.310 0.000 0.343 24 F C 0.137 175.937 175.800 -0.001 0.000 1.196 24 F CA -0.699 57.312 58.000 0.019 0.000 1.021 24 F CB 1.521 40.532 39.000 0.018 0.000 1.297 24 F HN 0.505 nan 8.300 nan 0.000 0.486 25 D N 6.731 126.981 120.400 -0.249 0.000 2.688 25 D HA 0.001 4.455 4.640 -0.309 0.000 0.228 25 D C -0.312 175.877 176.300 -0.186 0.000 1.116 25 D CA 0.320 54.208 54.000 -0.186 0.000 1.023 25 D CB -0.123 40.572 40.800 -0.176 0.000 1.100 25 D HN 0.253 nan 8.370 nan 0.000 0.487 26 F N 1.921 121.757 119.950 -0.191 0.000 2.467 26 F HA 0.090 4.431 4.527 -0.310 0.000 0.362 26 F C 0.504 176.191 175.800 -0.188 0.000 1.090 26 F CA -0.585 57.324 58.000 -0.152 0.000 1.202 26 F CB 0.785 39.775 39.000 -0.017 0.000 1.113 26 F HN -0.100 nan 8.300 nan 0.000 0.541 27 D N 7.291 127.255 120.400 -0.727 0.000 2.427 27 D HA 0.104 4.559 4.640 -0.309 0.000 0.226 27 D C 0.905 176.737 176.300 -0.779 0.000 1.076 27 D CA -0.457 53.236 54.000 -0.512 0.000 0.849 27 D CB 0.964 41.583 40.800 -0.301 0.000 1.052 27 D HN 0.738 nan 8.370 nan 0.000 0.515 28 M N 2.038 121.325 119.600 -0.522 0.000 2.460 28 M HA -0.082 4.213 4.480 -0.309 0.000 0.263 28 M C 0.126 176.212 176.300 -0.357 0.000 1.071 28 M CA 1.185 56.190 55.300 -0.492 0.000 1.096 28 M CB -0.167 32.333 32.600 -0.166 0.000 1.408 28 M HN 0.191 nan 8.290 nan 0.000 0.463 29 Y N 0.570 120.828 120.300 -0.070 0.000 2.462 29 Y HA 0.302 4.666 4.550 -0.310 0.000 0.261 29 Y C 0.673 176.542 175.900 -0.051 0.000 1.146 29 Y CA -0.096 57.999 58.100 -0.008 0.000 1.283 29 Y CB 0.348 38.803 38.460 -0.009 0.000 1.090 29 Y HN 0.474 nan 8.280 nan 0.000 0.526 30 N N 0.830 119.497 118.700 -0.054 0.000 2.679 30 N HA 0.104 4.659 4.740 -0.309 0.000 0.240 30 N C -3.319 172.053 175.510 -0.230 0.000 1.537 30 N CA -1.036 51.965 53.050 -0.081 0.000 0.793 30 N CB 0.947 39.410 38.487 -0.039 0.000 1.391 30 N HN -0.164 nan 8.380 nan 0.000 0.524 31 P HA 0.079 nan 4.420 nan 0.000 0.271 31 P C 1.058 178.250 177.300 -0.181 0.000 1.216 31 P CA 0.000 62.829 63.100 -0.452 0.000 0.776 31 P CB 1.321 32.747 31.700 -0.458 0.000 0.881 32 S N 1.788 117.399 115.700 -0.149 0.000 2.399 32 S HA -0.145 4.139 4.470 -0.309 0.000 0.231 32 S C 1.097 175.693 174.600 -0.005 0.000 1.022 32 S CA 0.992 59.153 58.200 -0.065 0.000 0.983 32 S CB -0.823 62.342 63.200 -0.058 0.000 0.803 32 S HN 0.412 nan 8.310 nan 0.000 0.480 33 N N 1.213 119.933 118.700 0.034 0.000 2.327 33 N HA 0.245 4.800 4.740 -0.309 0.000 0.231 33 N C 0.923 176.485 175.510 0.087 0.000 1.130 33 N CA -0.080 53.010 53.050 0.066 0.000 0.845 33 N CB 0.348 38.892 38.487 0.094 0.000 1.073 33 N HN 0.277 nan 8.380 nan 0.000 0.496 34 L N 1.336 122.606 121.223 0.078 0.000 2.081 34 L HA -0.206 3.948 4.340 -0.309 0.000 0.212 34 L C 2.134 179.063 176.870 0.098 0.000 1.080 34 L CA 1.736 56.647 54.840 0.118 0.000 0.754 34 L CB -0.923 41.197 42.059 0.101 0.000 0.893 34 L HN 0.217 nan 8.230 nan 0.000 0.433 35 S N -1.290 114.443 115.700 0.056 0.000 2.474 35 S HA -0.009 4.275 4.470 -0.309 0.000 0.235 35 S C 1.908 176.518 174.600 0.017 0.000 0.997 35 S CA 0.568 58.783 58.200 0.025 0.000 0.949 35 S CB -0.734 62.476 63.200 0.018 0.000 0.766 35 S HN 0.471 nan 8.310 nan 0.000 0.517 36 A N 1.160 124.009 122.820 0.048 0.000 2.208 36 A HA 0.564 4.699 4.320 -0.309 0.000 0.209 36 A C 1.218 178.849 177.584 0.079 0.000 1.161 36 A CA 0.387 52.458 52.037 0.057 0.000 0.782 36 A CB -0.862 18.181 19.000 0.072 0.000 0.816 36 A HN 1.564 nan 8.150 nan 0.000 0.477 37 G N -2.410 106.448 108.800 0.096 0.000 2.742 37 G HA2 0.088 3.863 3.960 -0.309 0.000 0.686 37 G HA3 0.088 3.863 3.960 -0.309 0.000 0.686 37 G C 0.374 175.507 174.900 0.388 0.000 1.220 37 G CA -0.184 45.045 45.100 0.215 0.000 0.783 37 G HN 0.831 nan 8.290 nan 0.000 0.646 38 V N 1.493 121.790 119.914 0.639 0.000 2.358 38 V HA -0.136 3.798 4.120 -0.309 0.000 0.246 38 V C 2.723 179.043 176.094 0.376 0.000 1.047 38 V CA 3.311 65.895 62.300 0.474 0.000 1.035 38 V CB -0.362 31.737 31.823 0.459 0.000 0.658 38 V HN 0.817 nan 8.190 nan 0.000 0.452 39 Q N 0.106 120.010 119.800 0.173 0.000 2.061 39 Q HA -0.249 3.906 4.340 -0.309 0.000 0.204 39 Q C 2.073 178.168 176.000 0.158 0.000 0.984 39 Q CA 2.403 58.242 55.803 0.061 0.000 0.846 39 Q CB -0.370 28.297 28.738 -0.118 0.000 0.902 39 Q HN 0.709 nan 8.270 nan 0.000 0.421 40 E N 0.213 120.509 120.200 0.160 0.000 2.085 40 E HA -0.196 3.969 4.350 -0.309 0.000 0.194 40 E C 1.845 178.562 176.600 0.195 0.000 0.994 40 E CA 1.381 57.869 56.400 0.145 0.000 0.801 40 E CB -0.381 29.398 29.700 0.131 0.000 0.743 40 E HN 0.427 nan 8.360 nan 0.000 0.453 41 A N -0.151 122.827 122.820 0.264 0.000 1.902 41 A HA -0.164 3.971 4.320 -0.309 0.000 0.217 41 A C 1.776 179.570 177.584 0.350 0.000 1.181 41 A CA 1.283 53.485 52.037 0.275 0.000 0.623 41 A CB -0.936 18.222 19.000 0.264 0.000 0.818 41 A HN 0.366 nan 8.150 nan 0.000 0.443 42 W N -0.319 121.111 121.300 0.218 0.000 2.402 42 W HA 0.105 4.580 4.660 -0.308 0.000 0.286 42 W C 2.579 179.086 176.519 -0.021 0.000 1.221 42 W CA 1.075 58.514 57.345 0.157 0.000 1.257 42 W CB -0.295 29.222 29.460 0.095 0.000 1.120 42 W HN 0.351 nan 8.180 nan 0.000 0.551 43 A N -0.122 122.825 122.820 0.210 0.000 2.216 43 A HA -0.077 4.057 4.320 -0.309 0.000 0.214 43 A C 1.988 179.588 177.584 0.028 0.000 1.160 43 A CA 1.314 53.397 52.037 0.076 0.000 0.725 43 A CB -0.896 18.136 19.000 0.053 0.000 0.784 43 A HN 0.141 nan 8.150 nan 0.000 0.472 44 V N -0.144 119.810 119.914 0.066 0.000 2.453 44 V HA -0.238 3.696 4.120 -0.309 0.000 0.252 44 V C 2.184 178.220 176.094 -0.097 0.000 1.068 44 V CA 2.177 64.511 62.300 0.057 0.000 1.070 44 V CB -0.417 31.525 31.823 0.200 0.000 0.664 44 V HN 0.651 nan 8.190 nan 0.000 0.461 45 L N -0.658 120.438 121.223 -0.210 0.000 2.456 45 L HA -0.113 4.042 4.340 -0.309 0.000 0.224 45 L C 2.187 178.889 176.870 -0.281 0.000 1.148 45 L CA 1.177 55.782 54.840 -0.392 0.000 0.825 45 L CB -0.309 41.478 42.059 -0.452 0.000 0.937 45 L HN 0.420 nan 8.230 nan 0.000 0.450 46 Q N -0.820 118.880 119.800 -0.167 0.000 2.219 46 Q HA 0.120 4.275 4.340 -0.309 0.000 0.209 46 Q C -0.100 175.841 176.000 -0.098 0.000 0.854 46 Q CA -0.224 55.507 55.803 -0.121 0.000 0.960 46 Q CB 0.667 29.358 28.738 -0.078 0.000 1.116 46 Q HN 0.436 nan 8.270 nan 0.000 0.500 47 E N 0.826 120.963 120.200 -0.105 0.000 2.418 47 E HA -0.038 4.127 4.350 -0.309 0.000 0.261 47 E C 0.876 177.430 176.600 -0.077 0.000 1.070 47 E CA 0.480 56.838 56.400 -0.069 0.000 0.931 47 E CB 0.891 30.564 29.700 -0.044 0.000 0.954 47 E HN 0.171 nan 8.360 nan 0.000 0.439 48 S N 1.639 117.311 115.700 -0.047 0.000 2.474 48 S HA -0.160 4.124 4.470 -0.309 0.000 0.235 48 S C 1.123 175.699 174.600 -0.039 0.000 0.997 48 S CA 1.057 59.232 58.200 -0.041 0.000 0.949 48 S CB -0.199 62.986 63.200 -0.026 0.000 0.766 48 S HN 0.584 nan 8.310 nan 0.000 0.517 49 N N 1.203 119.881 118.700 -0.036 0.000 2.398 49 N HA 0.052 4.607 4.740 -0.309 0.000 0.188 49 N C -0.234 175.247 175.510 -0.048 0.000 1.122 49 N CA -0.011 53.026 53.050 -0.021 0.000 0.866 49 N CB -0.208 38.286 38.487 0.012 0.000 0.970 49 N HN 0.351 nan 8.380 nan 0.000 0.462 50 V N 2.287 122.131 119.914 -0.117 0.000 2.370 50 V HA 0.357 4.292 4.120 -0.309 0.000 0.279 50 V C -2.040 173.974 176.094 -0.133 0.000 1.029 50 V CA -1.610 60.567 62.300 -0.205 0.000 0.870 50 V CB 1.176 32.745 31.823 -0.425 0.000 0.984 50 V HN 0.032 nan 8.190 nan 0.000 0.451 51 P HA 0.135 nan 4.420 nan 0.000 0.271 51 P C 0.274 177.533 177.300 -0.069 0.000 1.233 51 P CA -0.226 62.852 63.100 -0.037 0.000 0.789 51 P CB 0.649 32.367 31.700 0.030 0.000 0.951 52 D N -0.350 120.007 120.400 -0.072 0.000 2.310 52 D HA -0.019 4.436 4.640 -0.309 0.000 0.212 52 D C 0.271 176.529 176.300 -0.070 0.000 0.965 52 D CA 1.297 55.236 54.000 -0.101 0.000 0.879 52 D CB -0.125 40.583 40.800 -0.153 0.000 0.921 52 D HN 0.049 nan 8.370 nan 0.000 0.510 53 L N 0.724 121.938 121.223 -0.015 0.000 2.441 53 L HA 0.321 4.476 4.340 -0.309 0.000 0.270 53 L C -0.832 176.159 176.870 0.201 0.000 0.973 53 L CA -1.108 53.777 54.840 0.076 0.000 0.842 53 L CB 1.756 43.823 42.059 0.014 0.000 1.239 53 L HN -0.168 nan 8.230 nan 0.000 0.406 54 V N 1.495 121.574 119.914 0.274 0.000 3.046 54 V HA 0.677 4.612 4.120 -0.309 0.000 0.316 54 V C -1.182 175.176 176.094 0.440 0.000 1.104 54 V CA -0.826 61.659 62.300 0.308 0.000 1.006 54 V CB 2.183 34.088 31.823 0.137 0.000 1.058 54 V HN 0.887 nan 8.190 nan 0.000 0.440 55 W N 2.147 123.470 121.300 0.038 0.000 2.429 55 W HA 0.636 5.111 4.660 -0.307 0.000 0.314 55 W C -0.705 175.697 176.519 -0.195 0.000 1.062 55 W CA -0.181 56.998 57.345 -0.277 0.000 1.211 55 W CB 1.927 31.024 29.460 -0.605 0.000 1.305 55 W HN 0.872 nan 8.180 nan 0.000 0.476 56 T N 5.045 119.166 114.554 -0.721 0.000 2.859 56 T HA 0.363 4.528 4.350 -0.309 0.000 0.281 56 T C 0.974 175.255 174.700 -0.699 0.000 1.005 56 T CA -0.430 61.355 62.100 -0.525 0.000 1.025 56 T CB 1.183 69.788 68.868 -0.438 0.000 0.977 56 T HN 0.627 nan 8.240 nan 0.000 0.458 57 R N 1.823 122.175 120.500 -0.247 0.000 2.297 57 R HA 0.199 4.354 4.340 -0.309 0.000 0.197 57 R C 0.619 176.847 176.300 -0.120 0.000 0.943 57 R CA -0.167 55.874 56.100 -0.100 0.000 1.038 57 R CB -0.276 30.050 30.300 0.043 0.000 0.957 57 R HN 0.553 nan 8.270 nan 0.000 0.484 58 C N 1.509 120.709 119.300 -0.166 0.000 2.700 58 C HA 0.079 4.354 4.460 -0.309 0.000 0.397 58 C C 0.840 175.816 174.990 -0.023 0.000 1.301 58 C CA -0.374 58.591 59.018 -0.088 0.000 2.219 58 C CB -0.158 27.527 27.740 -0.092 0.000 2.699 58 C HN 0.688 nan 8.230 nan 0.000 0.669 59 N N 0.568 119.296 118.700 0.047 0.000 2.727 59 N HA -0.140 4.414 4.740 -0.309 0.000 0.249 59 N C 0.690 176.265 175.510 0.108 0.000 1.048 59 N CA 0.957 54.076 53.050 0.115 0.000 0.714 59 N CB -1.195 37.428 38.487 0.228 0.000 0.959 59 N HN 1.374 nan 8.380 nan 0.000 0.544 60 G N -1.944 106.891 108.800 0.059 0.000 2.234 60 G HA2 0.136 3.910 3.960 -0.309 0.000 0.235 60 G HA3 0.136 3.910 3.960 -0.309 0.000 0.235 60 G C 0.557 175.489 174.900 0.054 0.000 0.997 60 G CA 0.321 45.460 45.100 0.065 0.000 0.623 60 G HN 1.624 nan 8.290 nan 0.000 0.514 61 G N -0.609 108.152 108.800 -0.064 0.000 3.190 61 G HA2 0.568 4.343 3.960 -0.309 0.000 0.686 61 G HA3 0.568 4.343 3.960 -0.309 0.000 0.686 61 G C -0.532 173.943 174.900 -0.708 0.000 1.033 61 G CA 0.665 45.545 45.100 -0.367 0.000 0.797 61 G HN 2.897 nan 8.290 nan 0.000 0.567 62 H N -1.745 116.336 119.070 -1.648 0.000 3.005 62 H HA 0.595 4.965 4.556 -0.309 0.000 0.311 62 H C -0.581 174.055 175.328 -1.152 0.000 1.366 62 H CA -1.566 53.747 56.048 -1.226 0.000 1.210 62 H CB -0.010 29.516 29.762 -0.394 0.000 1.894 62 H HN 0.708 nan 8.280 nan 0.000 0.520 63 W N 1.283 122.481 121.300 -0.169 0.000 2.126 63 W HA 0.546 5.021 4.660 -0.310 0.000 0.346 63 W C -0.144 176.455 176.519 0.133 0.000 1.279 63 W CA -0.450 56.951 57.345 0.094 0.000 1.259 63 W CB 0.635 30.262 29.460 0.278 0.000 1.133 63 W HN 0.449 nan 8.180 nan 0.000 0.592 64 I N 2.530 123.314 120.570 0.358 0.000 2.478 64 I HA 0.394 4.379 4.170 -0.309 0.000 0.287 64 I C -0.205 176.015 176.117 0.171 0.000 1.042 64 I CA -1.198 60.241 61.300 0.233 0.000 1.067 64 I CB 1.386 39.452 38.000 0.109 0.000 1.233 64 I HN 0.435 nan 8.210 nan 0.000 0.431 65 A N 3.314 126.202 122.820 0.114 0.000 2.320 65 A HA 0.512 4.646 4.320 -0.309 0.000 0.287 65 A C 0.903 178.486 177.584 -0.001 0.000 1.181 65 A CA -0.108 51.953 52.037 0.040 0.000 0.831 65 A CB 0.256 19.256 19.000 -0.000 0.000 1.102 65 A HN 0.867 nan 8.150 nan 0.000 0.513 66 T N -0.274 114.254 114.554 -0.043 0.000 3.023 66 T HA 0.248 4.412 4.350 -0.309 0.000 0.253 66 T C 0.586 175.242 174.700 -0.073 0.000 1.038 66 T CA -0.096 61.961 62.100 -0.072 0.000 0.962 66 T CB 0.096 68.888 68.868 -0.127 0.000 1.018 66 T HN 0.518 nan 8.240 nan 0.000 0.521 67 R N 0.398 120.850 120.500 -0.080 0.000 2.670 67 R HA 0.589 4.744 4.340 -0.309 0.000 0.289 67 R C 1.498 177.751 176.300 -0.078 0.000 0.965 67 R CA -0.268 55.781 56.100 -0.086 0.000 0.899 67 R CB 1.232 31.465 30.300 -0.112 0.000 1.173 67 R HN 0.226 nan 8.270 nan 0.000 0.456 68 G N 1.163 109.922 108.800 -0.069 0.000 2.469 68 G HA2 -0.329 3.446 3.960 -0.309 0.000 0.219 68 G HA3 -0.329 3.446 3.960 -0.309 0.000 0.219 68 G C 1.064 175.919 174.900 -0.075 0.000 1.150 68 G CA 0.669 45.730 45.100 -0.065 0.000 0.763 68 G HN 0.619 nan 8.290 nan 0.000 0.561 69 Q N -0.625 119.125 119.800 -0.083 0.000 2.061 69 Q HA -0.109 4.046 4.340 -0.309 0.000 0.204 69 Q C 2.584 178.538 176.000 -0.077 0.000 0.984 69 Q CA 1.274 57.030 55.803 -0.079 0.000 0.846 69 Q CB -0.163 28.520 28.738 -0.092 0.000 0.902 69 Q HN 0.439 nan 8.270 nan 0.000 0.421 70 L N 0.156 121.299 121.223 -0.134 0.000 2.109 70 L HA -0.132 4.023 4.340 -0.309 0.000 0.207 70 L C 2.188 179.057 176.870 -0.001 0.000 1.086 70 L CA 1.065 55.849 54.840 -0.093 0.000 0.760 70 L CB -0.297 41.649 42.059 -0.188 0.000 0.910 70 L HN 0.254 nan 8.230 nan 0.000 0.437 71 I N -0.971 119.569 120.570 -0.050 0.000 2.127 71 I HA -0.341 3.644 4.170 -0.309 0.000 0.241 71 I C 2.663 178.793 176.117 0.022 0.000 1.075 71 I CA 1.288 62.552 61.300 -0.060 0.000 1.334 71 I CB -0.284 37.722 38.000 0.011 0.000 1.040 71 I HN 0.178 nan 8.210 nan 0.000 0.405 72 R N 0.540 121.050 120.500 0.016 0.000 2.080 72 R HA -0.205 3.949 4.340 -0.309 0.000 0.236 72 R C 2.284 