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 2gqx_1_B DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPWIP REAGEAFDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGALLLGG 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 0.000 175.499 175.510 -0.018 0.000 1.280 10 N CA 0.000 53.040 53.050 -0.016 0.000 0.885 10 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 11 L N 1.085 122.300 121.223 -0.013 0.000 2.305 11 L HA 0.681 5.020 4.340 -0.001 0.000 0.284 11 L C 0.726 177.604 176.870 0.014 0.000 1.013 11 L CA -0.619 54.215 54.840 -0.009 0.000 0.819 11 L CB 1.235 43.284 42.059 -0.017 0.000 1.227 11 L HN 0.714 nan 8.230 nan 0.000 0.417 12 A N 7.026 129.866 122.820 0.033 0.000 2.477 12 A HA 0.498 4.817 4.320 -0.001 0.000 0.246 12 A C -1.950 175.681 177.584 0.079 0.000 1.078 12 A CA -0.863 51.212 52.037 0.063 0.000 0.770 12 A CB -0.500 18.556 19.000 0.093 0.000 1.011 12 A HN 0.520 nan 8.150 nan 0.000 0.494 13 P HA -0.012 nan 4.420 nan 0.000 0.262 13 P C -0.314 176.999 177.300 0.022 0.000 1.182 13 P CA -0.111 63.007 63.100 0.031 0.000 0.761 13 P CB 0.314 32.026 31.700 0.020 0.000 0.795 14 L N 7.273 128.480 121.223 -0.027 0.000 2.562 14 L HA 0.168 4.507 4.340 -0.001 0.000 0.271 14 L C -2.042 174.706 176.870 -0.203 0.000 1.167 14 L CA -1.296 53.456 54.840 -0.147 0.000 0.917 14 L CB -0.869 41.093 42.059 -0.161 0.000 1.187 14 L HN 0.289 nan 8.230 nan 0.000 0.482 15 P HA 0.150 nan 4.420 nan 0.000 0.268 15 P C -2.107 175.095 177.300 -0.162 0.000 1.205 15 P CA -0.934 62.051 63.100 -0.192 0.000 0.771 15 P CB 0.266 31.846 31.700 -0.201 0.000 0.858 16 P HA -0.229 nan 4.420 nan 0.000 0.217 16 P C 1.125 178.441 177.300 0.026 0.000 1.148 16 P CA 1.480 64.581 63.100 0.001 0.000 0.834 16 P CB -0.371 31.346 31.700 0.029 0.000 0.783 17 H N -2.153 116.855 119.070 -0.104 0.000 2.551 17 H HA 0.114 4.669 4.556 -0.001 0.000 0.266 17 H C -0.010 175.288 175.328 -0.051 0.000 0.977 17 H CA 0.303 56.322 56.048 -0.048 0.000 1.163 17 H CB -0.805 28.956 29.762 -0.001 0.000 1.381 17 H HN -0.054 nan 8.280 nan 0.000 0.581 18 V N 5.647 125.216 119.914 -0.576 0.000 2.333 18 V HA 0.229 4.348 4.120 -0.001 0.000 0.274 18 V C -1.971 173.943 176.094 -0.299 0.000 1.028 18 V CA -1.663 60.291 62.300 -0.576 0.000 0.851 18 V CB 1.615 32.725 31.823 -1.188 0.000 1.000 18 V HN 0.237 nan 8.190 nan 0.000 0.456 19 P HA 0.085 nan 4.420 nan 0.000 0.271 19 P C 0.778 178.029 177.300 -0.082 0.000 1.218 19 P CA -0.044 63.028 63.100 -0.046 0.000 0.780 19 P CB 1.327 33.063 31.700 0.059 0.000 0.901 20 E N 3.197 123.413 120.200 0.027 0.000 2.049 20 E HA -0.278 4.071 4.350 -0.001 0.000 0.198 20 E C 1.495 178.129 176.600 0.057 0.000 1.007 20 E CA 1.613 58.035 56.400 0.035 0.000 0.809 20 E