178.700 176.300 0.194 0.000 1.137 72 R CA 1.793 57.891 56.100 -0.004 0.000 0.943 72 R CB -0.401 29.743 30.300 -0.260 0.000 0.846 72 R HN 0.410 nan 8.270 nan 0.000 0.431 73 E N 0.084 120.376 120.200 0.153 0.000 2.070 73 E HA -0.237 3.927 4.350 -0.309 0.000 0.197 73 E C 2.026 178.730 176.600 0.173 0.000 1.004 73 E CA 1.382 57.929 56.400 0.246 0.000 0.805 73 E CB -0.133 29.791 29.700 0.373 0.000 0.744 73 E HN 0.402 nan 8.360 nan 0.000 0.451 74 A N 0.330 123.091 122.820 -0.099 0.000 1.898 74 A HA -0.179 3.956 4.320 -0.309 0.000 0.216 74 A C 1.817 179.239 177.584 -0.270 0.000 1.181 74 A CA 1.197 52.831 52.037 -0.672 0.000 0.620 74 A CB -0.684 17.484 19.000 -1.386 0.000 0.819 74 A HN 0.267 nan 8.150 nan 0.000 0.442 75 Y N 0.402 120.708 120.300 0.010 0.000 2.352 75 Y HA -0.105 4.260 4.550 -0.309 0.000 0.292 75 Y C 2.358 178.379 175.900 0.201 0.000 1.136 75 Y CA 1.277 59.461 58.100 0.139 0.000 1.227 75 Y CB -0.360 38.219 38.460 0.199 0.000 0.991 75 Y HN 0.482 nan 8.280 nan 0.000 0.545 76 E N -0.666 119.754 120.200 0.367 0.000 2.072 76 E HA -0.161 4.004 4.350 -0.309 0.000 0.190 76 E C 0.532 177.301 176.600 0.282 0.000 0.982 76 E CA 1.047 57.617 56.400 0.283 0.000 0.803 76 E CB -0.016 29.845 29.700 0.269 0.000 0.755 76 E HN 0.133 nan 8.360 nan 0.000 0.453 77 D N 0.168 120.730 120.400 0.270 0.000 2.631 77 D HA -0.027 4.428 4.640 -0.309 0.000 0.227 77 D C 0.441 176.853 176.300 0.187 0.000 1.146 77 D CA -0.325 53.795 54.000 0.199 0.000 1.009 77 D CB -0.237 40.761 40.800 0.331 0.000 1.057 77 D HN 0.226 nan 8.370 nan 0.000 0.509 78 Y N 0.526 120.923 120.300 0.162 0.000 2.497 78 Y HA 0.042 4.407 4.550 -0.309 0.000 0.292 78 Y C 1.789 177.708 175.900 0.032 0.000 1.137 78 Y CA 0.490 58.673 58.100 0.138 0.000 1.285 78 Y CB -0.256 38.276 38.460 0.120 0.000 0.991 78 Y HN 0.029 nan 8.280 nan 0.000 0.556 79 R N -0.307 119.805 120.500 -0.646 0.000 2.092 79 R HA -0.082 4.073 4.340 -0.309 0.000 0.231 79 R C 1.473 177.462 176.300 -0.518 0.000 1.119 79 R CA 1.900 57.657 56.100 -0.572 0.000 0.970 79 R CB -0.383 29.488 30.300 -0.715 0.000 0.864 79 R HN 0.566 nan 8.270 nan 0.000 0.440 80 H N -1.821 117.002 119.070 -0.411 0.000 2.451 80 H HA 0.102 4.472 4.556 -0.309 0.000 0.294 80 H C -0.211 174.735 175.328 -0.636 0.000 1.028 80 H CA 0.400 56.055 56.048 -0.655 0.000 1.349 80 H CB 0.417 29.485 29.762 -1.157 0.000 1.444 80 H HN -0.036 nan 8.280 nan 0.000 0.538 81 F N 1.045 120.992 119.950 -0.006 0.000 2.311 81 F HA 0.299 4.641 4.527 -0.308 0.000 0.371 81 F C 0.244 176.082 175.800 0.063 0.000 1.083 81 F CA -0.724 57.278 58.000 0.004 0.000 1.113 81 F CB 1.208 40.173 39.000 -0.058 0.000 1.349 81 F HN -0.097 nan 8.300 nan 0.000 0.470 82 S N 1.031 116.833 115.700 0.171 0.000 2.585 82 S HA 0.281 4.566 4.470 -0.309 0.000 0.277 82 S C 0.999 175.668 174.600 0.115 0.000 1.241 82 S CA -0.525 57.765 58.200 0.149 0.000 1.041 82 S CB 1.196 64.448 63.200 0.087 0.000 0.987 82 S HN 0.507 nan 8.310 nan 0.000 0.512 83 S N 2.807 118.564 115.700 0.096 0.000 2.593 83 S HA 0.077 4.362 4.470 -0.309 0.000 0.217 83 S C 1.440 176.002 174.600 -0.063 0.000 0.966 83 S CA -0.070 58.112 58.200 -0.031 0.000 0.914 83 S CB -0.182 62.933 63.200 -0.142 0.000 0.776 83 S HN 0.842 nan 8.310 nan 0.000 0.523 84 E N 0.064 120.261 120.200 -0.005 0.000 2.209 84 E HA -0.118 4.047 4.350 -0.309 0.000 0.196 84 E C 0.137 176.705 176.600 -0.053 0.000 0.993 84 E CA 0.631 57.022 56.400 -0.016 0.000 0.819 84 E CB 0.120 29.829 29.700 0.015 0.000 0.745 84 E HN 0.309 nan 8.360 nan 0.000 0.477 85 C N 1.180 120.445 119.300 -0.058 0.000 3.003 85 C HA 0.328 4.603 4.460 -0.309 0.000 0.241 85 C C -1.931 172.972 174.990 -0.144 0.000 1.224 85 C CA -1.502 57.470 59.018 -0.076 0.000 1.560 85 C CB 0.506 28.244 27.740 -0.003 0.000 1.768 85 C HN 0.283 nan 8.230 nan 0.000 0.440 86 P HA 0.149 nan 4.420 nan 0.000 0.249 86 P C -0.196 176.845 177.300 -0.432 0.000 1.229 86 P CA 0.516 63.323 63.100 -0.489 0.000 0.788 86 P CB 0.164 31.372 31.700 -0.819 0.000 1.072 87 F N -0.193 119.768 119.950 0.018 0.000 2.532 87 F HA 0.431 4.773 4.527 -0.308 0.000 0.321 87 F C 0.456 176.255 175.800 -0.002 0.000 1.089 87 F CA -1.916 56.093 58.000 0.015 0.000 0.926 87 F CB 0.827 39.834 39.000 0.011 0.000 1.168 87 F HN -0.387 nan 8.300 nan 0.000 0.459 88 I N 4.185 124.868 120.570 0.188 0.000 2.359 88 I HA 0.470 4.455 4.170 -0.309 0.000 0.294 88 I C -2.032 174.203 176.117 0.197 0.000 0.987 88 I CA -2.045 59.290 61.300 0.058 0.000 1.225 88 I CB 0.891 38.742 38.000 -0.249 0.000 1.366 88 I HN 0.379 nan 8.210 nan 0.000 0.466 98 F N 1.486 121.520 119.950 0.139 0.000 2.553 98 F HA 0.369 4.711 4.527 -0.308 0.000 0.356 98 F C 1.321 177.134 175.800 0.022 0.000 1.142 98 F CA -0.222 57.840 58.000 0.104 0.000 1.322 98 F CB 0.420 39.501 39.000 0.134 0.000 1.126 98 F HN -0.094 nan 8.300 nan 0.000 0.599 99 I N 4.758 125.446 120.570 0.197 0.000 2.493 99 I HA 0.263 4.247 4.170 -0.309 0.000 0.298 99 I C -1.721 174.419 176.117 0.038 0.000 0.998 99 I CA -1.718 59.577 61.300 -0.008 0.000 1.137 99 I CB 2.185 40.012 38.000 -0.289 0.000 1.310 99 I HN 0.370 nan 8.210 nan 0.000 0.445 100 P HA 0.072 nan 4.420 nan 0.000 0.263 100 P C 1.033 178.444 177.300 0.184 0.000 1.448 100 P CA 0.038 63.195 63.100 0.095 0.000 0.983 100 P CB -0.152 31.639 31.700 0.151 0.000 1.481 101 T N -3.332 111.311 114.554 0.148 0.000 2.822 101 T HA -0.104 4.060 4.350 -0.309 0.000 0.270 101 T C 1.542 176.199 174.700 -0.072 0.000 1.064 101 T CA 1.369 63.506 62.100 0.061 0.000 1.131 101 T CB -0.943 67.977 68.868 0.088 0.000 0.858 101 T HN 0.008 nan 8.240 nan 0.000 0.483 102 S N 0.525 116.230 115.700 0.008 0.000 2.568 102 S HA 0.458 4.743 4.470 -0.309 0.000 0.232 102 S C 0.217 174.839 174.600 0.037 0.000 0.975 102 S CA -0.423 57.758 58.200 -0.032 0.000 0.949 102 S CB -0.181 63.001 63.200 -0.030 0.000 0.829 102 S HN 0.485 nan 8.310 nan 0.000 0.479 103 M N 1.725 121.404 119.600 0.132 0.000 2.364 103 M HA 0.395 4.689 4.480 -0.309 0.000 0.334 103 M C -0.890 175.542 176.300 0.220 0.000 1.107 103 M CA -0.693 54.696 55.300 0.149 0.000 0.988 103 M CB 1.265 33.948 32.600 0.139 0.000 1.673 103 M HN -0.070 nan 8.290 nan 0.000 0.441 104 D N 2.850 123.338 120.400 0.145 0.000 2.348 104 D HA 0.372 4.827 4.640 -0.309 0.000 0.249 104 D C -2.351 173.921 176.300 -0.047 0.000 1.110 104 D CA -1.186 52.872 54.000 0.097 0.000 0.967 104 D CB 0.544 41.433 40.800 0.148 0.000 1.139 104 D HN 0.191 nan 8.370 nan 0.000 0.466 105 P HA 0.073 nan 4.420 nan 0.000 0.267 105 P C -1.760 175.477 177.300 -0.104 0.000 1.200 105 P CA -0.652 62.278 63.100 -0.283 0.000 0.772 105 P CB 0.200 31.526 31.700 -0.623 0.000 0.855 106 P HA 0.033 nan 4.420 nan 0.000 0.264 106 P C 0.870 178.141 177.300 -0.048 0.000 1.259 106 P CA 0.430 63.489 63.100 -0.068 0.000 0.841 106 P CB 0.279 31.958 31.700 -0.036 0.000 1.232 107 E N 0.661 120.862 120.200 0.000 0.000 2.150 107 E HA -0.222 3.943 4.350 -0.309 0.000 0.193 107 E C 2.110 178.768 176.600 0.096 0.000 0.985 107 E CA 0.565 56.994 56.400 0.048 0.000 0.814 107 E CB -0.652 29.131 29.700 0.139 0.000 0.752 107 E HN 0.174 nan 8.360 nan 0.000 0.466 108 Q N 1.234 121.080 119.800 0.076 0.000 2.135 108 Q HA -0.199 3.956 4.340 -0.309 0.000 0.204 108 Q C 2.225 178.232 176.000 0.012 0.000 0.981 108 Q CA 1.496 57.348 55.803 0.082 0.000 0.856 108 Q CB -0.024 28.665 28.738 -0.082 0.000 0.902 108 Q HN 0.329 nan 8.270 nan 0.000 0.425 109 R N -0.294 120.162 120.500 -0.074 0.000 2.127 109 R HA -0.163 3.991 4.340 -0.309 0.000 0.238 109 R C 2.446 178.684 176.300 -0.103 0.000 1.134 109 R CA 1.506 57.550 56.100 -0.094 0.000 0.975 109 R CB -0.028 30.209 30.300 -0.105 0.000 0.865 109 R HN 0.390 nan 8.270 nan 0.000 0.447 110 Q N -0.249 119.446 119.800 -0.175 0.000 2.016 110 Q HA -0.131 4.024 4.340 -0.309 0.000 0.200 110 Q C 2.066 177.894 176.000 -0.288 0.000 0.978 110 Q CA 1.546 57.158 55.803 -0.318 0.000 0.833 110 Q CB -0.331 28.057 28.738 -0.583 0.000 0.895 110 Q HN 0.334 nan 8.270 nan 0.000 0.427 111 F N 0.822 120.760 119.950 -0.019 0.000 2.234 111 F HA -0.039 4.302 4.527 -0.309 0.000 0.299 111 F C 2.612 178.406 175.800 -0.010 0.000 1.087 111 F CA 0.771 58.767 58.000 -0.006 0.000 1.340 111 F CB -0.385 38.621 39.000 0.011 0.000 1.031 111 F HN 0.018 nan 8.300 nan 0.000 0.500 112 R N 0.513 121.092 120.500 0.132 0.000 2.081 112 R HA -0.136 4.019 4.340 -0.309 0.000 0.235 112 R C 2.386 178.698 176.300 0.019 0.000 1.131 112 R CA 1.261 57.392 56.100 0.053 0.000 0.960 112 R CB -0.482 29.813 30.300 -0.008 0.000 0.856 112 R HN 0.254 nan 8.270 nan 0.000 0.436 113 A N 0.788 123.602 122.820 -0.011 0.000 1.933 113 A HA -0.171 3.963 4.320 -0.309 0.000 0.218 113 A C 1.978 179.557 177.584 -0.007 0.000 1.175 113 A CA 1.194 53.217 52.037 -0.023 0.000 0.628 113 A CB -0.527 18.442 19.000 -0.051 0.000 0.814 113 A HN 0.360 nan 8.150 nan 0.000 0.444 114 L N -0.334 120.893 121.223 0.007 0.000 2.027 114 L HA 0.037 4.192 4.340 -0.309 0.000 0.206 114 L C 2.677 179.572 176.870 0.041 0.000 1.074 114 L CA 2.135 56.990 54.840 0.024 0.000 0.745 114 L CB -0.924 41.162 42.059 0.046 0.000 0.898 114 L HN 0.323 nan 8.230 nan 0.000 0.433 115 A N -0.510 122.348 122.820 0.063 0.000 1.978 115 A HA -0.282 3.852 4.320 -0.309 0.000 0.220 115 A C 2.162 179.767 177.584 0.035 0.000 1.170 115 A CA 1.911 53.983 52.037 0.057 0.000 0.636 115 A CB -1.037 18.005 19.000 0.069 0.000 0.810 115 A HN 0.619 nan 8.150 nan 0.000 0.448 116 N N -0.200 118.515 118.700 0.025 0.000 2.381 116 N HA -0.145 4.410 4.740 -0.309 0.000 0.182 116 N C 1.765 177.280 175.510 0.010 0.000 1.025 116 N CA 1.380 54.440 53.050 0.017 0.000 0.888 116 N CB -0.264 38.229 38.487 0.010 0.000 0.965 116 N HN 0.650 nan 8.380 nan 0.000 0.438 117 Q N -0.724 119.079 119.800 0.006 0.000 2.369 117 Q HA -0.046 4.108 4.340 -0.309 0.000 0.206 117 Q C 1.792 177.790 176.000 -0.003 0.000 0.963 117 Q CA 1.197 56.999 55.803 -0.002 0.000 0.894 117 Q CB 0.240 28.975 28.738 -0.005 0.000 0.965 117 Q HN 0.480 nan 8.270 nan 0.000 0.475 118 V N -3.160 116.757 119.914 0.005 0.000 3.263 118 V HA 0.067 4.002 4.120 -0.309 0.000 0.248 118 V C 1.545 177.640 176.094 0.001 0.000 1.145 118 V CA 0.576 62.876 62.300 -0.001 0.000 1.107 118 V CB 0.464 32.290 31.823 0.004 0.000 0.797 118 V HN 0.200 nan 8.190 nan 0.000 0.467 119 V N -1.782 118.140 119.914 0.014 0.000 3.346 119 V HA 0.694 4.628 4.120 -0.309 0.000 0.309 119 V C 1.101 177.217 176.094 0.035 0.000 1.457 119 V CA 0.151 62.462 62.300 0.020 0.000 1.069 119 V CB -0.658 31.180 31.823 0.025 0.000 0.944 119 V HN 0.466 nan 8.190 nan 0.000 0.449 120 G N -0.149 108.669 108.800 0.030 0.000 2.667 120 G HA2 0.293 4.067 3.960 -0.309 0.000 0.250 120 G HA3 0.293 4.067 3.960 -0.309 0.000 0.250 120 G C 0.531 175.426 174.900 -0.007 0.000 1.212 120 G CA 0.252 45.376 45.100 0.040 0.000 0.874 120 G HN 0.193 nan 8.290 nan 0.000 0.561 121 M N 1.340 120.875 119.600 -0.107 0.000 2.089 121 M HA -0.077 4.217 4.480 -0.309 0.000 0.257 121 M C -0.216 176.021 176.300 -0.106 0.000 1.071 121 M CA 2.033 57.207 55.300 -0.210 0.000 1.096 121 M CB -0.998 31.343 32.600 -0.430 0.000 1.330 121 M HN 0.363 nan 8.290 nan 0.000 0.403 122 P HA -0.097 nan 4.420 nan 0.000 0.217 122 P C 1.769 179.047 177.300 -0.036 0.000 1.150 122 P CA 1.214 64.283 63.100 -0.053 0.000 0.832 122 P CB -0.158 31.515 31.700 -0.045 0.000 0.787 123 V N -0.444 119.452 119.914 -0.029 0.000 2.358 123 V HA -0.180 3.755 4.120 -0.309 0.000 0.246 123 V C 2.487 178.571 176.094 -0.016 0.000 1.047 123 V CA 1.620 63.907 62.300 -0.021 0.000 1.035 123 V CB -1.163 30.649 31.823 -0.018 0.000 0.658 123 V HN -0.044 nan 8.190 nan 0.000 0.452 124 V N 0.273 120.180 119.914 -0.011 0.000 2.332 124 V HA -0.269 3.666 4.120 -0.309 0.000 0.248 124 V C 2.284 178.379 176.094 0.000 0.000 1.055 124 V CA 2.195 64.497 62.300 0.002 0.000 1.038 124 V CB -0.736 31.100 31.823 0.020 0.000 0.651 124 V HN 0.557 nan 8.190 nan 0.000 0.450 125 D N -0.032 120.360 120.400 -0.014 0.000 2.144 125 D HA -0.146 4.309 4.640 -0.309 0.000 0.199 125 D C 2.247 178.544 176.300 -0.005 0.000 0.984 125 D CA 1.131 55.124 54.000 -0.010 0.000 0.834 125 D CB -0.202 40.584 40.800 -0.023 0.000 0.955 125 D HN 0.424 nan 8.370 nan 0.000 0.465 126 K N 0.010 120.404 120.400 -0.010 0.000 2.147 126 K HA -0.010 4.125 4.320 -0.309 0.000 0.205 126 K C 1.851 178.449 176.600 -0.003 0.000 1.049 126 K CA 0.571 56.853 56.287 -0.008 0.000 0.936 126 K CB 0.052 32.543 32.500 -0.014 0.000 0.722 126 K HN 0.173 nan 8.250 nan 0.000 0.446 127 L N 0.265 121.487 121.223 -0.002 0.000 2.607 127 L HA 0.060 4.214 4.340 -0.309 0.000 0.228 127 L C 2.045 178.927 176.870 0.020 0.000 1.123 127 L CA -0.008 54.833 54.840 0.002 0.000 0.890 127 L CB -0.004 42.049 42.059 -0.011 0.000 1.103 127 L HN 0.179 nan 8.230 nan 0.000 0.468 128 E N 0.996 121.212 120.200 0.027 0.000 2.097 128 E HA -0.248 3.916 4.350 -0.309 0.000 0.196 128 E C 1.475 178.111 176.600 0.060 0.000 1.000 128 E CA 1.435 57.864 56.400 0.048 0.000 0.804 128 E CB 0.235 29.962 29.700 0.044 0.000 0.740 128 E HN 0.492 nan 8.360 nan 0.000 0.454 129 N N 0.101 118.828 118.700 0.045 0.000 2.354 129 N HA -0.066 4.489 4.740 -0.309 0.000 0.179 129 N C 1.698 177.240 175.510 0.053 0.000 1.021 129 N CA 0.463 53.542 53.050 0.049 0.000 0.887 129 N CB -0.143 38.365 38.487 0.035 0.000 0.974 129 N HN 0.010 nan 8.380 nan 