CB -0.561 29.180 29.700 0.068 0.000 0.749 20 E HN 0.637 nan 8.360 nan 0.000 0.450 21 H N 0.159 119.250 119.070 0.035 0.000 2.557 21 H HA -0.066 4.489 4.556 -0.001 0.000 0.287 21 H C 1.759 177.145 175.328 0.096 0.000 1.043 21 H CA 0.819 56.901 56.048 0.058 0.000 1.226 21 H CB -0.390 29.399 29.762 0.045 0.000 1.361 21 H HN 0.281 nan 8.280 nan 0.000 0.592 22 L N 1.101 122.136 121.223 -0.313 0.000 2.640 22 L HA 0.189 4.529 4.340 -0.001 0.000 0.230 22 L C 0.174 177.092 176.870 0.081 0.000 1.123 22 L CA -0.243 54.525 54.840 -0.120 0.000 0.900 22 L CB 0.767 42.760 42.059 -0.111 0.000 1.146 22 L HN -0.019 nan 8.230 nan 0.000 0.484 23 V N 0.620 120.577 119.914 0.072 0.000 2.555 23 V HA 0.080 4.199 4.120 -0.001 0.000 0.286 23 V C -0.606 175.604 176.094 0.193 0.000 1.044 23 V CA 0.215 62.593 62.300 0.131 0.000 1.026 23 V CB 1.042 32.905 31.823 0.066 0.000 0.981 23 V HN 0.077 nan 8.190 nan 0.000 0.480 24 F N 3.199 123.152 119.950 0.005 0.000 3.034 24 F HA 0.380 4.906 4.527 -0.002 0.000 0.371 24 F C 0.105 175.883 175.800 -0.037 0.000 1.233 24 F CA -0.840 57.154 58.000 -0.010 0.000 1.134 24 F CB 1.248 40.241 39.000 -0.012 0.000 1.495 24 F HN 0.516 nan 8.300 nan 0.000 0.563 25 D N 5.431 125.756 120.400 -0.126 0.000 2.826 25 D HA -0.045 4.594 4.640 -0.001 0.000 0.229 25 D C -0.142 176.110 176.300 -0.080 0.000 1.091 25 D CA 0.484 54.416 54.000 -0.113 0.000 1.061 25 D CB -0.603 40.113 40.800 -0.139 0.000 1.155 25 D HN 0.217 nan 8.370 nan 0.000 0.450 26 F N 1.762 121.651 119.950 -0.102 0.000 2.467 26 F HA 0.116 4.642 4.527 -0.002 0.000 0.362 26 F C 0.458 176.143 175.800 -0.191 0.000 1.090 26 F CA -0.834 57.095 58.000 -0.118 0.000 1.202 26 F CB 0.719 39.679 39.000 -0.067 0.000 1.113 26 F HN -0.151 nan 8.300 nan 0.000 0.541 27 D N 7.465 127.358 120.400 -0.845 0.000 2.396 27 D HA 0.084 4.723 4.640 -0.001 0.000 0.225 27 D C 1.017 176.758 176.300 -0.932 0.000 1.121 27 D CA -0.438 53.200 54.000 -0.603 0.000 0.853 27 D CB 0.840 41.429 40.800 -0.351 0.000 1.043 27 D HN 0.753 nan 8.370 nan 0.000 0.500 28 M N 2.145 121.348 119.600 -0.661 0.000 2.446 28 M HA -0.101 4.378 4.480 -0.001 0.000 0.263 28 M C 0.191 176.257 176.300 -0.391 0.000 1.066 28 M CA 1.238 56.193 55.300 -0.575 0.000 1.087 28 M CB -0.196 32.253 32.600 -0.252 0.000 1.406 28 M HN 0.228 nan 8.290 nan 0.000 0.459 29 Y N 0.030 120.250 120.300 -0.132 0.000 2.457 29 Y HA 0.283 4.832 4.550 -0.002 0.000 0.263 29 Y C 0.580 176.448 175.900 -0.054 0.000 1.164 29 Y CA -0.227 57.852 58.100 -0.035 0.000 1.274 29 Y CB 0.501 38.946 38.460 -0.024 0.000 1.097 29 Y HN 0.409 nan 8.280 nan 0.000 0.523 30 N N 0.252 118.923 118.700 -0.047 0.000 2.820 30 N HA 0.086 4.825 4.740 -0.001 0.000 0.209 30 N C -3.325 172.065 175.510 -0.200 0.000 1.406 30 N CA -1.227 51.787 53.050 -0.061 0.000 0.916 30 N CB 0.654 39.128 38.487 -0.021 0.000 1.532 30 N HN -0.149 nan 8.380 nan 0.000 0.559 31 P HA 0.112 nan 4.420 nan 0.000 0.269 31 P C 0.862 178.072 177.300 -0.149 0.000 1.209 31 P CA -0.005 62.841 63.100 -0.423 0.000 0.776 31 P CB 1.168 32.611 31.700 -0.428 0.000 0.876 32 S N 2.079 117.710 115.700 -0.115 0.000 2.369 32 S HA -0.215 4.254 4.470 -0.001 0.000 0.225 32 S C 1.456 176.061 174.600 0.009 0.000 1.043 32 S CA 1.954 60.131 58.200 -0.038 0.000 1.074 32 S CB -0.861 62.328 63.200 -0.018 0.000 0.962 32 S HN 0.613 nan 8.310 nan 0.000 0.433 33 N N 1.169 119.900 118.700 0.051 0.000 2.413 33 N HA 0.163 4.902 4.740 -0.001 0.000 0.207 33 N C 0.960 176.515 175.510 0.075 0.000 1.206 33 N CA -0.128 52.960 53.050 0.062 0.000 0.832 33 N CB -0.223 38.313 38.487 0.082 0.000 1.037 33 N HN 0.173 nan 8.380 nan 0.000 0.467 34 L N -0.243 121.023 121.223 0.071 0.000 2.051 34 L HA -0.205 4.134 4.340 -0.001 0.000 0.214 34 L C 1.953 178.859 176.870 0.060 0.000 1.076 34 L CA 1.677 56.576 54.840 0.098 0.000 0.758 34 L CB -0.860 41.251 42.059 0.087 0.000 0.890 34 L HN 0.130 nan 8.230 nan 0.000 0.433 35 S N -0.624 115.094 115.700 0.029 0.000 2.402 35 S HA -0.168 4.302 4.470 -0.001 0.000 0.233 35 S C 1.855 176.441 174.600 -0.024 0.000 1.030 35 S CA 1.108 59.307 58.200 -0.001 0.000 1.003 35 S CB -0.512 62.689 63.200 0.003 0.000 0.813 35 S HN 0.680 nan 8.310 nan 0.000 0.477 36 A N 0.372 123.195 122.820 0.005 0.000 2.235 36 A HA 0.504 4.823 4.320 -0.001 0.000 0.208 36 A C 0.974 178.561 177.584 0.006 0.000 1.172 36 A CA 0.628 52.668 52.037 0.006 0.000 0.786 36 A CB -0.635 18.382 19.000 0.029 0.000 0.804 36 A HN 0.845 nan 8.150 nan 0.000 0.479 37 G N -2.114 106.676 108.800 -0.016 0.000 3.055 37 G HA2 0.076 4.035 3.960 -0.001 0.000 0.685 37 G HA3 0.076 4.035 3.960 -0.001 0.000 0.685 37 G C 0.395 175.450 174.900 0.259 0.000 1.212 37 G CA -0.150 44.971 45.100 0.035 0.000 0.822 37 G HN 0.904 nan 8.290 nan 0.000 0.610 38 V N 2.026 122.253 119.914 0.521 0.000 2.324 38 V HA -0.245 3.874 4.120 -0.001 0.000 0.250 38 V C 2.683 178.965 176.094 0.313 0.000 1.060 38 V CA 3.435 65.985 62.300 0.417 0.000 1.042 38 V CB -0.295 31.762 31.823 0.392 0.000 0.650 38 V HN 0.837 nan 8.190 nan 0.000 0.450 39 Q N -0.270 119.600 119.800 0.117 0.000 2.119 39 Q HA -0.196 4.144 4.340 -0.001 0.000 0.201 39 Q C 2.103 178.163 176.000 0.101 0.000 0.972 39 Q CA 2.092 57.899 55.803 0.006 0.000 0.847 39 Q CB -0.266 28.383 28.738 -0.150 0.000 0.903 39 Q HN 0.712 nan 8.270 nan 0.000 0.433 40 E N 0.172 120.440 120.200 0.113 0.000 2.077 40 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 40 E C 1.836 178.523 176.600 0.146 0.000 0.989 40 E CA 1.219 