0.000 0.437 130 R N 1.153 121.678 120.500 0.041 0.000 2.081 130 R HA 0.104 4.258 4.340 -0.309 0.000 0.235 130 R C 2.096 178.437 176.300 0.067 0.000 1.131 130 R CA 0.623 56.747 56.100 0.040 0.000 0.960 130 R CB -0.800 29.509 30.300 0.015 0.000 0.856 130 R HN 0.296 nan 8.270 nan 0.000 0.436 131 I N 0.294 120.912 120.570 0.080 0.000 2.226 131 I HA -0.297 3.688 4.170 -0.309 0.000 0.245 131 I C 2.585 178.849 176.117 0.247 0.000 1.100 131 I CA 1.257 62.645 61.300 0.145 0.000 1.374 131 I CB -0.360 37.722 38.000 0.137 0.000 1.057 131 I HN 0.244 nan 8.210 nan 0.000 0.413 132 Q N 1.320 121.223 119.800 0.172 0.000 2.050 132 Q HA -0.245 3.910 4.340 -0.309 0.000 0.202 132 Q C 1.987 178.067 176.000 0.134 0.000 0.980 132 Q CA 1.866 57.761 55.803 0.153 0.000 0.840 132 Q CB -0.039 28.761 28.738 0.102 0.000 0.898 132 Q HN 0.566 nan 8.270 nan 0.000 0.424 133 E N 0.375 120.638 120.200 0.105 0.000 2.110 133 E HA -0.197 3.968 4.350 -0.309 0.000 0.193 133 E C 2.042 178.705 176.600 0.106 0.000 0.988 133 E CA 1.107 57.558 56.400 0.084 0.000 0.804 133 E CB -0.163 29.572 29.700 0.059 0.000 0.745 133 E HN 0.194 nan 8.360 nan 0.000 0.458 134 L N 0.966 122.277 121.223 0.146 0.000 2.017 134 L HA -0.120 4.035 4.340 -0.309 0.000 0.208 134 L C 2.197 179.201 176.870 0.223 0.000 1.073 134 L CA 2.110 57.059 54.840 0.181 0.000 0.745 134 L CB -0.725 41.457 42.059 0.205 0.000 0.894 134 L HN 0.052 nan 8.230 nan 0.000 0.432 135 A N -1.084 121.909 122.820 0.287 0.000 1.883 135 A HA -0.252 3.883 4.320 -0.309 0.000 0.217 135 A C 2.411 180.090 177.584 0.159 0.000 1.186 135 A CA 1.948 54.094 52.037 0.183 0.000 0.624 135 A CB -1.552 17.527 19.000 0.132 0.000 0.822 135 A HN 0.654 nan 8.150 nan 0.000 0.444 136 C N -0.111 119.253 119.300 0.107 0.000 2.413 136 C HA -0.119 4.156 4.460 -0.309 0.000 0.277 136 C C 3.486 178.503 174.990 0.044 0.000 1.228 136 C CA 1.616 60.665 59.018 0.051 0.000 1.731 136 C CB -1.266 26.497 27.740 0.039 0.000 2.042 136 C HN 0.815 nan 8.230 nan 0.000 0.468 137 S N 0.767 116.503 115.700 0.060 0.000 2.382 137 S HA -0.113 4.172 4.470 -0.309 0.000 0.228 137 S C 1.724 176.358 174.600 0.057 0.000 1.027 137 S CA 1.448 59.677 58.200 0.048 0.000 0.991 137 S CB -0.754 62.474 63.200 0.048 0.000 0.823 137 S HN 0.634 nan 8.310 nan 0.000 0.469 138 L N 0.559 121.834 121.223 0.086 0.000 2.017 138 L HA 0.006 4.161 4.340 -0.309 0.000 0.208 138 L C 2.665 179.619 176.870 0.140 0.000 1.073 138 L CA 1.448 56.354 54.840 0.111 0.000 0.745 138 L CB -0.498 41.606 42.059 0.076 0.000 0.894 138 L HN 0.317 nan 8.230 nan 0.000 0.432 139 I N -0.527 120.111 120.570 0.114 0.000 2.252 139 I HA -0.251 3.734 4.170 -0.309 0.000 0.245 139 I C 2.566 178.600 176.117 -0.138 0.000 1.102 139 I CA 0.929 62.173 61.300 -0.095 0.000 1.385 139 I CB -0.174 37.677 38.000 -0.250 0.000 1.064 139 I HN 0.238 nan 8.210 nan 0.000 0.414 140 E N 1.214 121.373 120.200 -0.069 0.000 2.110 140 E HA -0.211 3.953 4.350 -0.309 0.000 0.193 140 E C 2.214 178.812 176.600 -0.004 0.000 0.988 140 E CA 1.841 58.212 56.400 -0.049 0.000 0.804 140 E CB -0.185 29.500 29.700 -0.025 0.000 0.745 140 E HN 0.506 nan 8.360 nan 0.000 0.458 141 S N -0.664 115.050 115.700 0.024 0.000 2.423 141 S HA -0.072 4.213 4.470 -0.309 0.000 0.231 141 S C 1.984 176.631 174.600 0.078 0.000 1.014 141 S CA 0.928 59.157 58.200 0.047 0.000 0.965 141 S CB -0.322 62.909 63.200 0.051 0.000 0.785 141 S HN 0.310 nan 8.310 nan 0.000 0.495 142 L N 0.617 121.900 121.223 0.099 0.000 2.202 142 L HA 0.224 4.378 4.340 -0.309 0.000 0.205 142 L C 2.951 180.008 176.870 0.311 0.000 1.083 142 L CA 0.623 55.587 54.840 0.206 0.000 0.790 142 L CB -0.478 41.742 42.059 0.268 0.000 0.942 142 L HN 0.257 nan 8.230 nan 0.000 0.452 143 R N 1.085 121.673 120.500 0.146 0.000 2.133 143 R HA -0.197 3.958 4.340 -0.309 0.000 0.245 143 R C -0.642 175.884 176.300 0.377 0.000 1.137 143 R CA 2.282 58.494 56.100 0.187 0.000 0.947 143 R CB -1.270 28.986 30.300 -0.074 0.000 0.865 143 R HN 0.240 nan 8.270 nan 0.000 0.437 144 P HA -0.075 nan 4.420 nan 0.000 0.234 144 P C 0.348 177.682 177.300 0.057 0.000 1.167 144 P CA 0.937 64.106 63.100 0.115 0.000 0.763 144 P CB 0.078 31.814 31.700 0.060 0.000 0.835 145 Q N -0.680 119.152 119.800 0.054 0.000 2.311 145 Q HA 0.071 4.225 4.340 -0.309 0.000 0.203 145 Q C 1.866 177.671 176.000 -0.324 0.000 0.954 145 Q CA 1.161 56.914 55.803 -0.083 0.000 0.885 145 Q CB -0.811 27.903 28.738 -0.040 0.000 0.963 145 Q HN 0.338 nan 8.270 nan 0.000 0.471 146 G N 1.838 110.265 108.800 -0.622 0.000 2.189 146 G HA2 -0.311 3.464 3.960 -0.309 0.000 0.267 146 G HA3 -0.311 3.464 3.960 -0.309 0.000 0.267 146 G C 0.098 174.006 174.900 -1.654 0.000 0.975 146 G CA 1.008 45.313 45.100 -1.326 0.000 0.644 146 G HN 0.484 nan 8.290 nan 0.000 0.537 147 Q N -1.590 117.358 119.800 -1.420 0.000 2.578 147 Q HA 0.635 4.790 4.340 -0.309 0.000 0.284 147 Q C -0.409 175.414 176.000 -0.294 0.000 0.960 147 Q CA -0.719 54.594 55.803 -0.817 0.000 0.809 147 Q CB 1.741 30.266 28.738 -0.356 0.000 1.462 147 Q HN 1.415 nan 8.270 nan 0.000 0.392 148 C N -0.215 119.131 119.300 0.076 0.000 3.312 148 C HA 0.658 4.933 4.460 -0.309 0.000 0.332 148 C C -1.463 173.655 174.990 0.215 0.000 1.340 148 C CA -0.936 58.223 59.018 0.235 0.000 1.265 148 C CB 1.359 29.383 27.740 0.473 0.000 1.563 148 C HN 0.976 nan 8.230 nan 0.000 0.471 149 N N 0.918 119.717 118.700 0.164 0.000 2.469 149 N HA 0.244 4.798 4.740 -0.309 0.000 0.239 149 N C 0.191 175.805 175.510 0.172 0.000 1.053 149 N CA -1.094 52.043 53.050 0.145 0.000 0.937 149 N CB 0.195 38.730 38.487 0.081 0.000 1.163 149 N HN 0.771 nan 8.380 nan 0.000 0.509 150 F N 3.522 123.510 119.950 0.063 0.000 2.091 150 F HA -0.220 4.102 4.527 -0.342 0.000 0.299 150 F C 1.793 177.611 175.800 0.029 0.000 1.103 150 F CA 1.764 59.774 58.000 0.017 0.000 1.228 150 F CB -0.410 38.489 39.000 -0.169 0.000 0.984 150 F HN 0.419 nan 8.300 nan 0.000 0.477 151 T N -0.406 114.146 114.554 -0.002 0.000 2.684 151 T HA -0.266 3.898 4.350 -0.309 0.000 0.267 151 T C 1.694 176.316 174.700 -0.131 0.000 1.036 151 T CA 1.835 63.877 62.100 -0.096 0.000 1.148 151 T CB -0.388 68.472 68.868 -0.014 0.000 0.863 151 T HN 0.319 nan 8.240 nan 0.000 0.436 152 E N 0.923 121.089 120.200 -0.058 0.000 2.112 152 E HA -0.092 4.073 4.350 -0.309 0.000 0.190 152 E C 1.615 178.189 176.600 -0.043 0.000 0.979 152 E CA 1.059 57.437 56.400 -0.038 0.000 0.814 152 E CB -0.091 29.610 29.700 0.001 0.000 0.762 152 E HN 0.335 nan 8.360 nan 0.000 0.460 153 D N -1.493 118.893 120.400 -0.024 0.000 2.301 153 D HA -0.023 4.432 4.640 -0.309 0.000 0.206 153 D C 0.957 177.271 176.300 0.023 0.000 0.979 153 D CA 0.612 54.632 54.000 0.033 0.000 0.874 153 D CB 0.184 41.061 40.800 0.128 0.000 0.968 153 D HN 0.253 nan 8.370 nan 0.000 0.510 154 Y N 0.607 120.740 120.300 -0.279 0.000 2.769 154 Y HA 0.374 4.766 4.550 -0.263 0.000 0.266 154 Y C 2.120 177.776 175.900 -0.406 0.000 1.091 154 Y CA 0.700 58.594 58.100 -0.343 0.000 1.272 154 Y CB -0.198 38.017 38.460 -0.408 0.000 1.469 154 Y HN -0.133 nan 8.280 nan 0.000 0.475 155 A N 0.778 123.285 122.820 -0.523 0.000 1.908 155 A HA -0.174 3.960 4.320 -0.309 0.000 0.218 155 A C 1.927 179.440 177.584 -0.119 0.000 1.181 155 A CA 2.172 54.039 52.037 -0.283 0.000 0.627 155 A CB -0.619 18.189 19.000 -0.321 0.000 0.818 155 A HN 0.657 nan 8.150 nan 0.000 0.445 156 E N -0.751 119.367 120.200 -0.137 0.000 2.028 156 E HA -0.099 4.066 4.350 -0.309 0.000 0.190 156 E C -0.568 175.991 176.600 -0.069 0.000 0.984 156 E CA 1.094 57.447 56.400 -0.079 0.000 0.800 156 E CB -0.808 28.851 29.700 -0.068 0.000 0.758 156 E HN 0.458 nan 8.360 nan 0.000 0.448 157 P HA -0.137 nan 4.420 nan 0.000 0.220 157 P C 0.995 178.265 177.300 -0.050 0.000 1.148 157 P CA 0.809 63.869 63.100 -0.067 0.000 0.803 157 P CB -0.015 31.641 31.700 -0.073 0.000 0.782 158 F N 2.344 122.116 119.950 -0.296 0.000 2.039 158 F HA -0.057 4.299 4.527 -0.285 0.000 0.294 158 F C -0.844 174.886 175.800 -0.116 0.000 1.130 158 F CA 1.377 59.199 58.000 -0.295 0.000 1.189 158 F CB -1.818 36.877 39.000 -0.508 0.000 0.983 158 F HN -0.014 nan 8.300 nan 0.000 0.471 159 P HA -0.155 nan 4.420 nan 0.000 0.219 159 P C 2.098 179.333 177.300 -0.107 0.000 1.150 159 P CA 1.345 64.322 63.100 -0.205 0.000 0.814 159 P CB -0.231 31.430 31.700 -0.065 0.000 0.787 160 I N 0.239 120.770 120.570 -0.065 0.000 2.286 160 I HA -0.159 3.826 4.170 -0.309 0.000 0.248 160 I C 2.445 178.576 176.117 0.023 0.000 1.115 160 I CA 1.380 62.673 61.300 -0.012 0.000 1.392 160 I CB -0.548 37.433 38.000 -0.032 0.000 1.065 160 I HN -0.247 nan 8.210 nan 0.000 0.418 161 R N -0.191 120.286 120.500 -0.038 0.000 2.115 161 R HA 0.010 4.165 4.340 -0.309 0.000 0.226 161 R C 2.301 178.560 176.300 -0.068 0.000 1.100 161 R CA 1.403 57.482 56.100 -0.035 0.000 0.980 161 R CB -0.302 29.979 30.300 -0.031 0.000 0.875 161 R HN 0.364 nan 8.270 nan 0.000 0.445 162 I N -0.088 120.391 120.570 -0.151 0.000 2.226 162 I HA -0.287 3.697 4.170 -0.309 0.000 0.245 162 I C 2.025 178.111 176.117 -0.051 0.000 1.100 162 I CA 1.181 62.387 61.300 -0.156 0.000 1.374 162 I CB -0.200 37.630 38.000 -0.283 0.000 1.057 162 I HN 0.100 nan 8.210 nan 0.000 0.413 163 F N 1.374 121.258 119.950 -0.111 0.000 2.102 163 F HA -0.267 4.074 4.527 -0.311 0.000 0.298 163 F C 2.506 178.285 175.800 -0.035 0.000 1.105 163 F CA 1.600 59.561 58.000 -0.066 0.000 1.239 163 F CB -0.122 38.841 39.000 -0.061 0.000 0.991 163 F HN -0.066 nan 8.300 nan 0.000 0.474 164 M N 0.005 119.611 119.600 0.010 0.000 2.149 164 M HA -0.237 4.058 4.480 -0.309 0.000 0.261 164 M C 2.398 178.620 176.300 -0.131 0.000 1.064 164 M CA 1.344 56.613 55.300 -0.052 0.000 1.102 164 M CB -1.721 30.901 32.600 0.035 0.000 1.369 164 M HN 0.325 nan 8.290 nan 0.000 0.408 165 L N 0.030 121.185 121.223 -0.114 0.000 1.976 165 L HA -0.223 3.932 4.340 -0.309 0.000 0.209 165 L C 2.391 179.168 176.870 -0.155 0.000 1.071 165 L CA 1.543 56.320 54.840 -0.106 0.000 0.746 165 L CB -0.399 41.612 42.059 -0.081 0.000 0.890 165 L HN 0.259 nan 8.230 nan 0.000 0.432 166 L N -0.109 120.987 121.223 -0.212 0.000 2.042 166 L HA -0.213 3.942 4.340 -0.309 0.000 0.210 166 L C 2.435 179.125 176.870 -0.300 0.000 1.076 166 L CA 1.439 56.137 54.840 -0.237 0.000 0.749 166 L CB -0.542 41.367 42.059 -0.249 0.000 0.893 166 L HN 0.336 nan 8.230 nan 0.000 0.432 167 A N -0.747 121.789 122.820 -0.473 0.000 2.275 167 A HA 0.335 4.470 4.320 -0.309 0.000 0.212 167 A C 1.489 178.945 177.584 -0.214 0.000 1.201 167 A CA 0.503 52.281 52.037 -0.431 0.000 0.843 167 A CB -0.313 18.222 19.000 -0.774 0.000 0.873 167 A HN 0.465 nan 8.150 nan 0.000 0.492 168 G N -0.136 108.566 108.800 -0.163 0.000 2.350 168 G HA2 -0.208 3.567 3.960 -0.309 0.000 0.298 168 G HA3 -0.208 3.567 3.960 -0.309 0.000 0.298 168 G C -0.187 174.681 174.900 -0.052 0.000 1.037 168 G CA 0.617 45.664 45.100 -0.088 0.000 1.074 168 G HN 0.489 nan 8.290 nan 0.000 0.511 169 L N 0.634 121.834 121.223 -0.038 0.000 2.342 169 L HA 0.589 4.744 4.340 -0.309 0.000 0.271 169 L C -1.637 175.263 176.870 0.050 0.000 1.008 169 L CA -2.439 52.424 54.840 0.038 0.000 0.818 169 L CB 2.182 44.310 42.059 0.114 0.000 1.296 169 L HN 0.027 nan 8.230 nan 0.000 0.427 170 P HA 0.062 nan 4.420 nan 0.000 0.278 170 P C 0.150 177.489 177.300 0.064 0.000 1.238 170 P CA -0.372 62.762 63.100 0.057 0.000 0.794 170 P CB 1.176 32.911 31.700 0.059 0.000 0.955 171 E N 2.032 122.258 120.200 0.043 0.000 2.171 171 E HA -0.274 3.891 4.350 -0.309 0.000 0.197 171 E C 0.966 177.592 176.600 0.043 0.000 0.997 171 E CA 1.788 58.211 56.400 0.038 0.000 0.810 171 E CB -0.196 29.520 29.700 0.026 0.000 0.738 171 E HN 0.431 nan 8.360 nan 0.000 0.467 172 E N 0.568 120.796 120.200 0.046 0.000 2.338 172 E HA -0.143 4.021 4.350 -0.309 0.000 0.197 172 E C 1.158 177.793 176.600 0.058 0.000 1.007 172 E CA 1.223 57.649 56.400 0.045 0.000 0.849 172 E CB -0.001 29.723 29.700 0.040 0.000 0.774 172 E HN 0.375 nan 8.360 nan 0.000 0.506 173 D N -0.120 120.329 120.400 0.082 0.000 2.355 173 D HA 0.039 4.494 4.640 -0.309 0.000 0.218 173 D C 1.561 177.883 176.300 0.037 0.000 1.004 173 D CA 0.225 54.279 54.000 0.090 0.000 0.880 173 D CB 0.041 40.948 40.800 0.178 0.000 0.911 173 D HN 0.234 nan 8.370 nan 0.000 0.528 174 I N 1.436 122.028 120.570 0.036 0.000 2.127 174 I HA -0.207 3.777 4.170 -0.309 0.000 0.241 174 I C -0.567 175.554 176.117 0.005 0.000 1.075 174 I CA 1.199 62.507 61.300 0.014 0.000 1.334 174 I CB -1.294 36.717 38.000 0.018 0.000 1.040 174 I HN -0.011 nan 8.210 nan 0.000 0.405 175 P HA -0.234 nan 4.420 nan 0.000 0.215 175 P C 1.513 178.847 177.300 0.058 0.000 1.157 175 P CA 1.774 64.896 63.100 0.035 0.000 0.874 175 P CB -0.094 31.627 31.700 0.034 0.000 0.790 176 H N -1.205 117.844 119.070 -0.034 0.000 2.363 176 H HA -0.052 4.318 4.556 -0.309 0.000 0.301 176 H C 1.794 177.088 175.328 -0.056 0.000 1.074 176 H CA 1.140 57.166 56.048 -0.035 0.000 1.354 176 H CB -0.909 28.813 29.762 -0.066 0.000 1.397 176 H HN -0.135 nan 8.280 nan 0.000 0.516 177 L N 0.799 121.883 121.223 -0.231 0.000 2.046 177 L HA -0.119 4.035 4.340 -0.309 0.000 0.208 177 L C 2.332 179.060 176.870 -0.236 0.000 1.077 177 L CA 1.680 56.320 54.840 -0.334 0.000 0.747 177 L CB -0.718 41.163 42.059 -0.297 0.000 0.896 177 L HN 0.176 nan 8.230 nan 0.000 0.432 178 K N -1.310 119.010 