57.676 56.400 0.095 0.000 0.800 40 E CB -0.380 29.366 29.700 0.077 0.000 0.746 40 E HN 0.401 nan 8.360 nan 0.000 0.452 41 A N -0.061 122.890 122.820 0.218 0.000 1.940 41 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 41 A C 1.740 179.491 177.584 0.279 0.000 1.176 41 A CA 1.414 53.597 52.037 0.245 0.000 0.631 41 A CB -0.944 18.218 19.000 0.271 0.000 0.814 41 A HN 0.372 nan 8.150 nan 0.000 0.446 42 W N -0.551 120.812 121.300 0.105 0.000 2.518 42 W HA 0.209 4.869 4.660 -0.001 0.000 0.273 42 W C 2.569 178.981 176.519 -0.179 0.000 1.247 42 W CA 0.771 58.079 57.345 -0.061 0.000 1.288 42 W CB -0.276 29.143 29.460 -0.068 0.000 1.107 42 W HN 0.351 nan 8.180 nan 0.000 0.586 43 A N 0.456 123.344 122.820 0.113 0.000 2.178 43 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 43 A C 1.991 179.557 177.584 -0.030 0.000 1.157 43 A CA 1.726 53.769 52.037 0.011 0.000 0.689 43 A CB -1.154 17.853 19.000 0.011 0.000 0.787 43 A HN 0.252 nan 8.150 nan 0.000 0.465 44 V N -2.366 117.543 119.914 -0.008 0.000 2.626 44 V HA -0.128 3.991 4.120 -0.001 0.000 0.252 44 V C 1.942 177.974 176.094 -0.103 0.000 1.067 44 V CA 1.733 64.042 62.300 0.015 0.000 1.081 44 V CB -0.863 31.038 31.823 0.130 0.000 0.686 44 V HN 0.459 nan 8.190 nan 0.000 0.468 45 L N -0.326 120.739 121.223 -0.263 0.000 2.456 45 L HA -0.022 4.317 4.340 -0.001 0.000 0.224 45 L C 2.490 179.150 176.870 -0.350 0.000 1.148 45 L CA 1.251 55.796 54.840 -0.492 0.000 0.825 45 L CB -0.403 41.318 42.059 -0.564 0.000 0.937 45 L HN 0.432 nan 8.230 nan 0.000 0.450 46 Q N -0.654 119.023 119.800 -0.205 0.000 2.219 46 Q HA 0.092 4.431 4.340 -0.001 0.000 0.209 46 Q C -0.051 175.886 176.000 -0.106 0.000 0.854 46 Q CA -0.198 55.516 55.803 -0.148 0.000 0.960 46 Q CB 0.660 29.334 28.738 -0.106 0.000 1.116 46 Q HN 0.371 nan 8.270 nan 0.000 0.500 47 E N 0.378 120.521 120.200 -0.095 0.000 2.398 47 E HA -0.039 4.310 4.350 -0.001 0.000 0.263 47 E C 0.924 177.493 176.600 -0.052 0.000 1.046 47 E CA 0.159 56.531 56.400 -0.046 0.000 0.908 47 E CB 0.824 30.522 29.700 -0.003 0.000 0.963 47 E HN 0.202 nan 8.360 nan 0.000 0.431 48 S N 2.333 118.014 115.700 -0.032 0.000 2.423 48 S HA -0.319 4.151 4.470 -0.001 0.000 0.238 48 S C 1.126 175.714 174.600 -0.019 0.000 1.028 48 S CA 1.848 60.031 58.200 -0.029 0.000 1.000 48 S CB -0.656 62.534 63.200 -0.017 0.000 0.797 48 S HN 0.691 nan 8.310 nan 0.000 0.487 49 N N 0.518 119.217 118.700 -0.001 0.000 2.461 49 N HA 0.174 4.913 4.740 -0.001 0.000 0.188 49 N C -0.339 175.185 175.510 0.024 0.000 1.134 49 N CA 0.077 53.143 53.050 0.027 0.000 0.878 49 N CB 0.080 38.604 38.487 0.060 0.000 0.972 49 N HN 0.303 nan 8.380 nan 0.000 0.456 50 V N 0.881 120.764 119.914 -0.053 0.000 2.513 50 V HA 0.422 4.541 