120.400 -0.133 0.000 2.063 178 K HA -0.271 3.863 4.320 -0.309 0.000 0.208 178 K C 2.267 178.810 176.600 -0.094 0.000 1.048 178 K CA 1.880 58.110 56.287 -0.096 0.000 0.928 178 K CB -0.593 31.884 32.500 -0.039 0.000 0.713 178 K HN 0.376 nan 8.250 nan 0.000 0.442 179 Y N 1.593 121.783 120.300 -0.182 0.000 2.128 179 Y HA -0.204 4.160 4.550 -0.310 0.000 0.284 179 Y C 2.120 177.894 175.900 -0.210 0.000 1.154 179 Y CA 1.529 59.528 58.100 -0.169 0.000 1.149 179 Y CB -0.361 38.010 38.460 -0.148 0.000 0.976 179 Y HN -0.019 nan 8.280 nan 0.000 0.505 180 L N -0.517 120.534 121.223 -0.287 0.000 2.042 180 L HA -0.258 3.897 4.340 -0.309 0.000 0.210 180 L C 2.583 179.258 176.870 -0.325 0.000 1.076 180 L CA 2.148 56.783 54.840 -0.341 0.000 0.749 180 L CB -1.193 40.652 42.059 -0.357 0.000 0.893 180 L HN 0.406 nan 8.230 nan 0.000 0.432 181 T N -4.610 109.781 114.554 -0.272 0.000 2.904 181 T HA -0.138 4.027 4.350 -0.309 0.000 0.267 181 T C 1.498 176.080 174.700 -0.197 0.000 1.059 181 T CA 0.999 62.970 62.100 -0.216 0.000 1.137 181 T CB -0.298 68.453 68.868 -0.195 0.000 0.879 181 T HN 0.159 nan 8.240 nan 0.000 0.467 182 D N 1.257 121.516 120.400 -0.235 0.000 2.178 182 D HA -0.071 4.384 4.640 -0.309 0.000 0.201 182 D C 2.314 178.460 176.300 -0.257 0.000 0.980 182 D CA 0.864 54.729 54.000 -0.224 0.000 0.842 182 D CB -0.194 40.462 40.800 -0.240 0.000 0.948 182 D HN 0.339 nan 8.370 nan 0.000 0.472 183 Q N -0.559 119.021 119.800 -0.366 0.000 2.297 183 Q HA 0.080 4.234 4.340 -0.309 0.000 0.204 183 Q C 2.116 178.022 176.000 -0.157 0.000 0.962 183 Q CA 0.411 56.024 55.803 -0.316 0.000 0.879 183 Q CB -0.154 28.340 28.738 -0.407 0.000 0.947 183 Q HN 0.438 nan 8.270 nan 0.000 0.462 184 M N -0.380 119.141 119.600 -0.132 0.000 2.288 184 M HA -0.070 4.225 4.480 -0.309 0.000 0.266 184 M C 1.640 178.018 176.300 0.129 0.000 1.072 184 M CA 1.717 57.039 55.300 0.036 0.000 1.132 184 M CB 0.090 32.680 32.600 -0.016 0.000 1.386 184 M HN 0.210 nan 8.290 nan 0.000 0.432 185 T N -2.857 111.705 114.554 0.013 0.000 2.969 185 T HA 0.226 4.390 4.350 -0.309 0.000 0.250 185 T C 0.797 175.481 174.700 -0.026 0.000 1.021 185 T CA -0.275 61.825 62.100 -0.000 0.000 1.003 185 T CB 0.182 69.045 68.868 -0.008 0.000 1.040 185 T HN 0.248 nan 8.240 nan 0.000 0.492 186 R N 2.146 122.615 120.500 -0.053 0.000 2.674 186 R HA 0.351 4.505 4.340 -0.309 0.000 0.270 186 R C -3.004 173.251 176.300 -0.076 0.000 1.492 186 R CA -1.461 54.605 56.100 -0.056 0.000 1.624 186 R CB 0.690 30.958 30.300 -0.053 0.000 1.307 186 R HN 0.288 nan 8.270 nan 0.000 0.683 187 P HA -0.029 nan 4.420 nan 0.000 0.264 187 P C -0.378 176.891 177.300 -0.052 0.000 1.193 187 P CA 0.191 63.245 63.100 -0.076 0.000 0.763 187 P CB 0.983 32.658 31.700 -0.042 0.000 0.810 188 D N 1.685 122.056 120.400 -0.048 0.000 2.348 188 D HA 0.094 4.549 4.640 -0.309 0.000 0.211 188 D C 1.395 177.703 176.300 0.013 0.000 0.998 188 D CA 0.694 54.694 54.000 -0.000 0.000 0.873 188 D CB -0.274 40.553 40.800 0.044 0.000 0.925 188 D HN 0.587 nan 8.370 nan 0.000 0.524 189 G N -0.742 108.061 108.800 0.006 0.000 2.211 189 G HA2 -0.287 3.487 3.960 -0.309 0.000 0.201 189 G HA3 -0.287 3.487 3.960 -0.309 0.000 0.201 189 G C 1.326 176.243 174.900 0.029 0.000 0.997 189 G CA 0.267 45.374 45.100 0.013 0.000 0.652 189 G HN 0.243 nan 8.290 nan 0.000 0.500 190 S N 0.048 115.782 115.700 0.058 0.000 2.399 190 S HA 0.242 4.527 4.470 -0.309 0.000 0.231 190 S C 1.000 175.637 174.600 0.062 0.000 1.022 190 S CA 1.385 59.636 58.200 0.085 0.000 0.983 190 S CB -0.112 63.200 63.200 0.186 0.000 0.803 190 S HN 0.614 nan 8.310 nan 0.000 0.480 191 M N 0.759 120.378 119.600 0.032 0.000 2.433 191 M HA 0.266 4.561 4.480 -0.309 0.000 0.290 191 M C -0.230 176.063 176.300 -0.012 0.000 1.173 191 M CA -0.582 54.721 55.300 0.006 0.000 0.905 191 M CB 2.264 34.857 32.600 -0.013 0.000 1.692 191 M HN 0.019 nan 8.290 nan 0.000 0.462 192 T N -1.408 113.144 114.554 -0.003 0.000 2.813 192 T HA 0.227 4.391 4.350 -0.309 0.000 0.297 192 T C 0.758 175.467 174.700 0.016 0.000 1.036 192 T CA -0.332 61.781 62.100 0.020 0.000 1.044 192 T CB 0.778 69.665 68.868 0.031 0.000 0.993 192 T HN 0.596 nan 8.240 nan 0.000 0.535 193 F N 1.618 121.523 119.950 -0.075 0.000 2.091 193 F HA -0.029 4.312 4.527 -0.310 0.000 0.299 193 F C 2.569 178.305 175.800 -0.106 0.000 1.103 193 F CA 1.994 59.937 58.000 -0.095 0.000 1.228 193 F CB -0.933 38.011 39.000 -0.093 0.000 0.984 193 F HN 0.743 nan 8.300 nan 0.000 0.477 194 A N -0.123 122.726 122.820 0.048 0.000 1.933 194 A HA -0.198 3.937 4.320 -0.309 0.000 0.218 194 A C 2.091 179.593 177.584 -0.136 0.000 1.175 194 A CA 1.886 53.898 52.037 -0.043 0.000 0.628 194 A CB -0.801 18.227 19.000 0.046 0.000 0.814 194 A HN 0.595 nan 8.150 nan 0.000 0.444 195 E N -0.313 119.826 120.200 -0.102 0.000 2.072 195 E HA -0.035 4.130 4.350 -0.309 0.000 0.190 195 E C 2.342 178.856 176.600 -0.143 0.000 0.982 195 E CA 0.796 57.145 56.400 -0.085 0.000 0.803 195 E CB -0.270 29.409 29.700 -0.036 0.000 0.755 195 E HN 0.611 nan 8.360 nan 0.000 0.453 196 A N 1.865 124.551 122.820 -0.223 0.000 1.902 196 A HA -0.242 3.893 4.320 -0.309 0.000 0.217 196 A C 2.074 179.431 177.584 -0.379 0.000 1.181 196 A CA 1.676 53.542 52.037 -0.284 0.000 0.623 196 A CB -0.383 18.409 19.000 -0.346 0.000 0.818 196 A HN 0.064 nan 8.150 nan 0.000 0.443 197 K N -0.644 119.424 120.400 -0.553 0.000 2.026 197 K HA -0.181 3.953 4.320 -0.309 0.000 0.208 197 K C 1.896 178.076 176.600 -0.700 0.000 1.048 197 K CA 1.577 57.439 56.287 -0.709 0.000 0.929 197 K CB -0.106 31.909 32.500 -0.809 0.000 0.713 197 K HN 0.364 nan 8.250 nan 0.000 0.439 198 E N 0.222 120.207 120.200 -0.357 0.000 2.106 198 E HA -0.134 4.031 4.350 -0.309 0.000 0.192 198 E C 1.927 178.516 176.600 -0.019 0.000 0.984 198 E CA 1.067 57.403 56.400 -0.107 0.000 0.806 198 E CB -0.206 29.490 29.700 -0.006 0.000 0.750 198 E HN 0.423 nan 8.360 nan 0.000 0.458 199 A N 1.386 124.177 122.820 -0.048 0.000 1.902 199 A HA -0.176 3.958 4.320 -0.309 0.000 0.217 199 A C 2.258 179.886 177.584 0.075 0.000 1.181 199 A CA 1.386 53.448 52.037 0.041 0.000 0.623 199 A CB -0.652 18.371 19.000 0.038 0.000 0.818 199 A HN 0.261 nan 8.150 nan 0.000 0.443 200 L N -1.384 119.804 121.223 -0.058 0.000 2.042 200 L HA -0.165 3.990 4.340 -0.309 0.000 0.210 200 L C 2.270 179.268 176.870 0.214 0.000 1.076 200 L CA 1.950 56.790 54.840 -0.000 0.000 0.749 200 L CB -0.831 41.134 42.059 -0.157 0.000 0.893 200 L HN 0.462 nan 8.230 nan 0.000 0.432 201 Y N 0.120 120.487 120.300 0.112 0.000 2.200 201 Y HA -0.165 4.200 4.550 -0.309 0.000 0.290 201 Y C 2.518 178.485 175.900 0.111 0.000 1.137 201 Y CA 0.858 59.023 58.100 0.109 0.000 1.163 201 Y CB -1.221 37.281 38.460 0.070 0.000 0.988 201 Y HN 0.290 nan 8.280 nan 0.000 0.518 202 D N -0.991 119.565 120.400 0.261 0.000 2.158 202 D HA -0.251 4.203 4.640 -0.309 0.000 0.197 202 D C 2.018 178.440 176.300 0.204 0.000 0.995 202 D CA 1.492 55.606 54.000 0.190 0.000 0.846 202 D CB -0.706 40.188 40.800 0.158 0.000 0.941 202 D HN 0.406 nan 8.370 nan 0.000 0.456 203 Y N 1.166 121.546 120.300 0.133 0.000 2.133 203 Y HA -0.100 4.265 4.550 -0.308 0.000 0.287 203 Y C 2.276 178.248 175.900 0.121 0.000 1.134 203 Y CA 1.269 59.445 58.100 0.128 0.000 1.133 203 Y CB -0.406 38.145 38.460 0.151 0.000 0.987 203 Y HN -0.121 nan 8.280 nan 0.000 0.502 204 L N -0.499 120.829 121.223 0.176 0.000 2.109 204 L HA -0.174 3.981 4.340 -0.309 0.000 0.207 204 L C 2.382 179.255 176.870 0.005 0.000 1.086 204 L CA 1.058 55.941 54.840 0.073 0.000 0.760 204 L CB -0.553 41.647 42.059 0.234 0.000 0.910 204 L HN 0.255 nan 8.230 nan 0.000 0.437 205 I N 0.337 120.934 120.570 0.044 0.000 2.118 205 I HA -0.249 3.736 4.170 -0.309 0.000 0.241 205 I C -0.245 175.860 176.117 -0.019 0.000 1.070 205 I CA 1.722 63.030 61.300 0.014 0.000 1.327 205 I CB -1.536 36.482 38.000 0.031 0.000 1.034 205 I HN 0.255 nan 8.210 nan 0.000 0.405 206 P HA -0.110 nan 4.420 nan 0.000 0.219 206 P C 1.868 179.128 177.300 -0.067 0.000 1.150 206 P CA 1.591 64.663 63.100 -0.048 0.000 0.814 206 P CB -0.067 31.601 31.700 -0.053 0.000 0.787 207 I N -0.492 120.013 120.570 -0.108 0.000 2.179 207 I HA -0.225 3.759 4.170 -0.309 0.000 0.242 207 I C 2.647 178.730 176.117 -0.057 0.000 1.088 207 I CA 1.336 62.572 61.300 -0.106 0.000 1.357 207 I CB -0.740 37.159 38.000 -0.167 0.000 1.051 207 I HN -0.191 nan 8.210 nan 0.000 0.409 208 I N 0.537 121.084 120.570 -0.039 0.000 2.127 208 I HA -0.286 3.699 4.170 -0.309 0.000 0.241 208 I C 2.675 178.781 176.117 -0.018 0.000 1.075 208 I CA 1.397 62.686 61.300 -0.017 0.000 1.334 208 I CB -0.481 37.517 38.000 -0.004 0.000 1.040 208 I HN 0.236 nan 8.210 nan 0.000 0.405 209 E N 0.396 120.584 120.200 -0.020 0.000 2.070 209 E HA -0.326 3.838 4.350 -0.309 0.000 0.197 209 E C 2.070 178.660 176.600 -0.018 0.000 1.004 209 E CA 1.525 57.915 56.400 -0.016 0.000 0.805 209 E CB -0.474 29.217 29.700 -0.015 0.000 0.744 209 E HN 0.591 nan 8.360 nan 0.000 0.451 210 Q N 0.509 120.294 119.800 -0.025 0.000 2.124 210 Q HA -0.110 4.044 4.340 -0.309 0.000 0.202 210 Q C 1.940 177.927 176.000 -0.022 0.000 0.977 210 Q CA 1.185 56.973 55.803 -0.025 0.000 0.850 210 Q CB 0.093 28.811 28.738 -0.032 0.000 0.901 210 Q HN 0.109 nan 8.270 nan 0.000 0.429 211 R N -0.611 119.875 120.500 -0.024 0.000 2.299 211 R HA 0.092 4.246 4.340 -0.309 0.000 0.197 211 R C 2.040 178.331 176.300 -0.015 0.000 0.971 211 R CA 0.111 56.199 56.100 -0.021 0.000 1.030 211 R CB 0.180 30.465 30.300 -0.025 0.000 0.932 211 R HN 0.173 nan 8.270 nan 0.000 0.477 212 R N 0.264 120.757 120.500 -0.013 0.000 2.115 212 R HA -0.076 4.079 4.340 -0.309 0.000 0.230 212 R C 1.828 178.122 176.300 -0.010 0.000 1.111 212 R CA 1.025 57.119 56.100 -0.009 0.000 0.976 212 R CB 0.126 30.422 30.300 -0.007 0.000 0.870 212 R HN 0.238 nan 8.270 nan 0.000 0.445 213 Q N 0.107 119.900 119.800 -0.011 0.000 2.226 213 Q HA 0.004 4.159 4.340 -0.309 0.000 0.199 213 Q C 0.439 176.432 176.000 -0.012 0.000 0.945 213 Q CA 0.812 56.609 55.803 -0.011 0.000 0.861 213 Q CB 0.324 29.055 28.738 -0.011 0.000 0.953 213 Q HN -0.104 nan 8.270 nan 0.000 0.490 214 K N 2.065 122.457 120.400 -0.014 0.000 2.624 214 K HA 0.246 4.380 4.320 -0.309 0.000 0.200 214 K C -2.674 173.916 176.600 -0.016 0.000 1.036 214 K CA -2.203 54.076 56.287 -0.014 0.000 1.029 214 K CB 1.032 33.523 32.500 -0.014 0.000 1.317 214 K HN -0.137 nan 8.250 nan 0.000 0.555 215 P HA 0.198 nan 4.420 nan 0.000 0.271 215 P C -0.033 177.255 177.300 -0.019 0.000 1.216 215 P CA -0.170 62.920 63.100 -0.017 0.000 0.776 215 P CB 1.512 33.203 31.700 -0.015 0.000 0.881 216 G N 0.792 109.578 108.800 -0.023 0.000 2.702 216 G HA2 0.450 4.225 3.960 -0.309 0.000 0.254 216 G HA3 0.450 4.225 3.960 -0.309 0.000 0.254 216 G C 0.373 175.257 174.900 -0.026 0.000 1.380 216 G CA -0.320 44.765 45.100 -0.025 0.000 1.042 216 G HN 0.488 nan 8.290 nan 0.000 0.557 217 T N -1.424 113.113 114.554 -0.029 0.000 3.223 217 T HA 0.218 4.382 4.350 -0.309 0.000 0.259 217 T C 0.209 174.886 174.700 -0.040 0.000 1.015 217 T CA -0.024 62.058 62.100 -0.030 0.000 0.908 217 T CB -0.452 68.400 68.868 -0.027 0.000 1.054 217 T HN 0.564 nan 8.240 nan 0.000 0.567 218 D N 0.450 120.821 120.400 -0.048 0.000 2.423 218 D HA 0.423 4.877 4.640 -0.309 0.000 0.255 218 D C 1.347 177.608 176.300 -0.066 0.000 1.174 218 D CA -0.510 53.449 54.000 -0.069 0.000 1.008 218 D CB 1.509 42.260 40.800 -0.082 0.000 1.101 218 D HN 0.095 nan 8.370 nan 0.000 0.516 219 A N 0.486 123.250 122.820 -0.094 0.000 1.930 219 A HA -0.085 4.050 4.320 -0.309 0.000 0.217 219 A C 2.338 179.899 177.584 -0.038 0.000 1.175 219 A CA 0.875 52.870 52.037 -0.070 0.000 0.627 219 A CB -0.757 18.180 19.000 -0.105 0.000 0.815 219 A HN 0.629 nan 8.150 nan 0.000 0.443 220 I N -0.420 120.120 120.570 -0.050 0.000 2.252 220 I HA -0.195 3.790 4.170 -0.309 0.000 0.245 220 I C 2.617 178.727 176.117 -0.011 0.000 1.102 220 I CA 1.337 62.629 61.300 -0.013 0.000 1.385 220 I CB -0.299 37.692 38.000 -0.015 0.000 1.064 220 I HN 0.197 nan 8.210 nan 0.000 0.414 221 S N 0.908 116.594 115.700 -0.024 0.000 2.383 221 S HA -0.124 4.161 4.470 -0.309 0.000 0.229 221 S C 1.975 176.568 174.600 -0.011 0.000 1.030 221 S CA 1.337 59.525 58.200 -0.019 0.000 1.002 221 S CB -0.312 62.873 63.200 -0.025 0.000 0.829 221 S HN 0.326 nan 8.310 nan 0.000 0.467 222 I N 0.750 121.313 120.570 -0.012 0.000 2.193 222 I HA -0.107 3.878 4.170 -0.309 0.000 0.240 222 I C 2.194 178.317 176.117 0.009 0.000 1.084 222 I CA 0.797 62.094 61.300 -0.005 0.000 1.365 222 I CB -0.532 37.464 38.000 -0.008 0.000 1.064 222 I HN 0.113 nan 8.210 nan 0.000 0.410 223 V N 1.233 121.158 119.914 0.019 0.000 2.332 223 V HA -0.312 3.622 4.120 -0.309 0.000 0.248 223 V C 2.752 178.868 176.094 0.037 0.000 1.055 223 V CA 2.049 64.372 62.300 0.039 0.000 1.038 223 V CB -1.079 30.777 31.823 0.055 0.000 0.651 223 V HN 0.507 nan 8.190 nan 0.000 0.450 224 A N 0.016 122.850 122.820 0.023 0.000 1.940 224 A HA -0.203 3.932 4.320 -0.309 0.000 0.219 224 A C 1.842 179.434 177.584 0.013 0.000 1.176 224 A CA 1.877 53.924 52.037 0.017 0.000 0.631 224 A CB -0.499 18.505 19.000 0.005 0.000 0.814 224 A HN 0.625 nan 8.150 nan 0.000 0.446 225 N N 0.093 118.797 118.700 0.008 0.000 2.276 225 N HA 0.115 4.670 4.740 -0.309 0.000 0.212 225 N C 0.519 176.030 175.510 0.002 0.000 1.127 225 N CA 0.496 53.547 53.050 0.002 0.000 0.834 225 N CB 0.454 38.939 38.487 -0.004 0.000 1.014 225 N HN 0.421 nan 8.380 nan 0.000 0.491 226 G N 0.372 109.178 108.800 0.010 0.000 2.477 226 G HA2 0.415 4.189 3.960 -0.309 0.000 0.304 226 G HA3 0.415 4.189 3.960 -0.309 0.000 0.304 226 G C -0.498 174.399 174.900 -0.004 0.000 1.175 226 G CA -0.262 44.840 45.100 0.005 0.000 0.907 226 G HN 0.100 nan 8.290 nan 0.000 0.509 227 Q N -0.876 118.909 119.800 -0.025 0.000 2.293 227 Q HA 0.503 4.658 4.340 -0.309 0.000 0.261 227 Q C -0.323 175.625 176.000 -0.086 0.000 0.960 227 Q CA -0.740 55.038 55.803 -0.042 0.000 0.882 227 Q CB 2.500 31.212 28.738 -0.043 0.000 1.275 227 Q HN 0.601 nan 8.270 nan 0.000 0.445 228 V N 0.523 120.379 119.914 -0.098 0.000 2.588 228 V HA 0.572 4.506 4.120 -0.309 0.000 0.304 228 V C -0.998 175.020 176.094 -0.125 0.000 1.042 228 V CA -0.863 61.323 62.300 -0.191 0.000 0.877 228 V CB 1.673 33.280 31.823 -0.359 0.000 0.996 228 V HN 0.842 nan 8.190 nan 0.000 0.425 229 N N 4.302 122.923 118.700 -0.133 0.000 2.667 229 N HA -0.121 4.433 4.740 -0.309 0.000 0.263 229 N C 1.160 176.639 175.510 -0.052 0.000 1.038 229 N CA 2.103 55.103 53.050 -0.084 0.000 0.749 229 N CB -1.284 37.161 38.487 -0.069 0.000 0.892 229 N HN 2.046 nan 8.380 nan 0.000 0.546 230 G N -1.270 107.499 108.800 -0.051 0.000 2.990 230 G HA2 -0.403 3.372 3.960 -0.309 0.000 0.225 230 G HA3 -0.403 3.372 3.960 -0.309 0.000 0.225 230 G C 0.310 175.193 174.900 -0.028 0.000 1.304 230 G CA 0.728 45.807 45.100 -0.035 0.000 0.816 230 G HN 0.597 nan 8.290 nan 0.000 0.528 231 R N 1.102 121.587 120.500 -0.025 0.000 2.782 231 R HA 0.523 4.677 4.340 -0.309 0.000 0.258 231 R C -2.558 173.736 176.300 -0.011 0.000 1.055 231 R CA -1.818 54.273 56.100 -0.014 0.000 1.065 231 R CB 0.657 30.953 30.300 -0.007 0.000 1.172 231 R HN 0.141 nan 8.270 nan 0.000 0.510 232 P HA 0.007 nan 4.420 nan 0.000 0.268 232 P C -0.099 177.212 177.300 0.018 0.000 1.208 232 P CA 0.121 63.223 63.100 0.004 0.000 0.777 232 P CB 0.409 32.112 31.700 0.005 0.000 0.875 233 I N 1.746 122.334 120.570 0.031 0.000 2.648 233 I HA 0.041 4.026 4.170 -0.309 0.000 0.284 233 I C 0.789 176.938 176.117 0.052 0.000 1.153 233 I CA 0.019 61.359 61.300 0.067 0.000 1.426 233 I CB 0.576 38.631 38.000 0.093 0.000 1.381 233 I HN 0.428 nan 8.210 nan 0.000 0.571 234 T N 2.669 117.260 114.554 0.060 0.000 2.726 234 T HA 0.137 4.302 4.350 -0.309 0.000 0.294 234 T C 1.087 175.796 174.700 0.015 0.000 1.013 234 T CA -0.362 61.757 62.100 0.031 0.000 0.996 234 T CB 1.178 70.062 68.868 0.026 0.000 1.016 234 T HN 0.670 nan 8.240 nan 0.000 0.529 235 S N -0.033 115.664 115.700 -0.005 0.000 2.387 235 S HA -0.066 4.218 4.470 -0.309 0.000 0.226 235 S C 1.732 176.295 174.600 -0.063 0.000 1.026 235 S CA 1.090 59.275 58.200 -0.024 0.000 0.972 235 S CB -0.600 62.586 63.200 -0.024 0.000 0.814 235 S HN 0.946 nan 8.310 nan 0.000 0.477 236 D N 1.213 121.572 120.400 -0.068 0.000 2.123 236 D HA -0.152 4.303 4.640 -0.309 0.000 0.196 236 D C 1.912 178.142 176.300 -0.117 0.000 0.992 236 D CA 1.312 55.242 54.000 -0.116 0.000 0.833 236 D CB -0.002 40.752 40.800 -0.076 0.000 0.954 236 D HN 0.450 nan 8.370 nan 0.000 0.455 237 E N -0.500 119.669 120.200 -0.052 0.000 2.072 237 E HA -0.042 4.122 4.350 -0.309 0.000 0.190 237 E C 2.134 178.720 176.600 -0.023 0.000 0.982 237 E CA 0.760 57.133 56.400 -0.045 0.000 0.803 237 E CB -0.107 29.637 29.700 0.075 0.000 0.755 237 E HN 0.350 nan 8.360 nan 0.000 0.453 238 A N 2.296 125.121 122.820 0.007 0.000 1.933 238 A HA -0.250 3.885 4.320 -0.309 0.000 0.218 238 A C 2.079 179.668 177.584 0.008 0.000 1.175 238 A CA 1.910 53.962 52.037 0.025 0.000 0.628 238 A CB -0.481 18.535 19.000 0.026 0.000 0.814 238 A HN 0.230 nan 8.150 nan 0.000 0.444 239 K N -0.550 119.815 120.400 -0.059 0.000 2.057 239 K HA -0.088 4.047 4.320 -0.309 0.000 0.206 239 K C 1.929 178.517 176.600 -0.020 0.000 1.050 239 K CA 1.358 57.592 56.287 -0.088 0.000 0.935 239 K CB -0.281 32.039 32.500 -0.300 0.000 0.715 239 K HN 0.327 nan 8.250 nan 0.000 0.439 240 R N 0.009 120.466 120.500 -0.072 0.000 2.189 240 R HA 0.129 4.284 4.340 -0.309 0.000 0.218 240 R C 2.315 178.738 176.300 0.206 0.000 1.074 240 R CA 1.220 57.428 56.100 0.180 0.000 0.991 240 R CB -0.143 30.197 30.300 0.067 0.000 0.883 240 R HN 0.284 nan 8.270 nan 0.000 0.457 241 M N -0.663 118.977 119.600 0.067 0.000 2.134 241 M HA -0.143 4.152 4.480 -0.309 0.000 0.262 241 M C 2.269 178.596 176.300 0.045 0.000 1.076 241 M CA 1.261 56.588 55.300 0.044 0.000 1.143 241 M CB -0.096 32.536 32.600 0.053 0.000 1.346 241 M HN 0.239 nan 8.290 nan 0.000 0.421 242 C N 0.433 119.785 119.300 0.087 0.000 2.401 242 C HA -0.146 4.129 4.460 -0.309 0.000 0.276 242 C C 2.792 177.824 174.990 0.070 0.000 1.233 242 C CA 1.142 60.243 59.018 0.138 0.000 1.753 242 C CB -1.904 25.944 27.740 0.180 0.000 2.029 242 C HN 0.784 nan 8.230 nan 0.000 0.478 243 G N 0.171 109.006 108.800 0.059 0.000 2.446 243 G HA2 -0.240 3.535 3.960 -0.309 0.000 0.217 243 G HA3 -0.240 3.535 3.960 -0.309 0.000 0.217 243 G C 1.496 175.957 174.900 -0.731 0.000 1.168 243 G CA 1.130 46.144 45.100 -0.144 0.000 0.771 243 G HN 0.480 nan 8.290 nan 0.000 0.551 244 L N 0.381 121.169 121.223 -0.726 0.000 2.093 244 L HA 0.190 4.344 4.340 -0.309 0.000 0.208 244 L C 2.661 179.341 176.870 -0.316 0.000 1.085 244 L CA 1.148 55.593 54.840 -0.659 0.000 0.755 244 L CB -0.351 41.535 42.059 -0.288 0.000 0.904 244 L HN 0.213 nan 8.230 nan 0.000 0.435 245 L N -1.327 119.802 121.223 -0.157 0.000 2.083 245 L HA -0.211 3.944 4.340 -0.309 0.000 0.209 245 L C 2.399 179.187 176.870 -0.136 0.000 1.083 245 L CA 0.961 55.791 54.840 -0.017 0.000 0.752 245 L CB -0.641 41.517 42.059 0.166 0.000 0.899 245 L HN 0.368 nan 8.230 nan 0.000 0.433 246 L N 0.008 120.951 121.223 -0.466 0.000 1.988 246 L HA -0.122 4.032 4.340 -0.309 0.000 0.207 246 L C 2.498 179.051 176.870 -0.528 0.000 1.071 246 L CA 2.059 56.303 54.840 -0.994 0.000 0.744 246 L CB -0.501 40.882 42.059 -1.127 0.000 0.893 246 L HN 0.148 nan 8.230 nan 0.000 0.433 247 V N -2.141 117.519 119.914 -0.424 0.000 2.548 247 V HA 0.070 4.005 4.120 -0.309 0.000 0.249 247 V C 2.336 178.336 176.094 -0.156 0.000 1.055 247 V CA 1.371 63.513 62.300 -0.265 0.000 1.065 247 V CB -1.916 29.786 31.823 -0.200 0.000 0.681 247 V HN 0.452 nan 8.190 nan 0.000 0.462 248 G N 0.916 109.625 108.800 -0.153 0.000 2.442 248 G HA2 -0.099 3.676 3.960 -0.309 0.000 0.219 248 G HA3 -0.099 3.676 3.960 -0.309 0.000 0.219 248 G C 1.387 176.274 174.900 -0.021 0.000 1.141 248 G CA 0.818 45.885 45.100 -0.055 0.000 0.763 248 G HN 0.865 nan 8.290 nan 0.000 0.554 249 G N -0.481 108.293 108.800 -0.043 0.000 3.284 249 G HA2 0.394 4.168 3.960 -0.309 0.000 0.236 249 G HA3 0.394 4.168 3.960 -0.309 0.000 0.236 249 G C 1.268 176.160 174.900 -0.013 0.000 1.158 249 G CA -0.159 44.937 45.100 -0.007 0.000 0.774 249 G HN 0.378 nan 8.290 nan 0.000 0.545 250 L N -0.568 120.631 121.223 -0.040 0.000 2.370 250 L HA 0.200 4.355 4.340 -0.309 0.000 0.191 250 L C 2.101 178.972 176.870 0.001 0.000 1.203 250 L CA 0.298 55.116 54.840 -0.038 0.000 0.825 250 L CB -0.512 41.496 42.059 -0.085 0.000 1.048 250 L HN -0.084 nan 8.230 nan 0.000 0.487 251 D N 0.455 120.853 120.400 -0.003 0.000 2.123 251 D HA -0.172 4.282 4.640 -0.309 0.000 0.196 251 D C 2.183 178.516 176.300 0.055 0.000 0.992 251 D CA 2.086 56.096 54.000 0.016 0.000 0.833 251 D CB -0.350 40.455 40.800 0.009 0.000 0.954 251 D HN 0.426 nan 8.370 nan 0.000 0.455 252 T N -1.215 113.380 114.554 0.068 0.000 2.684 252 T HA -0.147 4.018 4.350 -0.309 0.000 0.267 252 T C 2.208 177.010 174.700 0.172 0.000 1.036 252 T CA 1.393 63.557 62.100 0.107 0.000 1.148 252 T CB -0.868 68.052 68.868 0.086 0.000 0.863 252 T HN -0.002 nan 8.240 nan 0.000 0.436 253 V N 1.312 121.321 119.914 0.158 0.000 2.307 253 V HA -0.123 3.811 4.120 -0.309 0.000 0.245 253 V C 2.969 179.197 176.094 0.224 0.000 1.045 253 V CA 1.333 63.768 62.300 0.225 0.000 1.024 253 V CB -0.767 31.164 31.823 0.181 0.000 0.651 253 V HN 0.380 nan 8.190 nan 0.000 0.449 254 V N 0.852 120.844 119.914 0.130 0.000 2.252 254 V HA -0.311 3.624 4.120 -0.309 0.000 0.249 254 V C 2.327 178.457 176.094 0.060 0.000 1.056 254 V CA 2.468 64.813 62.300 0.075 0.000 1.022 254 V CB -0.811 31.019 31.823 0.012 0.000 0.641 254 V HN 0.587 nan 8.190 nan 0.000 0.445 255 N N -0.901 117.829 118.700 0.051 0.000 2.216 255 N HA -0.103 4.452 4.740 -0.309 0.000 0.183 255 N C 1.724 177.247 175.510 0.022 0.000 1.017 255 N CA 1.366 54.386 53.050 -0.050 0.000 0.861 255 N CB -0.342 38.138 38.487 -0.011 0.000 0.986 255 N HN 0.516 nan 8.380 nan 0.000 0.428 256 F N 2.218 122.242 119.950 0.122 0.000 2.102 256 F HA -0.029 4.323 4.527 -0.292 0.000 0.298 256 F C 2.143 178.034 175.800 0.153 0.000 1.105 256 F CA 1.002 59.125 58.000 0.205 0.000 1.239 256 F CB -0.452 38.629 39.000 0.135 0.000 0.991 256 F HN -0.096 nan 8.300 nan 0.000 0.474 257 L N -0.572 120.702 121.223 0.084 0.000 2.079 257 L HA -0.269 3.885 4.340 -0.309 0.000 0.210 257 L C 2.489 179.339 176.870 -0.034 0.000 1.081 257 L CA 1.493 56.366 54.840 0.055 0.000 0.752 257 L CB -0.976 41.298 42.059 0.359 0.000 0.896 257 L HN 0.118 nan 8.230 nan 0.000 0.433 258 S N -0.452 115.252 115.700 0.006 0.000 2.368 258 S HA -0.112 4.173 4.470 -0.309 0.000 0.224 258 S C 1.764 176.158 174.600 -0.343 0.000 1.029 258 S CA 1.170 59.311 58.200 -0.098 0.000 0.988 258 S CB -0.337 62.782 63.200 -0.136 0.000 0.838 258 S HN 0.221 nan 8.310 nan 0.000 0.462 259 F N 2.237 121.951 119.950 -0.394 0.000 2.171 259 F HA -0.084 4.261 4.527 -0.304 0.000 0.300 259 F C 2.743 178.006 175.800 -0.895 0.000 1.090 259 F CA 0.864 58.491 58.000 -0.622 0.000 1.293 259 F CB -0.858 37.760 39.000 -0.637 0.000 1.013 259 F HN 0.105 nan 8.300 nan 0.000 0.486 260 S N -0.495 114.822 115.700 -0.638 0.000 2.368 260 S HA -0.144 4.140 4.470 -0.309 0.000 0.224 260 S C 2.098 176.484 174.600 -0.356 0.000 1.029 260 S CA 1.057 58.930 58.200 -0.545 0.000 0.988 260 S CB -0.205 62.677 63.200 -0.530 0.000 0.838 260 S HN 0.192 nan 8.310 nan 0.000 0.462 261 M N 1.278 120.585 119.600 -0.489 0.000 2.254 261 M HA 0.010 4.305 4.480 -0.309 0.000 0.265 261 M C 2.174 178.280 176.300 -0.324 0.000 1.066 261 M CA 1.047 55.998 55.300 -0.582 0.000 1.123 261 M CB -1.131 30.664 32.600 -1.341 0.000 1.388 261 M HN 0.433 nan 8.290 nan 0.000 0.425 262 E N 0.071 120.103 120.200 -0.279 0.000 2.038 262 E HA -0.244 3.921 4.350 -0.309 0.000 0.195 262 E C 1.975 178.522 176.600 -0.089 0.000 1.000 262 E CA 1.374 57.694 56.400 -0.133 0.000 0.803 262 E CB -0.196 29.465 29.700 -0.065 0.000 0.750 262 E HN 0.348 nan 8.360 nan 0.000 0.448 263 F N 1.439 121.228 119.950 -0.267 0.000 2.069 263 F HA -0.186 4.154 4.527 -0.312 0.000 0.298 263 F C 2.029 177.766 175.800 -0.106 0.000 1.113 263 F CA 1.495 59.394 58.000 -0.168 0.000 1.214 263 F CB -0.312 38.567 39.000 -0.202 0.000 0.978 263 F HN 0.011 nan 8.300 nan 0.000 0.474 264 L N -0.064 121.073 121.223 -0.143 0.000 2.083 264 L HA -0.211 3.944 4.340 -0.309 0.000 0.209 264 L C 2.763 179.413 176.870 -0.367 0.000 1.083 264 L CA 1.130 55.852 54.840 -0.197 0.000 0.752 264 L CB -1.241 40.840 42.059 0.037 0.000 0.899 264 L HN 0.292 nan 8.230 nan 0.000 0.433 265 A N -0.045 122.631 122.820 -0.239 0.000 1.972 265 A HA -0.187 3.947 4.320 -0.309 0.000 0.219 265 A C 2.211 179.639 177.584 -0.260 0.000 1.169 265 A CA 1.471 53.346 52.037 -0.269 0.000 0.635 265 A CB -0.231 18.791 19.000 0.037 0.000 0.810 265 A HN 0.338 nan 8.150 nan 0.000 0.446 266 K N -0.903 119.337 120.400 -0.267 0.000 2.393 266 K HA 0.135 4.270 4.320 -0.309 0.000 0.193 266 K C 0.185 176.600 176.600 -0.309 0.000 1.026 266 K CA 0.432 56.579 56.287 -0.233 0.000 1.064 266 K CB 0.312 32.715 32.500 -0.163 0.000 0.833 266 K HN 0.237 nan 8.250 nan 0.000 0.521 267 S N 1.181 116.619 115.700 -0.438 0.000 2.158 267 S HA 0.262 4.546 4.470 -0.309 0.000 0.160 267 S C -2.360 172.111 174.600 -0.215 0.000 1.693 267 S CA -1.642 56.340 58.200 -0.364 0.000 1.251 267 S CB 0.664 63.459 63.200 -0.675 0.000 1.153 267 S HN -0.107 nan 8.310 nan 0.000 0.439 268 P HA -0.095 nan 4.420 nan 0.000 0.219 268 P C 1.040 178.293 177.300 -0.079 0.000 1.146 268 P CA 1.029 64.041 63.100 -0.147 0.000 0.808 268 P CB 0.212 31.840 31.700 -0.119 0.000 0.779 269 E N -1.491 118.674 120.200 -0.059 0.000 2.106 269 E HA -0.201 3.964 4.350 -0.309 0.000 0.192 269 E C 1.848 178.402 176.600 -0.076 0.000 0.984 269 E CA 1.007 57.364 56.400 -0.071 0.000 0.806 269 E CB -0.491 29.147 29.700 -0.103 0.000 0.750 269 E HN 0.472 nan 8.360 nan 0.000 0.458 270 H N 0.208 119.266 119.070 -0.020 0.000 2.363 270 H HA 0.043 4.413 4.556 -0.310 0.000 0.301 270 H C 2.110 177.552 175.328 0.191 0.000 1.074 270 H CA 1.049 57.167 56.048 0.117 0.000 1.354 270 H CB 0.115 29.968 29.762 0.152 0.000 1.397 270 H HN -0.017 nan 8.280 nan 0.000 0.516 271 R N 0.241 120.832 120.500 0.152 0.000 2.094 271 R HA -0.228 3.926 4.340 -0.309 0.000 0.239 271 R C 2.297 178.646 176.300 0.082 0.000 1.137 271 R CA 1.790 57.935 56.100 0.076 0.000 0.943 271 R CB -0.279 29.965 30.300 -0.093 0.000 0.850 271 R HN 0.278 nan 8.270 nan 0.000 0.433 272 Q N 0.991 120.815 119.800 0.040 0.000 2.096 272 Q HA -0.216 3.939 4.340 -0.309 0.000 0.204 272 Q C 1.813 177.848 176.000 0.059 