4.120 -0.001 0.000 0.299 50 V C -2.076 173.944 176.094 -0.123 0.000 1.035 50 V CA -1.962 60.251 62.300 -0.145 0.000 0.889 50 V CB 1.573 33.163 31.823 -0.388 0.000 0.988 50 V HN 0.022 nan 8.190 nan 0.000 0.440 51 P HA 0.234 nan 4.420 nan 0.000 0.272 51 P C 0.042 177.282 177.300 -0.099 0.000 1.240 51 P CA -0.330 62.736 63.100 -0.058 0.000 0.791 51 P CB 0.642 32.342 31.700 0.000 0.000 0.978 52 D N -0.464 119.879 120.400 -0.095 0.000 2.310 52 D HA 0.005 4.644 4.640 -0.001 0.000 0.212 52 D C 0.228 176.480 176.300 -0.081 0.000 0.965 52 D CA 1.268 55.194 54.000 -0.123 0.000 0.879 52 D CB -0.141 40.547 40.800 -0.185 0.000 0.921 52 D HN 0.041 nan 8.370 nan 0.000 0.510 53 L N 0.423 121.630 121.223 -0.026 0.000 2.470 53 L HA 0.405 4.745 4.340 -0.001 0.000 0.268 53 L C -0.988 175.977 176.870 0.158 0.000 0.964 53 L CA -1.094 53.786 54.840 0.067 0.000 0.839 53 L CB 1.990 44.083 42.059 0.055 0.000 1.276 53 L HN -0.136 nan 8.230 nan 0.000 0.403 54 V N 1.396 121.450 119.914 0.233 0.000 3.130 54 V HA 0.697 4.816 4.120 -0.001 0.000 0.310 54 V C -1.645 174.665 176.094 0.361 0.000 1.158 54 V CA -0.751 61.709 62.300 0.267 0.000 1.029 54 V CB 2.168 34.040 31.823 0.082 0.000 1.057 54 V HN 0.947 nan 8.190 nan 0.000 0.436 55 W N 2.223 123.517 121.300 -0.010 0.000 2.532 55 W HA 0.693 5.353 4.660 -0.001 0.000 0.321 55 W C -0.921 175.445 176.519 -0.257 0.000 1.037 55 W CA -0.207 56.934 57.345 -0.340 0.000 1.220 55 W CB 1.869 30.838 29.460 -0.818 0.000 1.361 55 W HN 0.899 nan 8.180 nan 0.000 0.468 56 T N 5.289 119.316 114.554 -0.879 0.000 2.859 56 T HA 0.397 4.746 4.350 -0.001 0.000 0.281 56 T C 0.928 175.153 174.700 -0.792 0.000 1.005 56 T CA -0.406 61.328 62.100 -0.611 0.000 1.025 56 T CB 1.104 69.650 68.868 -0.537 0.000 0.977 56 T HN 0.621 nan 8.240 nan 0.000 0.458 57 R N 1.834 122.173 120.500 -0.268 0.000 2.317 57 R HA 0.233 4.572 4.340 -0.001 0.000 0.208 57 R C 0.464 176.696 176.300 -0.114 0.000 0.914 57 R CA -0.253 55.803 56.100 -0.073 0.000 1.060 57 R CB -0.159 30.182 30.300 0.068 0.000 1.015 57 R HN 0.520 nan 8.270 nan 0.000 0.498 58 C N 1.439 120.630 119.300 -0.182 0.000 2.595 58 C HA 0.115 4.574 4.460 -0.001 0.000 0.384 58 C C 0.775 175.737 174.990 -0.047 0.000 1.289 58 C CA -0.453 58.502 59.018 -0.106 0.000 2.372 58 C CB 0.048 27.713 27.740 -0.124 0.000 2.593 58 C HN 0.672 nan 8.230 nan 0.000 0.639 59 N N 0.724 119.435 118.700 0.020 0.000 2.714 59 N HA -0.133 4.606 4.740 -0.001 0.000 0.252 59 N C 0.746 176.300 175.510 0.074 0.000 1.014 59 N CA 0.995 54.090 53.050 0.076 0.000 0.735 59 N CB -1.197 37.393 38.487 0.172 0.000 0.924 59 N HN 1.375 nan 8.380 nan 0.000 0.540 60 G N -1.843 106.983 108.800 0.043 0.000 2.253 60 G HA2 0.064 4.023 3.960 -0.001 0.000 0.251 60 G