0.000 0.982 272 Q CA 1.969 57.791 55.803 0.032 0.000 0.850 272 Q CB -0.163 28.576 28.738 0.002 0.000 0.901 272 Q HN 0.363 nan 8.270 nan 0.000 0.422 273 E N -0.690 119.562 120.200 0.087 0.000 2.058 273 E HA -0.200 3.965 4.350 -0.309 0.000 0.194 273 E C 1.752 178.433 176.600 0.135 0.000 0.997 273 E CA 1.439 57.911 56.400 0.119 0.000 0.801 273 E CB -0.162 29.643 29.700 0.176 0.000 0.746 273 E HN 0.466 nan 8.360 nan 0.000 0.450 274 L N 0.315 121.634 121.223 0.159 0.000 2.240 274 L HA -0.059 4.095 4.340 -0.309 0.000 0.211 274 L C 2.446 179.357 176.870 0.068 0.000 1.106 274 L CA 0.303 55.200 54.840 0.095 0.000 0.793 274 L CB -0.219 41.884 42.059 0.074 0.000 0.927 274 L HN 0.211 nan 8.230 nan 0.000 0.446 275 I N 0.130 120.743 120.570 0.072 0.000 2.179 275 I HA -0.271 3.714 4.170 -0.309 0.000 0.242 275 I C 2.393 178.535 176.117 0.042 0.000 1.088 275 I CA 1.518 62.849 61.300 0.053 0.000 1.357 275 I CB -0.111 37.918 38.000 0.048 0.000 1.051 275 I HN 0.251 nan 8.210 nan 0.000 0.409 276 E N 0.317 120.543 120.200 0.043 0.000 2.112 276 E HA -0.036 4.128 4.350 -0.309 0.000 0.190 276 E C 0.519 177.141 176.600 0.037 0.000 0.979 276 E CA 0.621 57.042 56.400 0.035 0.000 0.814 276 E CB 0.260 29.979 29.700 0.032 0.000 0.762 276 E HN 0.293 nan 8.360 nan 0.000 0.460 277 R N 1.048 121.576 120.500 0.046 0.000 2.724 277 R HA 0.155 4.310 4.340 -0.309 0.000 0.284 277 R C -2.190 174.131 176.300 0.035 0.000 1.481 277 R CA -1.331 54.794 56.100 0.042 0.000 1.652 277 R CB 0.710 31.042 30.300 0.054 0.000 1.175 277 R HN 0.101 nan 8.270 nan 0.000 0.613 278 P HA -0.208 nan 4.420 nan 0.000 0.221 278 P C 1.044 178.354 177.300 0.015 0.000 1.145 278 P CA 1.203 64.316 63.100 0.022 0.000 0.795 278 P CB 0.336 32.050 31.700 0.023 0.000 0.775 279 E N 0.982 121.194 120.200 0.019 0.000 2.409 279 E HA -0.163 4.002 4.350 -0.309 0.000 0.198 279 E C 1.603 178.211 176.600 0.014 0.000 1.024 279 E CA 0.773 57.184 56.400 0.018 0.000 0.861 279 E CB -0.612 29.101 29.700 0.022 0.000 0.788 279 E HN 0.307 nan 8.360 nan 0.000 0.521 280 R N 0.157 120.662 120.500 0.009 0.000 2.297 280 R HA 0.255 4.410 4.340 -0.309 0.000 0.197 280 R C 2.299 178.559 176.300 -0.068 0.000 0.943 280 R CA 0.145 56.242 56.100 -0.004 0.000 1.038 280 R CB -0.134 30.183 30.300 0.027 0.000 0.957 280 R HN 0.194 nan 8.270 nan 0.000 0.484 281 I N 1.441 121.975 120.570 -0.060 0.000 2.264 281 I HA -0.208 3.777 4.170 -0.309 0.000 0.248 281 I C -0.833 175.245 176.117 -0.064 0.000 1.111 281 I CA 1.369 62.616 61.300 -0.089 0.000 1.382 281 I CB -0.814 37.165 38.000 -0.034 0.000 1.060 281 I HN 0.042 nan 8.210 nan 0.000 0.418 282 P HA -0.102 nan 4.420 nan 0.000 0.217 282 P C 1.472 178.781 177.300 0.014 0.000 1.151 282 P CA 1.492 64.601 63.100 0.016 0.000 0.828 282 P CB 0.029 31.748 31.700 0.033 0.000 0.788 283 A N 0.217 123.037 122.820 -0.000 0.000 1.898 283 A HA -0.083 4.052 4.320 -0.309 0.000 0.216 283 A C 2.312 179.887 177.584 -0.016 0.000 1.181 283 A CA 1.965 54.014 52.037 0.021 0.000 0.620 283 A CB -1.611 17.415 19.000 0.044 0.000 0.819 283 A HN 0.170 nan 8.150 nan 0.000 0.442 284 A N -0.751 121.949 122.820 -0.200 0.000 1.883 284 A HA -0.265 3.870 4.320 -0.309 0.000 0.217 284 A C 2.433 179.918 177.584 -0.166 0.000 1.186 284 A CA 1.872 53.587 52.037 -0.537 0.000 0.624 284 A CB -1.578 16.688 19.000 -1.223 0.000 0.822 284 A HN 0.966 nan 8.150 nan 0.000 0.444 285 C N -0.632 118.631 119.300 -0.061 0.000 2.398 285 C HA -0.185 4.090 4.460 -0.309 0.000 0.276 285 C C 2.586 177.645 174.990 0.114 0.000 1.222 285 C CA 2.042 61.110 59.018 0.084 0.000 1.746 285 C CB -1.177 26.622 27.740 0.100 0.000 2.039 285 C HN 0.694 nan 8.230 nan 0.000 0.470 286 E N 0.519 120.774 120.200 0.092 0.000 2.077 286 E HA -0.184 3.981 4.350 -0.309 0.000 0.193 286 E C 2.063 178.710 176.600 0.079 0.000 0.989 286 E CA 1.840 58.304 56.400 0.107 0.000 0.800 286 E CB -0.391 29.396 29.700 0.145 0.000 0.746 286 E HN 0.793 nan 8.360 nan 0.000 0.452 287 E N -0.118 120.150 120.200 0.113 0.000 2.150 287 E HA -0.109 4.056 4.350 -0.309 0.000 0.193 287 E C 1.837 178.487 176.600 0.083 0.000 0.985 287 E CA 0.962 57.429 56.400 0.112 0.000 0.814 287 E CB -0.253 29.586 29.700 0.232 0.000 0.752 287 E HN 0.341 nan 8.360 nan 0.000 0.466 288 L N -0.132 121.206 121.223 0.193 0.000 2.093 288 L HA -0.089 4.066 4.340 -0.309 0.000 0.208 288 L C 2.412 179.508 176.870 0.377 0.000 1.085 288 L CA 0.701 55.730 54.840 0.315 0.000 0.755 288 L CB -0.327 41.970 42.059 0.397 0.000 0.904 288 L HN 0.197 nan 8.230 nan 0.000 0.435 289 L N -0.590 120.719 121.223 0.145 0.000 2.131 289 L HA -0.200 3.955 4.340 -0.309 0.000 0.210 289 L C 2.849 179.452 176.870 -0.446 0.000 1.092 289 L CA 1.058 55.706 54.840 -0.321 0.000 0.759 289 L CB -0.439 41.239 42.059 -0.634 0.000 0.903 289 L HN 0.257 nan 8.230 nan 0.000 0.435 290 R N 0.270 120.558 120.500 -0.353 0.000 2.061 290 R HA -0.195 3.959 4.340 -0.309 0.000 0.230 290 R C 2.481 178.611 176.300 -0.282 0.000 1.140 290 R CA 1.529 57.463 56.100 -0.278 0.000 0.940 290 R CB -0.097 30.138 30.300 -0.108 0.000 0.839 290 R HN 0.071 nan 8.270 nan 0.000 0.429 291 R N -0.148 120.140 120.500 -0.354 0.000 2.092 291 R HA -0.069 4.085 4.340 -0.309 0.000 0.231 291 R C 0.637 176.411 176.300 -0.878 0.000 1.119 291 R CA 1.537 57.228 56.100 -0.682 0.000 0.970 291 R CB -0.156 29.543 30.300 -1.001 0.000 0.864 291 R HN 0.228 nan 8.270 nan 0.000 0.440 292 F N 0.102 119.938 119.950 -0.191 0.000 2.855 292 F HA 0.433 4.788 4.527 -0.287 0.000 0.317 292 F C 0.382 176.049 175.800 -0.222 0.000 1.169 292 F CA -0.552 57.259 58.000 -0.315 0.000 1.299 292 F CB -0.048 38.770 39.000 -0.302 0.000 0.962 292 F HN -0.155 nan 8.300 nan 0.000 0.506 293 S N 1.675 117.276 115.700 -0.165 0.000 2.558 293 S HA 0.179 4.463 4.470 -0.309 0.000 0.287 293 S C 0.973 175.421 174.600 -0.253 0.000 1.321 293 S CA 0.180 58.240 58.200 -0.232 0.000 1.048 293 S CB 0.419 63.452 63.200 -0.278 0.000 0.844 293 S HN 0.566 nan 8.310 nan 0.000 0.512 294 L N 2.231 123.334 121.223 -0.201 0.000 3.515 294 L HA 0.563 4.717 4.340 -0.309 0.000 0.322 294 L C -0.804 175.966 176.870 -0.167 0.000 1.225 294 L CA -0.513 54.233 54.840 -0.157 0.000 1.104 294 L CB 0.258 42.375 42.059 0.097 0.000 1.506 294 L HN 0.339 nan 8.230 nan 0.000 0.624 295 V N 2.111 121.918 119.914 -0.178 0.000 2.472 295 V HA 0.792 4.726 4.120 -0.309 0.000 0.290 295 V C 0.372 176.363 176.094 -0.172 0.000 1.037 295 V CA 0.059 62.284 62.300 -0.125 0.000 0.908 295 V CB 1.401 33.187 31.823 -0.062 0.000 0.985 295 V HN 0.336 nan 8.190 nan 0.000 0.454 296 A N 3.293 126.040 122.820 -0.121 0.000 2.646 296 A HA 0.635 4.770 4.320 -0.309 0.000 0.312 296 A C -0.707 176.939 177.584 0.104 0.000 1.245 296 A CA -0.537 51.463 52.037 -0.061 0.000 0.755 296 A CB 0.309 19.192 19.000 -0.194 0.000 1.132 296 A HN 0.720 nan 8.150 nan 0.000 0.458 297 D N 0.434 120.935 120.400 0.167 0.000 2.478 297 D HA 0.787 5.241 4.640 -0.309 0.000 0.263 297 D C 0.755 177.187 176.300 0.220 0.000 1.153 297 D CA 0.622 54.764 54.000 0.237 0.000 1.038 297 D CB 1.737 42.675 40.800 0.230 0.000 1.120 297 D HN 0.657 nan 8.370 nan 0.000 0.564 298 G N -0.939 107.962 108.800 0.168 0.000 2.827 298 G HA2 0.681 4.456 3.960 -0.309 0.000 0.296 298 G HA3 0.681 4.456 3.960 -0.309 0.000 0.296 298 G C -1.126 173.814 174.900 0.068 0.000 1.362 298 G CA -0.539 44.618 45.100 0.096 0.000 0.809 298 G HN 0.222 nan 8.290 nan 0.000 0.522 299 R N -1.297 119.243 120.500 0.067 0.000 2.817 299 R HA 0.584 4.739 4.340 -0.309 0.000 0.268 299 R C -1.539 174.854 176.300 0.155 0.000 1.027 299 R CA -0.765 55.400 56.100 0.109 0.000 0.928 299 R CB 1.992 32.386 30.300 0.157 0.000 1.228 299 R HN 0.580 nan 8.270 nan 0.000 0.469 300 I N 1.400 122.058 120.570 0.148 0.000 2.509 300 I HA 0.278 4.263 4.170 -0.309 0.000 0.293 300 I C -0.567 175.622 176.117 0.119 0.000 1.020 300 I CA -1.005 60.382 61.300 0.145 0.000 1.088 300 I CB 1.245 39.302 38.000 0.094 0.000 1.267 300 I HN 0.248 nan 8.210 nan 0.000 0.430 301 L N 6.642 127.933 121.223 0.113 0.000 2.462 301 L HA 0.092 4.246 4.340 -0.309 0.000 0.272 301 L C 1.605 178.465 176.870 -0.016 0.000 1.166 301 L CA 0.508 55.343 54.840 -0.009 0.000 0.880 301 L CB 0.969 43.053 42.059 0.042 0.000 1.142 301 L HN 0.820 nan 8.230 nan 0.000 0.473 302 T N -1.346 113.161 114.554 -0.078 0.000 3.023 302 T HA 0.031 4.195 4.350 -0.309 0.000 0.266 302 T C 0.778 175.451 174.700 -0.045 0.000 1.093 302 T CA 0.542 62.607 62.100 -0.059 0.000 1.129 302 T CB 0.143 68.950 68.868 -0.101 0.000 0.899 302 T HN 0.644 nan 8.240 nan 0.000 0.491 303 S N -0.304 115.374 115.700 -0.035 0.000 2.636 303 S HA 0.447 4.732 4.470 -0.309 0.000 0.268 303 S C -2.060 172.556 174.600 0.026 0.000 1.159 303 S CA -1.175 57.023 58.200 -0.003 0.000 0.815 303 S CB 1.014 64.211 63.200 -0.005 0.000 1.130 303 S HN 0.069 nan 8.310 nan 0.000 0.471 304 D N 1.159 121.579 120.400 0.035 0.000 2.455 304 D HA 0.414 4.869 4.640 -0.309 0.000 0.241 304 D C -0.894 175.479 176.300 0.121 0.000 1.138 304 D CA 1.039 55.070 54.000 0.051 0.000 0.877 304 D CB 0.068 40.885 40.800 0.027 0.000 1.187 304 D HN 0.525 nan 8.370 nan 0.000 0.451 305 Y N 0.652 120.895 120.300 -0.094 0.000 2.390 305 Y HA 0.149 4.513 4.550 -0.309 0.000 0.324 305 Y C -1.123 174.716 175.900 -0.102 0.000 1.151 305 Y CA -1.023 56.973 58.100 -0.172 0.000 1.053 305 Y CB 1.247 39.468 38.460 -0.399 0.000 1.277 305 Y HN 0.334 nan 8.280 nan 0.000 0.432 306 E N 6.281 126.259 120.200 -0.370 0.000 2.130 306 E HA 0.303 4.468 4.350 -0.309 0.000 0.284 306 E C -1.844 174.346 176.600 -0.683 0.000 1.018 306 E CA -0.430 55.742 56.400 -0.380 0.000 0.817 306 E CB 0.511 30.095 29.700 -0.194 0.000 1.078 306 E HN 0.444 nan 8.360 nan 0.000 0.396 307 F N 5.725 125.277 119.950 -0.664 0.000 2.403 307 F HA 0.241 4.582 4.527 -0.309 0.000 0.355 307 F C -0.320 175.378 175.800 -0.170 0.000 1.119 307 F CA -0.662 57.026 58.000 -0.521 0.000 1.007 307 F CB 0.311 39.126 39.000 -0.308 0.000 1.194 307 F HN 0.643 nan 8.300 nan 0.000 0.443 308 H N 4.223 122.978 119.070 -0.526 0.000 2.604 308 H HA -0.192 4.179 4.556 -0.308 0.000 0.321 308 H C 1.408 176.577 175.328 -0.265 0.000 1.132 308 H CA 1.106 56.890 56.048 -0.440 0.000 1.129 308 H CB -1.015 28.377 29.762 -0.616 0.000 1.526 308 H HN 1.171 nan 8.280 nan 0.000 0.415 309 G N -1.126 107.586 108.800 -0.147 0.000 2.179 309 G HA2 -0.310 3.464 3.960 -0.309 0.000 0.260 309 G HA3 -0.310 3.464 3.960 -0.309 0.000 0.260 309 G C 0.231 175.093 174.900 -0.063 0.000 0.977 309 G CA 0.280 45.328 45.100 -0.086 0.000 0.641 309 G HN 0.492 nan 8.290 nan 0.000 0.533 310 V N 0.570 120.423 119.914 -0.101 0.000 2.495 310 V HA 0.605 4.540 4.120 -0.309 0.000 0.298 310 V C 0.306 176.326 176.094 -0.124 0.000 1.031 310 V CA -0.774 61.462 62.300 -0.107 0.000 0.871 310 V CB 1.831 33.532 31.823 -0.202 0.000 0.988 310 V HN 0.342 nan 8.190 nan 0.000 0.432 311 Q N 4.445 124.230 119.800 -0.025 0.000 2.344 311 Q HA 0.438 4.592 4.340 -0.309 0.000 0.253 311 Q C -1.062 175.020 176.000 0.137 0.000 1.050 311 Q CA 0.281 56.107 55.803 0.038 0.000 0.912 311 Q CB 0.451 29.251 28.738 0.104 0.000 1.258 311 Q HN 0.683 nan 8.270 nan 0.000 0.443 312 L N 3.503 124.746 121.223 0.034 0.000 2.307 312 L HA 0.533 4.688 4.340 -0.309 0.000 0.282 312 L C 0.154 177.116 176.870 0.152 0.000 1.051 312 L CA -0.798 54.126 54.840 0.140 0.000 0.804 312 L CB 1.370 43.404 42.059 -0.041 0.000 1.197 312 L HN 0.479 nan 8.230 nan 0.000 0.431 313 K N 2.860 123.368 120.400 0.180 0.000 2.138 313 K HA 0.244 4.379 4.320 -0.309 0.000 0.263 313 K C -0.307 176.323 176.600 0.050 0.000 0.965 313 K CA -0.823 55.437 56.287 -0.046 0.000 0.868 313 K CB 1.496 33.708 32.500 -0.479 0.000 1.083 313 K HN 0.450 nan 8.250 nan 0.000 0.443 314 K N 1.899 122.308 120.400 0.014 0.000 2.504 314 K HA -0.121 4.014 4.320 -0.309 0.000 0.278 314 K C 0.567 177.202 176.600 0.058 0.000 1.025 314 K CA 1.693 57.998 56.287 0.030 0.000 1.093 314 K CB -0.144 32.361 32.500 0.009 0.000 0.873 314 K HN 0.867 nan 8.250 nan 0.000 0.483 315 G N 3.080 111.931 108.800 0.085 0.000 2.217 315 G HA2 -0.226 3.549 3.960 -0.309 0.000 0.246 315 G HA3 -0.226 3.549 3.960 -0.309 0.000 0.246 315 G C -0.341 174.671 174.900 0.186 0.000 0.990 315 G CA 0.182 45.348 45.100 0.111 0.000 0.627 315 G HN 0.746 nan 8.290 nan 0.000 0.522 316 D N 1.558 122.120 120.400 0.269 0.000 2.488 316 D HA 0.345 4.799 4.640 -0.309 0.000 0.238 316 D C 0.936 177.471 176.300 0.392 0.000 1.138 316 D CA 0.553 54.819 54.000 0.444 0.000 0.873 316 D CB 0.502 41.747 40.800 0.741 0.000 1.183 316 D HN 0.509 nan 8.370 nan 0.000 0.458 317 Q N 0.977 120.988 119.800 0.351 0.000 2.259 317 Q HA 0.531 4.686 4.340 -0.309 0.000 0.249 317 Q C -0.254 175.977 176.000 0.384 0.000 0.914 317 Q CA -0.404 55.563 55.803 0.274 0.000 0.904 317 Q CB 2.100 30.927 28.738 0.148 0.000 1.213 317 Q HN 0.471 nan 8.270 nan 0.000 0.428 318 I N 2.875 123.639 120.570 0.325 0.000 2.478 318 I HA 0.228 4.213 4.170 -0.309 0.000 0.287 318 I C -1.542 174.678 176.117 0.172 0.000 1.042 318 I CA -1.050 60.459 61.300 0.348 0.000 1.067 318 I CB 1.157 39.368 38.000 0.351 0.000 1.233 318 I HN 0.489 nan 8.210 nan 0.000 0.431 319 L N 8.372 129.714 121.223 0.199 0.000 2.319 319 L HA 0.394 4.549 4.340 -0.309 0.000 0.280 319 L C -1.092 175.837 176.870 0.099 0.000 1.099 319 L CA 0.313 55.231 54.840 0.130 0.000 0.828 319 L CB 0.732 42.903 42.059 0.187 0.000 1.150 319 L HN 0.540 nan 8.230 nan 0.000 0.442 320 L N 7.752 128.995 121.223 0.033 0.000 2.445 320 L HA 0.405 4.559 4.340 -0.309 0.000 0.252 320 L C -2.222 174.730 176.870 0.136 0.000 1.105 320 L CA -1.681 53.127 54.840 -0.054 0.000 0.943 320 L CB 0.885 42.624 42.059 -0.534 0.000 1.277 320 L HN 0.485 nan 8.230 nan 0.000 0.465 321 P HA 0.138 nan 4.420 nan 0.000 0.275 321 P C 0.202 177.527 177.300 0.042 0.000 1.276 321 P CA -0.179 62.964 63.100 0.073 0.000 0.782 321 P CB 1.088 32.835 31.700 0.079 0.000 0.851 322 Q N 2.673 122.505 119.800 0.053 0.000 2.152 322 Q HA -0.215 3.940 4.340 -0.309 0.000 0.206 322 Q C 1.907 177.856 176.000 -0.085 0.000 0.985 322 Q CA 1.755 57.563 55.803 0.009 0.000 0.863 322 Q CB -0.586 28.127 28.738 -0.042 0.000 0.904 322 Q HN 0.516 nan 8.270 nan 0.000 0.422 323 M N -0.279 119.212 119.600 -0.183 0.000 2.106 323 M HA -0.217 4.077 4.480 -0.309 0.000 0.259 323 M C 1.475 177.671 176.300 -0.174 0.000 1.068 323 M CA 1.586 56.735 55.300 -0.252 0.000 1.100 323 M CB -0.024 32.306 32.600 -0.450 0.000 1.351 323 M HN 0.295 nan 8.290 nan 0.000 0.404 324 L N -0.458 120.698 121.223 -0.111 0.000 2.217 324 L HA -0.126 4.029 4.340 -0.309 0.000 0.211 324 L C 2.402 179.241 176.870 -0.053 0.000 1.107 324 L CA 0.760 55.566 54.840 -0.055 0.000 0.783 324 L CB -0.502 41.557 42.059 -0.000 0.000 0.919 324 L HN 0.349 nan 8.230 nan 0.000 0.442 325 S N 0.353 116.027 115.700 -0.044 0.000 2.359 325 S HA -0.154 4.131 4.470 -0.309 0.000 0.224 325 S C 1.989 176.564 174.600 -0.042 0.000 1.035 325 S CA 1.432 59.608 58.200 -0.040 0.000 1.018 325 S CB -0.633 62.548 63.200 -0.031 0.000 0.876 325 S HN 0.596 nan 8.310 nan 0.000 0.448 326 G N 1.068 109.844 108.800 -0.039 0.000 2.484 326 G HA2 0.003 3.778 3.960 -0.309 0.000 0.218 326 G HA3 0.003 3.778 3.960 -0.309 0.000 0.218 326 G C 1.189 176.043 174.900 -0.076 0.000 1.130 326 G CA 0.246 45.324 45.100 -0.036 0.000 0.784 326 G HN 0.450 nan 8.290 nan 0.000 0.543 327 L N 0.205 121.374 121.223 -0.090 0.000 2.418 327 L HA 0.137 4.292 4.340 -0.309 0.000 0.218 327 L C 0.742 177.573 176.870 -0.065 0.000 1.125 327 L CA -0.214 54.572 54.840 -0.091 0.000 0.835 327 L CB -0.135 41.869 42.059 -0.091 0.000 0.953 327 L HN 0.039 nan 8.230 nan 0.000 0.454 328 D N 1.417 121.782 120.400 -0.058 0.000 2.434 328 D HA -0.106 4.349 4.640 -0.309 0.000 0.252 328 D C 1.087 177.359 176.300 -0.047 0.000 1.185 328 D CA 0.439 54.408 54.000 -0.053 0.000 0.886 328 D CB 1.113 41.880 40.800 -0.054 0.000 1.148 328 D HN 0.142 nan 8.370 nan 0.000 0.483 329 E N 3.287 123.461 120.200 -0.042 0.000 2.265 329 E HA -0.171 3.994 4.350 -0.309 0.000 0.196 329 E C 1.414 177.995 176.600 -0.032 0.000 0.996 329 E CA 0.556 56.935 56.400 -0.034 0.000 0.832 329 E CB 0.283 29.966 29.700 -0.029 0.000 0.756 329 E HN 0.450 nan 8.360 nan 0.000 0.491 330 R N 0.031 120.508 120.500 -0.037 0.000 2.189 330 R HA -0.072 4.083 4.340 -0.309 0.000 0.223 330 R C 1.852 178.132 176.300 -0.034 0.000 1.092 330 R CA 0.998 57.077 56.100 -0.036 0.000 0.989 330 R CB 0.067 30.341 30.300 -0.043 0.000 0.876 330 R HN 0.244 nan 8.270 nan 0.000 0.457 331 E N -0.318 119.860 120.200 -0.037 0.000 2.201 331 E HA 0.096 4.261 4.350 -0.309 0.000 0.193 331 E C -0.032 176.550 176.600 -0.029 0.000 0.957 331 E CA 0.338 56.717 56.400 -0.035 0.000 0.858 331 E CB 0.480 30.155 29.700 -0.041 0.000 0.816 331 E HN 0.221 nan 8.360 nan 0.000 0.475 332 N N 0.484 119.166 118.700 -0.031 0.000 2.430 332 N HA 0.298 4.852 4.740 -0.309 0.000 0.290 332 N C -1.075 174.420 175.510 -0.026 0.000 1.063 332 N CA -0.167 52.865 53.050 -0.029 0.000 0.883 332 N CB 2.165 40.629 38.487 -0.038 0.000 1.465 332 N HN -0.025 nan 8.380 nan 0.000 0.493 333 A N 1.536 124.347 122.820 -0.015 0.000 2.483 333 A HA 0.454 4.589 4.320 -0.309 0.000 0.238 333 A C 1.018 178.605 177.584 0.005 0.000 1.070 333 A CA 0.494 52.529 52.037 -0.003 0.000 0.770 333 A CB -0.163 18.840 19.000 0.006 0.000 1.008 333 A HN 1.177 nan 8.150 nan 0.000 0.497 334 A N 2.556 125.387 122.820 0.018 0.000 2.415 334 A HA -0.091 4.043 4.320 -0.309 0.000 0.292 334 A C -0.674 176.922 177.584 0.020 0.000 1.452 334 A CA 0.700 52.761 52.037 0.041 0.000 0.750 334 A CB -1.430 17.636 19.000 0.111 0.000 1.099 334 A HN 0.769 nan 8.150 nan 0.000 0.391 335 P HA -0.162 nan 4.420 nan 0.000 0.222 335 P C 1.288 178.530 177.300 -0.098 0.000 1.147 335 P CA 1.082 64.144 63.100 -0.064 0.000 0.790 335 P CB -0.034 31.627 31.700 -0.065 0.000 0.780 336 M N -1.664 117.900 119.600 -0.059 0.000 2.558 336 M HA 0.001 4.296 4.480 -0.309 0.000 0.255 336 M C 1.202 177.475 176.300 -0.045 0.000 1.113 336 M CA 0.393 55.644 55.300 -0.081 0.000 1.097 336 M CB -1.484 31.096 32.600 -0.033 0.000 1.426 336 M HN 0.134 nan 8.290 nan 0.000 0.488 337 H N 1.080 120.085 119.070 -0.109 0.000 2.690 337 H HA 0.289 4.659 4.556 -0.310 0.000 0.314 337 H C -1.004 174.237 175.328 -0.145 0.000 1.069 337 H CA -0.433 55.564 56.048 -0.084 0.000 1.436 337 H CB 1.209 30.949 29.762 -0.036 0.000 1.462 337 H HN -0.177 nan 8.280 nan 0.000 0.511 338 V N 5.872 125.679 119.914 -0.179 0.000 2.408 338 V HA 0.020 3.955 4.120 -0.309 0.000 0.267 338 V C 0.010 175.847 176.094 -0.428 0.000 1.047 338 V CA 0.065 62.114 62.300 -0.419 0.000 0.937 338 V CB 0.959 32.321 31.823 -0.770 0.000 0.999 338 V HN 0.778 nan 8.190 nan 0.000 0.472 339 D N 4.226 124.367 120.400 -0.433 0.000 2.386 339 D HA 0.328 4.782 4.640 -0.309 0.000 0.247 339 D C 0.288 176.554 176.300 -0.057 0.000 1.336 339 D CA -0.525 53.269 54.000 -0.343 0.000 0.976 339 D CB 0.877 41.383 40.800 -0.490 0.000 1.257 339 D HN 0.192 nan 8.370 nan 0.000 0.570 340 F N 1.341 121.319 119.950 0.047 0.000 2.546 340 F HA 0.031 4.369 4.527 -0.316 0.000 0.298 340 F C 2.054 177.873 175.800 0.031 0.000 1.120 340 F CA 0.409 58.443 58.000 0.057 0.000 1.456 340 F CB -0.339 38.725 39.000 0.107 0.000 1.088 340 F HN 0.284 nan 8.300 nan 0.000 0.572 341 S N -0.944 114.856 115.700 0.166 0.000 2.572 341 S HA 0.145 4.429 4.470 -0.309 0.000 0.228 341 S C 0.657 175.293 174.600 0.059 0.000 0.963 341 S CA -0.466 57.796 58.200 0.102 0.000 0.939 341 S CB -0.112 63.135 63.200 0.078 0.000 0.804 341 S HN 0.131 nan 8.310 nan 0.000 0.480 342 R N 2.019 122.545 120.500 0.044 0.000 2.504 342 R HA 0.018 4.173 4.340 -0.309 0.000 0.291 342 R C 1.185 177.505 176.300 0.033 0.000 0.974 342 R CA 0.109 56.222 56.100 0.021 0.000 1.077 342 R CB 0.257 30.561 30.300 0.007 0.000 0.926 342 R HN 0.247 nan 8.270 nan 0.000 0.407 343 Q N 2.255 122.070 119.800 0.024 0.000 2.124 343 Q HA -0.103 4.051 4.340 -0.309 0.000 0.202 343 Q C -0.130 175.884 176.000 0.022 0.000 0.977 343 Q CA 1.701 57.518 55.803 0.024 0.000 0.850 343 Q CB 0.184 28.933 28.738 0.018 0.000 0.901 343 Q HN 0.424 nan 8.270 nan 0.000 0.429 344 K N 0.362 120.772 120.400 0.017 0.000 2.604 344 K HA 0.397 4.532 4.320 -0.309 0.000 0.247 344 K C -1.341 175.267 176.600 0.014 0.000 0.956 344 K CA -0.296 55.999 56.287 0.013 0.000 0.896 344 K CB 2.535 35.038 32.500 0.004 0.000 1.131 344 K HN -0.223 nan 8.250 nan 0.000 0.440 345 V N 2.292 122.222 119.914 0.027 0.000 2.348 345 V HA 0.201 4.136 4.120 -0.309 0.000 0.270 345 V C -0.092 176.018 176.094 0.027 0.000 1.037 345 V CA -0.457 61.872 62.300 0.048 0.000 0.872 345 V CB 1.198 33.079 31.823 0.097 0.000 1.002 345 V HN 0.700 nan 8.190 nan 0.000 0.464 346 S N 5.144 120.851 115.700 0.012 0.000 2.437 346 S HA 0.780 5.065 4.470 -0.309 0.000 0.305 346 S C -0.682 173.927 174.600 0.015 0.000 1.109 346 S CA -0.440 57.739 58.200 -0.036 0.000 1.099 346 S CB 0.404 63.582 63.200 -0.036 0.000 1.004 346 S HN 1.115 nan 8.310 nan 0.000 0.475 347 H N 0.077 119.118 119.070 -0.049 0.000 2.967 347 H HA 0.554 4.926 4.556 -0.306 0.000 0.318 347 H C -0.601 174.690 175.328 -0.062 0.000 1.375 347 H CA -0.384 55.620 56.048 -0.074 0.000 1.132 347 H CB 0.838 30.539 29.762 -0.100 0.000 1.848 347 H HN 0.342 nan 8.280 nan 0.000 0.524 348 T N -2.217 112.421 114.554 0.141 0.000 3.533 348 T HA 0.192 4.357 4.350 -0.309 0.000 0.275 348 T C 0.289 175.048 174.700 0.097 0.000 1.000 348 T CA 0.050 62.210 62.100 0.099 0.000 1.015 348 T CB -0.417 68.465 68.868 0.022 0.000 1.153 348 T HN 0.625 nan 8.240 nan 0.000 0.504 349 T N 1.137 115.793 114.554 0.170 0.000 2.833 349 T HA 0.064 4.228 4.350 -0.309 0.000 0.269 349 T C 0.509 174.972 174.700 -0.395 0.000 1.054 349 T CA 1.179 63.097 62.100 -0.303 0.000 1.135 349 T CB -0.370 68.044 68.868 -0.758 0.000 0.869 349 T HN 0.521 nan 8.240 nan 0.000 0.466 350 F N 1.076 121.026 119.950 0.000 0.000 2.660 350 F HA 0.460 4.801 4.527 -0.310 0.000 0.302 350 F C 1.644 177.404 175.800 -0.068 0.000 1.103 350 F CA -0.191 57.778 58.000 -0.051 0.000 1.340 350 F CB -0.447 38.522 39.000 -0.052 0.000 1.048 350 F HN 0.286 nan 8.300 nan 0.000 0.551 351 G N 0.007 108.833 108.800 0.044 0.000 2.627 351 G HA2 -0.083 3.691 3.960 -0.309 0.000 0.214 351 G HA3 -0.083 3.691 3.960 -0.309 0.000 0.214 351 G C -1.417 173.490 174.900 0.011 0.000 1.331 351 G CA -0.503 44.538 45.100 -0.099 0.000 0.891 351 G HN 0.529 nan 8.290 nan 0.000 0.539 352 H N -1.099 117.834 119.070 -0.228 0.000 3.068 352 H HA 0.679 5.050 4.556 -0.309 0.000 0.342 352 H C 0.534 175.846 175.328 -0.026 0.000 1.284 352 H CA 1.869 57.874 56.048 -0.071 0.000 1.181 352 H CB 1.291 31.069 29.762 0.027 0.000 1.898 352 H HN 2.695 nan 8.280 nan 0.000 0.540 353 G N 0.821 109.362 108.800 -0.431 0.000 2.632 353 G HA2 -0.240 3.535 3.960 -0.309 0.000 0.224 353 G HA3 -0.240 3.535 3.960 -0.309 0.000 0.224 353 G C 1.127 175.964 174.900 -0.105 0.000 1.341 353 G CA 0.599 45.592 45.100 -0.178 0.000 0.880 353 G HN 1.415 nan 8.290 nan 0.000 0.566 354 S N -1.284 114.374 115.700 -0.070 0.000 2.442 354 S HA -0.087 4.198 4.470 -0.309 0.000 0.236 354 S C 1.408 175.843 174.600 -0.274 0.000 1.007 354 S CA 1.922 60.002 58.200 -0.199 0.000 0.965 354 S CB -0.259 62.745 63.200 -0.326 0.000 0.773 354 S HN 0.754 nan 8.310 nan 0.000 0.504 355 H N 0.499 119.536 119.070 -0.055 0.000 2.524 355 H HA 0.343 4.714 4.556 -0.309 0.000 0.280 355 H C 0.424 175.713 175.328 -0.065 0.000 1.018 355 H CA -0.386 55.633 56.048 -0.048 0.000 1.165 355 H CB -0.164 29.580 29.762 -0.030 0.000 1.411 355 H HN 0.357 nan 8.280 nan 0.000 0.569 356 L N 1.651 122.869 121.223 -0.009 0.000 2.615 356 L HA -0.103 4.051 4.340 -0.309 0.000 0.284 356 L C 0.571 177.428 176.870 -0.020 0.000 1.237 356 L CA 0.204 55.031 54.840 -0.022 0.000 0.905 356 L CB 0.210 42.239 42.059 -0.049 0.000 1.149 356 L HN 0.276 nan 8.230 nan 0.000 0.499 357 C N 6.429 125.732 119.300 0.004 0.000 2.271 357 C HA -0.056 4.219 4.460 -0.309 0.000 0.397 357 C C 1.907 176.824 174.990 -0.121 0.000 1.533 357 C CA -0.067 58.941 59.018 -0.018 0.000 1.433 357 C CB -1.553 26.223 27.740 0.060 0.000 2.511 357 C HN 0.943 nan 8.230 nan 0.000 0.610 358 L N 5.163 126.346 121.223 -0.067 0.000 2.217 358 L HA 0.071 4.226 4.340 -0.309 0.000 0.211 358 L C 2.479 179.284 176.870 -0.108 0.000 1.107 358 L CA 1.492 56.288 54.840 -0.074 0.000 0.783 358 L CB -0.436 41.615 42.059 -0.014 0.000 0.919 358 L HN 0.947 nan 8.230 nan 0.000 0.442 359 G N -0.432 108.302 108.800 -0.109 0.000 3.026 359 G HA2 -0.095 3.679 3.960 -0.309 0.000 0.208 359 G HA3 -0.095 3.679 3.960 -0.309 0.000 0.208 359 G C 1.372 176.111 174.900 -0.268 0.000 1.169 359 G CA 0.141 45.173 45.100 -0.113 0.000 0.788 359 G HN 0.560 nan 8.290 nan 0.000 0.533 360 Q N -0.285 119.176 119.800 -0.566 0.000 2.135 360 Q HA -0.189 3.966 4.340 -0.309 0.000 0.204 360 Q C 1.844 177.392 176.000 -0.754 0.000 0.981 360 Q CA 1.436 56.545 55.803 -1.158 0.000 0.856 360 Q CB -0.483 27.336 28.738 -1.530 0.000 0.902 360 Q HN 0.487 nan 8.270 nan 0.000 0.425 361 H N 0.285 119.181 119.070 -0.290 0.000 2.372 361 H HA -0.026 4.344 4.556 -0.309 0.000 0.301 361 H C 2.190 177.467 175.328 -0.084 0.000 1.065 361 H CA 1.231 57.187 56.048 -0.154 0.000 1.364 361 H CB -0.228 29.471 29.762 -0.105 0.000 1.406 361 H HN 0.246 nan 8.280 nan 0.000 0.521 362 L N 1.413 122.654 121.223 0.030 0.000 2.012 362 L HA -0.118 4.037 4.340 -0.309 0.000 0.210 362 L C 2.576 179.473 176.870 0.045 0.000 1.073 362 L CA 1.897 56.755 54.840 0.029 0.000 0.748 362 L CB -0.938 41.128 42.059 0.012 0.000 0.891 362 L HN 0.193 nan 8.230 nan 0.000 0.431 363 A N -0.488 122.345 122.820 0.022 0.000 1.883 363 A HA -0.255 3.880 4.320 -0.309 0.000 0.217 363 A C 2.445 180.126 177.584 0.162 0.000 1.186 363 A CA 2.004 54.109 52.037 0.114 0.000 0.624 363 A CB -0.620 18.486 19.000 0.177 0.000 0.822 363 A HN 0.510 nan 8.150 nan 0.000 0.444 364 R N -1.456 119.111 120.500 0.111 0.000 2.091 364 R HA -0.141 4.014 4.340 -0.309 0.000 0.238 364 R C 2.480 178.870 176.300 0.150 0.000 1.136 364 R CA 1.658 57.845 56.100 0.145 0.000 0.959 364 R CB -0.246 30.119 30.300 0.108 0.000 0.856 364 R HN 0.383 nan 8.270 nan 0.000 0.437 365 R N 1.166 121.745 120.500 0.131 0.000 2.075 365 R HA -0.090 4.064 4.340 -0.309 0.000 0.232 365 R C 1.826 178.248 176.300 0.204 0.000 1.126 365 R CA 1.539 57.723 56.100 0.140 0.000 0.963 365 R CB -0.146 30.218 30.300 0.108 0.000 0.858 365 R HN 0.290 nan 8.270 nan 0.000 0.435 366 E N -0.309 120.033 120.200 0.237 0.000 2.058 366 E HA -0.218 3.947 4.350 -0.309 0.000 0.194 366 E C 1.992 178.850 176.600 0.430 0.000 0.997 366 E CA 1.699 58.341 56.400 0.404 0.000 0.801 366 E CB -0.225 29.686 29.700 0.352 