HA3 0.064 4.023 3.960 -0.001 0.000 0.251 60 G C 0.623 175.561 174.900 0.063 0.000 0.998 60 G CA 0.466 45.603 45.100 0.060 0.000 0.621 60 G HN 1.723 nan 8.290 nan 0.000 0.524 61 G N -0.863 107.904 108.800 -0.055 0.000 3.055 61 G HA2 0.576 4.535 3.960 -0.001 0.000 0.686 61 G HA3 0.576 4.535 3.960 -0.001 0.000 0.686 61 G C -0.537 173.914 174.900 -0.748 0.000 1.087 61 G CA 0.664 45.563 45.100 -0.336 0.000 0.779 61 G HN 2.957 nan 8.290 nan 0.000 0.599 62 H N -1.742 116.269 119.070 -1.765 0.000 2.984 62 H HA 0.595 5.150 4.556 -0.001 0.000 0.298 62 H C -0.646 173.983 175.328 -1.164 0.000 1.378 62 H CA -1.528 53.727 56.048 -1.322 0.000 1.241 62 H CB -0.084 29.398 29.762 -0.466 0.000 1.894 62 H HN 0.718 nan 8.280 nan 0.000 0.511 63 W N 1.030 122.207 121.300 -0.205 0.000 2.183 63 W HA 0.637 5.296 4.660 -0.002 0.000 0.348 63 W C -0.179 176.384 176.519 0.073 0.000 1.257 63 W CA -0.568 56.789 57.345 0.020 0.000 1.324 63 W CB 0.757 30.342 29.460 0.208 0.000 1.144 63 W HN 0.488 nan 8.180 nan 0.000 0.622 64 I N 2.217 122.973 120.570 0.309 0.000 2.563 64 I HA 0.288 4.457 4.170 -0.001 0.000 0.285 64 I C -0.436 175.737 176.117 0.093 0.000 1.123 64 I CA -1.082 60.315 61.300 0.161 0.000 1.059 64 I CB 1.200 39.232 38.000 0.053 0.000 1.229 64 I HN 0.452 nan 8.210 nan 0.000 0.442 65 A N 3.377 126.225 122.820 0.047 0.000 2.409 65 A HA 0.469 4.788 4.320 -0.001 0.000 0.267 65 A C 1.090 178.649 177.584 -0.040 0.000 1.127 65 A CA 0.042 52.080 52.037 0.001 0.000 0.795 65 A CB 0.151 19.130 19.000 -0.034 0.000 1.061 65 A HN 0.850 nan 8.150 nan 0.000 0.502 66 T N -0.036 114.470 114.554 -0.080 0.000 3.060 66 T HA 0.214 4.563 4.350 -0.001 0.000 0.249 66 T C 0.625 175.259 174.700 -0.109 0.000 1.079 66 T CA 0.004 62.030 62.100 -0.123 0.000 1.013 66 T CB 0.064 68.816 68.868 -0.194 0.000 0.975 66 T HN 0.522 nan 8.240 nan 0.000 0.518 67 R N 0.361 120.801 120.500 -0.101 0.000 2.670 67 R HA 0.576 4.915 4.340 -0.001 0.000 0.289 67 R C 1.513 177.762 176.300 -0.086 0.000 0.965 67 R CA -0.347 55.691 56.100 -0.102 0.000 0.899 67 R CB 1.164 31.387 30.300 -0.129 0.000 1.173 67 R HN 0.216 nan 8.270 nan 0.000 0.456 68 G N 1.267 110.020 108.800 -0.079 0.000 2.503 68 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.221 68 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.221 68 G C 1.035 175.892 174.900 -0.073 0.000 1.131 68 G CA 0.834 45.891 45.100 -0.071 0.000 0.756 68 G HN 0.630 nan 8.290 nan 0.000 0.572 69 Q N -0.502 119.249 119.800 -0.082 0.000 2.050 69 Q HA -0.068 4.271 4.340 -0.001 0.000 0.202 69 Q C 2.561 178.545 176.000 -0.026 0.000 0.980 69 Q CA 1.107 56.870 55.803 -0.066 0.000 0.840 69 Q CB -0.169 28.511 28.738 -0.098 0.000 0.898 69 Q HN 0.416 nan 8.270 nan 0.000 0.424 70 L N 0.625 121.807 121.223 -0.069 0.000 2.093 70 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 70 L C 2.291 179.215 176.870 0.090 0.000 1.085 70 L CA 1.214 56.090 54.840 0.060 0.000 0.755 70 L CB -0.439 41.620 42.059 0.000 0.000 0.904 70 L HN 0.271 nan 8.230 nan 0.000 0.435 71 I N -0.965 119.602 120.570 -0.005 0.000 2.163 71 I HA -0.329 3.840 4.170 -0.001 0.000 0.243 71 I C 2.685 178.837 176.117 0.059 0.000 1.085 71 I CA 1.290 62.572 61.300 -0.030 0.000 1.347 71 I CB -0.366 37.649 38.000 0.025 0.000 1.044 71 I HN 0.231 nan 8.210 nan 0.000 0.408 72 R N 0.429 120.954 120.500 0.042 0.000 2.081 72 R HA -0.209 4.131 4.340 -0.001 0.000 0.235 72 R C 2.261 178.705 176.300 0.241 0.000 1.131 72 R CA 1.598 57.710 56.100 0.020 0.000 0.960 72 R CB -0.382 29.756 30.300 -0.271 0.000 0.856 72 R HN 0.438 nan 8.270 nan 0.000 0.436 73 E N 0.513 120.832 120.200 0.198 0.000 2.085 73 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 73 E C 1.869 178.609 176.600 0.233 0.000 0.994 73 E CA 1.271 57.841 56.400 0.284 0.000 0.801 73 E CB -0.005 29.934 29.700 0.399 0.000 0.743 73 E HN 0.363 nan 8.360 nan 0.000 0.453 74 A N -0.167 122.639 122.820 -0.023 0.000 1.929 74 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 74 A C 1.777 179.249 177.584 -0.186 0.000 1.176 74 A CA 1.010 52.729 52.037 -0.530 0.000 0.628 74 A CB -0.672 17.506 19.000 -1.370 0.000 0.816 74 A HN 0.380 nan 8.150 nan 0.000 0.444 75 Y N 0.574 120.912 120.300 0.063 0.000 2.352 75 Y HA -0.089 4.460 4.550 -0.001 0.000 0.292 75 Y C 2.327 178.373 175.900 0.245 0.000 1.136 75 Y CA 1.389 59.596 58.100 0.179 0.000 1.227 75 Y CB -0.153 38.455 38.460 0.247 0.000 0.991 75 Y HN 0.494 nan 8.280 nan 0.000 0.545 76 E N -0.947 119.483 120.200 0.382 0.000 2.122 76 E HA -0.108 4.241 4.350 -0.001 0.000 0.190 76 E C 0.386 177.117 176.600 0.217 0.000 0.977 76 E CA 0.667 57.239 56.400 0.287 0.000 0.820 76 E CB 0.053 29.904 29.700 0.251 0.000 0.770 76 E HN 0.119 nan 8.360 nan 0.000 0.462 77 D N 0.543 121.074 120.400 0.218 0.000 2.517 77 D HA -0.030 4.610 4.640 -0.001 0.000 0.220 77 D C 0.286 176.680 176.300 0.157 0.000 1.158 77 D CA -0.303 53.770 54.000 0.122 0.000 0.992 77 D CB -0.099 40.870 40.800 0.282 0.000 1.058 77 D HN 0.185 nan 8.370 nan 0.000 0.516 78 Y N 1.431 121.833 120.300 0.169 0.000 2.561 78 Y HA 0.116 4.665 4.550 -0.001 0.000 0.291 78 Y C 1.717 177.635 175.900 0.030 0.000 1.141 78 Y CA 0.066 58.251 58.100 0.142 0.000 1.303 78 Y CB -0.287 38.265 38.460 0.153 0.000 1.015 78 Y HN 0.065 nan 8.280 nan 0.000 0.547 79 R N 0.113 120.489 120.500 -0.207 0.000 2.115 79 R HA -0.068 4.271 4.340 -0.001 0.000 0.226 79 R C 1.048 177.120 176.300 -0.379 0.000 1.100 79 R CA 1.697 57.647 56.100 -0.251 0.000 0.980 79 R CB -0.929 