0.000 0.746 366 E HN 0.330 nan 8.360 nan 0.000 0.450 367 I N 0.876 121.646 120.570 0.335 0.000 2.142 367 I HA -0.290 3.694 4.170 -0.309 0.000 0.240 367 I C 2.418 178.663 176.117 0.212 0.000 1.078 367 I CA 1.130 62.614 61.300 0.308 0.000 1.343 367 I CB -0.226 37.980 38.000 0.343 0.000 1.046 367 I HN 0.081 nan 8.210 nan 0.000 0.405 368 I N -0.106 120.572 120.570 0.180 0.000 2.179 368 I HA -0.274 3.711 4.170 -0.309 0.000 0.242 368 I C 2.524 178.712 176.117 0.118 0.000 1.088 368 I CA 1.260 62.634 61.300 0.123 0.000 1.357 368 I CB -0.381 37.681 38.000 0.104 0.000 1.051 368 I HN 0.022 nan 8.210 nan 0.000 0.409 369 V N 0.497 120.505 119.914 0.156 0.000 2.332 369 V HA -0.309 3.626 4.120 -0.309 0.000 0.248 369 V C 2.498 178.665 176.094 0.123 0.000 1.055 369 V CA 2.521 64.914 62.300 0.155 0.000 1.038 369 V CB -0.999 30.960 31.823 0.226 0.000 0.651 369 V HN 0.491 nan 8.190 nan 0.000 0.450 370 T N 0.522 115.151 114.554 0.124 0.000 2.674 370 T HA -0.141 4.024 4.350 -0.309 0.000 0.265 370 T C 1.873 176.580 174.700 0.012 0.000 1.039 370 T CA 1.712 63.826 62.100 0.024 0.000 1.150 370 T CB -0.319 68.566 68.868 0.028 0.000 0.864 370 T HN 0.317 nan 8.240 nan 0.000 0.427 371 L N 0.321 121.563 121.223 0.032 0.000 2.046 371 L HA -0.102 4.053 4.340 -0.309 0.000 0.208 371 L C 2.680 179.586 176.870 0.061 0.000 1.077 371 L CA 1.441 56.298 54.840 0.027 0.000 0.747 371 L CB -0.498 41.573 42.059 0.020 0.000 0.896 371 L HN 0.199 nan 8.230 nan 0.000 0.432 372 K N -0.243 120.191 120.400 0.056 0.000 2.032 372 K HA -0.168 3.966 4.320 -0.309 0.000 0.209 372 K C 2.150 178.776 176.600 0.044 0.000 1.048 372 K CA 1.351 57.668 56.287 0.050 0.000 0.927 372 K CB -0.025 32.505 32.500 0.049 0.000 0.712 372 K HN 0.221 nan 8.250 nan 0.000 0.441 373 E N -0.100 120.126 120.200 0.044 0.000 2.107 373 E HA -0.175 3.990 4.350 -0.309 0.000 0.191 373 E C 1.702 178.285 176.600 -0.028 0.000 0.982 373 E CA 0.652 57.058 56.400 0.011 0.000 0.809 373 E CB -0.222 29.492 29.700 0.022 0.000 0.756 373 E HN 0.465 nan 8.360 nan 0.000 0.459 374 W N 1.568 122.753 121.300 -0.192 0.000 2.379 374 W HA -0.077 4.403 4.660 -0.300 0.000 0.307 374 W C 1.831 178.233 176.519 -0.194 0.000 1.200 374 W CA 0.924 58.097 57.345 -0.287 0.000 1.297 374 W CB -0.306 28.895 29.460 -0.431 0.000 1.140 374 W HN 0.026 nan 8.180 nan 0.000 0.507 375 L N 0.153 121.486 121.223 0.183 0.000 2.201 375 L HA -0.199 3.956 4.340 -0.309 0.000 0.212 375 L C 2.368 179.261 176.870 0.038 0.000 1.105 375 L CA 1.519 56.455 54.840 0.159 0.000 0.775 375 L CB -1.088 41.061 42.059 0.150 0.000 0.913 375 L HN -0.167 nan 8.230 nan 0.000 0.440 376 T N -0.747 113.802 114.554 -0.008 0.000 2.821 376 T HA -0.137 4.028 4.350 -0.309 0.000 0.267 376 T C 2.056 176.701 174.700 -0.092 0.000 1.046 376 T CA 1.292 63.370 62.100 -0.036 0.000 1.139 376 T CB -0.015 68.834 68.868 -0.032 0.000 0.871 376 T HN 0.305 nan 8.240 nan 0.000 0.454 377 R N -0.319 120.070 120.500 -0.185 0.000 2.195 377 R HA 0.363 4.518 4.340 -0.309 0.000 0.197 377 R C 0.361 176.444 176.300 -0.361 0.000 0.990 377 R CA 0.523 56.465 56.100 -0.263 0.000 1.048 377 R CB 0.570 30.677 30.300 -0.322 0.000 0.997 377 R HN 0.293 nan 8.270 nan 0.000 0.502 378 I N 1.906 122.189 120.570 -0.479 0.000 2.871 378 I HA 0.184 4.169 4.170 -0.309 0.000 0.284 378 I C -2.023 174.061 176.117 -0.055 0.000 1.390 378 I CA -1.455 59.535 61.300 -0.516 0.000 0.958 378 I CB 2.044 39.273 38.000 -1.285 0.000 1.618 378 I HN -0.136 nan 8.210 nan 0.000 0.595 379 P HA -0.080 nan 4.420 nan 0.000 0.221 379 P C 0.212 177.618 177.300 0.176 0.000 1.150 379 P CA 1.252 64.440 63.100 0.147 0.000 0.800 379 P CB 0.419 32.154 31.700 0.059 0.000 0.787 380 D N -0.103 120.403 120.400 0.177 0.000 2.408 380 D HA 0.425 4.879 4.640 -0.309 0.000 0.243 380 D C -0.937 175.537 176.300 0.290 0.000 1.075 380 D CA -0.732 53.331 54.000 0.105 0.000 0.832 380 D CB 0.724 41.570 40.800 0.078 0.000 1.162 380 D HN -0.073 nan 8.370 nan 0.000 0.515 381 F N 0.209 120.235 119.950 0.128 0.000 2.693 381 F HA 0.738 5.284 4.527 0.032 0.000 0.309 381 F C -1.095 174.778 175.800 0.121 0.000 1.129 381 F CA -0.894 57.232 58.000 0.210 0.000 0.948 381 F CB 1.066 40.236 39.000 0.283 0.000 1.315 381 F HN 0.051 nan 8.300 nan 0.000 0.447 382 S N 1.494 117.366 115.700 0.287 0.000 2.661 382 S HA 0.646 4.931 4.470 -0.309 0.000 0.285 382 S C -0.891 173.818 174.600 0.182 0.000 1.138 382 S CA -0.834 57.437 58.200 0.119 0.000 0.855 382 S CB 1.781 65.021 63.200 0.068 0.000 1.136 382 S HN 0.598 nan 8.310 nan 0.000 0.484 383 I N 2.148 122.773 120.570 0.091 0.000 2.710 383 I HA 0.102 4.087 4.170 -0.309 0.000 0.286 383 I C 1.053 177.216 176.117 0.077 0.000 1.181 383 I CA -0.181 61.168 61.300 0.081 0.000 1.430 383 I CB -0.374 37.648 38.000 0.036 0.000 1.367 383 I HN 0.797 nan 8.210 nan 0.000 0.577 384 A N 9.050 131.917 122.820 0.078 0.000 2.548 384 A HA 0.252 4.386 4.320 -0.309 0.000 0.247 384 A C -2.037 175.566 177.584 0.032 0.000 1.067 384 A CA -0.718 51.350 52.037 0.051 0.000 0.757 384 A CB -0.937 18.088 19.000 0.042 0.000 0.996 384 A HN 0.512 nan 8.150 nan 0.000 0.504 385 P HA 0.215 nan 4.420 nan 0.000 0.265 385 P C 1.192 178.498 177.300 0.011 0.000 1.187 385 P CA 1.699 64.807 63.100 0.014 0.000 0.766 385 P CB 0.537 32.243 31.700 0.009 0.000 0.820 386 G N 1.510 110.316 108.800 0.009 0.000 2.245 386 G HA2 -0.252 3.522 3.960 -0.309 0.000 0.264 386 G HA3 -0.252 3.522 3.960 -0.309 0.000 0.264 386 G C 0.456 175.361 174.900 0.009 0.000 0.985 386 G CA 0.125 45.229 45.100 0.007 0.000 0.625 386 G HN 0.885 nan 8.290 nan 0.000 0.536 387 A N 0.121 122.949 122.820 0.013 0.000 2.409 387 A HA 0.658 4.792 4.320 -0.309 0.000 0.262 387 A C 0.369 177.960 177.584 0.012 0.000 1.113 387 A CA 0.936 52.982 52.037 0.016 0.000 0.790 387 A CB 0.544 19.559 19.000 0.024 0.000 1.046 387 A HN 1.101 nan 8.150 nan 0.000 0.496 388 Q N 2.930 122.735 119.800 0.009 0.000 2.325 388 Q HA 0.505 4.659 4.340 -0.309 0.000 0.262 388 Q C -1.057 174.945 176.000 0.003 0.000 0.968 388 Q CA -0.692 55.112 55.803 0.003 0.000 0.877 388 Q CB 0.864 29.601 28.738 -0.001 0.000 1.253 388 Q HN 0.569 nan 8.270 nan 0.000 0.448 389 I N 3.478 124.045 120.570 -0.005 0.000 2.441 389 I HA 0.201 4.186 4.170 -0.309 0.000 0.287 389 I C 0.128 176.226 176.117 -0.033 0.000 1.049 389 I CA -0.015 61.286 61.300 0.002 0.000 1.381 389 I CB 1.051 39.064 38.000 0.021 0.000 1.409 389 I HN 0.750 nan 8.210 nan 0.000 0.523 390 Q N 5.633 125.446 119.800 0.022 0.000 2.322 390 Q HA 0.398 4.552 4.340 -0.309 0.000 0.265 390 Q C -0.692 175.411 176.000 0.171 0.000 0.985 390 Q CA -0.501 55.324 55.803 0.037 0.000 0.849 390 Q CB 2.130 30.894 28.738 0.044 0.000 1.274 390 Q HN 0.606 nan 8.270 nan 0.000 0.449 391 H N 0.895 120.023 119.070 0.096 0.000 2.508 391 H HA 0.433 4.800 4.556 -0.315 0.000 0.344 391 H C -0.139 175.267 175.328 0.130 0.000 1.192 391 H CA -0.745 55.385 56.048 0.135 0.000 1.290 391 H CB 1.562 31.482 29.762 0.262 0.000 1.571 391 H HN 0.388 nan 8.280 nan 0.000 0.555 392 K N 0.132 120.692 120.400 0.267 0.000 2.385 392 K HA 0.591 4.726 4.320 -0.309 0.000 0.248 392 K C -1.167 175.584 176.600 0.250 0.000 0.955 392 K CA -1.001 55.410 56.287 0.207 0.000 0.816 392 K CB 2.433 35.014 32.500 0.135 0.000 1.250 392 K HN 0.339 nan 8.250 nan 0.000 0.434 393 S N -0.014 115.838 115.700 0.254 0.000 2.500 393 S HA 0.859 5.144 4.470 -0.309 0.000 0.301 393 S C -0.634 174.136 174.600 0.283 0.000 1.092 393 S CA 0.098 58.492 58.200 0.323 0.000 1.030 393 S CB 1.315 64.731 63.200 0.361 0.000 1.031 393 S HN 0.977 nan 8.310 nan 0.000 0.483 394 G N 2.948 111.896 108.800 0.247 0.000 2.474 394 G HA2 0.266 4.041 3.960 -0.309 0.000 0.234 394 G HA3 0.266 4.041 3.960 -0.309 0.000 0.234 394 G C 0.292 175.232 174.900 0.067 0.000 1.204 394 G CA -0.360 44.828 45.100 0.146 0.000 0.939 394 G HN 0.595 nan 8.290 nan 0.000 0.491 395 I N 0.018 120.633 120.570 0.076 0.000 2.252 395 I HA 0.019 4.003 4.170 -0.309 0.000 0.245 395 I C 0.523 176.652 176.117 0.019 0.000 1.102 395 I CA 1.124 62.448 61.300 0.039 0.000 1.385 395 I CB -0.086 37.911 38.000 -0.004 0.000 1.064 395 I HN -0.017 nan 8.210 nan 0.000 0.414 396 V N 1.271 121.207 119.914 0.037 0.000 2.313 396 V HA 0.247 4.181 4.120 -0.309 0.000 0.278 396 V C 0.061 176.203 176.094 0.080 0.000 1.017 396 V CA -0.511 61.813 62.300 0.041 0.000 0.823 396 V CB 1.082 32.932 31.823 0.045 0.000 1.010 396 V HN 0.109 nan 8.190 nan 0.000 0.443 397 S N 2.858 118.609 115.700 0.084 0.000 2.603 397 S HA 0.832 5.116 4.470 -0.309 0.000 0.268 397 S C 0.563 175.322 174.600 0.266 0.000 1.317 397 S CA 0.237 58.541 58.200 0.174 0.000 1.012 397 S CB 1.588 64.868 63.200 0.133 0.000 0.926 397 S HN 1.129 nan 8.310 nan 0.000 0.539 398 G N -0.320 108.606 108.800 0.210 0.000 2.554 398 G HA2 0.532 4.307 3.960 -0.309 0.000 0.306 398 G HA3 0.532 4.307 3.960 -0.309 0.000 0.306 398 G C -1.894 172.777 174.900 -0.380 0.000 1.320 398 G CA -0.518 44.486 45.100 -0.159 0.000 0.800 398 G HN 0.636 nan 8.290 nan 0.000 0.481 399 V N 1.304 120.930 119.914 -0.480 0.000 2.495 399 V HA 0.319 4.254 4.120 -0.309 0.000 0.298 399 V C 0.845 176.881 176.094 -0.098 0.000 1.031 399 V CA -0.600 61.526 62.300 -0.291 0.000 0.871 399 V CB 1.589 33.157 31.823 -0.424 0.000 0.988 399 V HN 0.774 nan 8.190 nan 0.000 0.432 400 Q N 2.729 122.532 119.800 0.004 0.000 2.046 400 Q HA 0.114 4.269 4.340 -0.309 0.000 0.200 400 Q C 0.650 176.653 176.000 0.004 0.000 0.975 400 Q CA 1.533 57.343 55.803 0.012 0.000 0.836 400 Q CB 0.306 29.067 28.738 0.037 0.000 0.896 400 Q HN 0.904 nan 8.270 nan 0.000 0.428 401 A N -0.184 122.644 122.820 0.014 0.000 2.605 401 A HA 0.538 4.673 4.320 -0.309 0.000 0.294 401 A C -1.822 175.784 177.584 0.037 0.000 1.062 401 A CA -0.599 51.452 52.037 0.024 0.000 0.682 401 A CB 1.260 20.277 19.000 0.029 0.000 1.278 401 A HN 0.096 nan 8.150 nan 0.000 0.410 402 L N 2.341 123.602 121.223 0.064 0.000 2.480 402 L HA 0.454 4.609 4.340 -0.309 0.000 0.253 402 L C -2.546 174.391 176.870 0.112 0.000 1.324 402 L CA -1.621 53.266 54.840 0.079 0.000 0.916 402 L CB 1.564 43.674 42.059 0.085 0.000 1.160 402 L HN 0.441 nan 8.230 nan 0.000 0.503 403 P HA 0.161 nan 4.420 nan 0.000 0.270 403 P C -0.885 176.494 177.300 0.132 0.000 1.242 403 P CA 0.281 63.443 63.100 0.102 0.000 0.768 403 P CB 0.691 32.429 31.700 0.064 0.000 0.820 404 L N 4.023 125.368 121.223 0.203 0.000 2.342 404 L HA 0.678 4.832 4.340 -0.309 0.000 0.271 404 L C 0.463 177.508 176.870 0.291 0.000 1.008 404 L CA -1.245 53.775 54.840 0.300 0.000 0.818 404 L CB 2.238 44.542 42.059 0.408 0.000 1.296 404 L HN 0.195 nan 8.230 nan 0.000 0.427 405 V N -1.261 118.844 119.914 0.319 0.000 2.914 405 V HA 0.792 4.727 4.120 -0.309 0.000 0.314 405 V C -1.368 174.986 176.094 0.433 0.000 1.084 405 V CA -0.580 61.807 62.300 0.146 0.000 0.963 405 V CB 1.675 33.515 31.823 0.029 0.000 1.025 405 V HN 0.957 nan 8.190 nan 0.000 0.432 406 W N 0.889 122.266 121.300 0.128 0.000 3.025 406 W HA 0.787 5.202 4.660 -0.409 0.000 0.343 406 W C -1.594 174.965 176.519 0.066 0.000 1.246 406 W CA -0.725 56.693 57.345 0.121 0.000 1.178 406 W CB 1.084 30.638 29.460 0.155 0.000 1.463 406 W HN 0.627 nan 8.180 nan 0.000 0.578 407 D N 1.539 122.109 120.400 0.283 0.000 2.359 407 D HA 0.376 4.830 4.640 -0.309 0.000 0.230 407 D C -1.524 174.918 176.300 0.236 0.000 1.118 407 D CA -2.593 51.497 54.000 0.150 0.000 0.844 407 D CB 1.887 42.752 40.800 0.109 0.000 1.059 407 D HN 0.008 nan 8.370 nan 0.000 0.493 408 P HA -0.147 nan 4.420 nan 0.000 0.218 408 P C 0.905 178.281 177.300 0.126 0.000 1.146 408 P CA 1.234 64.456 63.100 0.203 0.000 0.820 408 P CB 0.212 31.972 31.700 0.099 0.000 0.778 409 A N -0.734 122.138 122.820 0.088 0.000 2.121 409 A HA -0.109 4.025 4.320 -0.309 0.000 0.218 409 A C 1.936 179.556 177.584 0.059 0.000 1.154 409 A CA 1.933 54.005 52.037 0.059 0.000 0.679 409 A CB -1.513 17.513 19.000 0.042 0.000 0.795 409 A HN 0.352 nan 8.150 nan 0.000 0.458 410 T N -2.565 112.039 114.554 0.084 0.000 3.122 410 T HA 0.209 4.374 4.350 -0.309 0.000 0.250 410 T C 0.735 175.464 174.700 0.048 0.000 1.067 410 T CA 0.572 62.712 62.100 0.067 0.000 0.966 410 T CB -0.736 68.182 68.868 0.083 0.000 1.002 410 T HN 0.485 nan 8.240 nan 0.000 0.542 411 T N -0.082 114.499 114.554 0.046 0.000 2.923 411 T HA 0.653 4.817 4.350 -0.309 0.000 0.281 411 T C -0.758 173.927 174.700 -0.025 0.000 0.995 411 T CA -0.990 61.099 62.100 -0.020 0.000 0.985 411 T CB 1.743 70.592 68.868 -0.031 0.000 1.114 411 T HN 0.543 nan 8.240 nan 0.000 0.548 412 K N -0.206 120.157 120.400 -0.062 0.000 2.501 412 K HA 0.692 4.827 4.320 -0.309 0.000 0.252 412 K C -1.139 175.425 176.600 -0.060 0.000 0.934 412 K CA -1.202 55.058 56.287 -0.045 0.000 0.797 412 K CB 2.103 34.582 32.500 -0.034 0.000 1.270 412 K HN 0.763 nan 8.250 nan 0.000 0.431 413 A N 2.688 125.485 122.820 -0.038 0.000 2.366 413 A HA 0.530 4.665 4.320 -0.309 0.000 0.272 413 A C -0.215 177.351 177.584 -0.031 0.000 1.135 413 A CA -0.446 51.569 52.037 -0.037 0.000 0.804 413 A CB 0.544 19.531 19.000 -0.020 0.000 1.064 413 A HN 0.486 nan 8.150 nan 0.000 0.499 414 V N 0.000 119.894 119.914 -0.033 0.000 2.409 414 V HA 0.000 3.935 4.120 -0.309 0.000 0.244 414 V CA 0.000 62.286 62.300 -0.023 0.000 1.235 414 V CB 0.000 31.806 31.823 -0.029 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556