29.108 30.300 -0.439 0.000 0.875 79 R HN 0.559 nan 8.270 nan 0.000 0.445 80 H N -1.201 117.665 119.070 -0.339 0.000 2.476 80 H HA 0.195 4.751 4.556 -0.001 0.000 0.292 80 H C -0.205 174.686 175.328 -0.727 0.000 1.019 80 H CA 0.258 55.911 56.048 -0.658 0.000 1.330 80 H CB 0.365 29.461 29.762 -1.111 0.000 1.451 80 H HN -0.039 nan 8.280 nan 0.000 0.535 81 F N 0.933 120.896 119.950 0.022 0.000 2.359 81 F HA 0.298 4.824 4.527 -0.002 0.000 0.369 81 F C 0.116 175.954 175.800 0.063 0.000 1.084 81 F CA -0.740 57.261 58.000 0.002 0.000 1.096 81 F CB 1.368 40.319 39.000 -0.083 0.000 1.335 81 F HN -0.117 nan 8.300 nan 0.000 0.457 82 S N 1.040 116.840 115.700 0.167 0.000 2.562 82 S HA 0.246 4.716 4.470 -0.001 0.000 0.275 82 S C 1.099 175.773 174.600 0.123 0.000 1.281 82 S CA -0.464 57.827 58.200 0.152 0.000 1.045 82 S CB 1.153 64.412 63.200 0.097 0.000 0.962 82 S HN 0.537 nan 8.310 nan 0.000 0.503 83 S N 3.213 118.978 115.700 0.108 0.000 2.603 83 S HA 0.026 4.495 4.470 -0.001 0.000 0.220 83 S C 1.542 176.159 174.600 0.029 0.000 0.967 83 S CA 0.081 58.293 58.200 0.020 0.000 0.920 83 S CB -0.202 62.936 63.200 -0.102 0.000 0.773 83 S HN 0.789 nan 8.310 nan 0.000 0.529 84 E N 0.262 120.500 120.200 0.065 0.000 2.086 84 E HA -0.198 4.151 4.350 -0.001 0.000 0.200 84 E C 0.706 177.338 176.600 0.053 0.000 1.012 84 E CA 0.904 57.345 56.400 0.069 0.000 0.812 84 E CB 0.001 29.740 29.700 0.064 0.000 0.743 84 E HN 0.347 nan 8.360 nan 0.000 0.453 85 C N 1.901 121.219 119.300 0.030 0.000 2.439 85 C HA 0.290 4.749 4.460 -0.001 0.000 0.298 85 C C -1.682 173.283 174.990 -0.041 0.000 1.094 85 C CA -1.668 57.352 59.018 0.004 0.000 1.609 85 C CB 0.237 27.998 27.740 0.034 0.000 1.723 85 C HN 0.241 nan 8.230 nan 0.000 0.423 86 P HA 0.045 nan 4.420 nan 0.000 0.245 86 P C 0.505 177.774 177.300 -0.052 0.000 1.203 86 P CA 0.469 63.480 63.100 -0.148 0.000 0.792 86 P CB 0.298 31.824 31.700 -0.290 0.000 0.997 87 W N 0.462 121.454 121.300 -0.514 0.000 2.509 87 W HA 0.534 5.193 4.660 -0.001 0.000 0.351 87 W C -0.242 176.121 176.519 -0.260 0.000 1.107 87 W CA -0.659 56.431 57.345 -0.426 0.000 1.264 87 W CB 1.597 30.700 29.460 -0.594 0.000 1.312 87 W HN -0.346 nan 8.180 nan 0.000 0.608 88 I N 4.074 124.584 120.570 -0.100 0.000 2.545 88 I HA 0.218 4.387 4.170 -0.001 0.000 0.292 88 I C -1.767 174.397 176.117 0.079 0.000 1.040 88 I CA -2.202 59.049 61.300 -0.081 0.000 1.068 88 I CB 2.588 40.422 38.000 -0.277 0.000 1.251 88 I HN 0.015 nan 8.210 nan 0.000 0.424 89 P HA 0.117 nan 4.420 nan 0.000 0.274 89 P C 0.367 177.692 177.300 0.042 0.000 1.260 89 P CA -0.329 62.801 63.100 0.050 0.000 0.793 89 P CB 0.997 32.727 31.700 0.050 0.000 1.048 90 R N 0.306 120.832 120.500 0.043 0.000 2.103 90 R HA -0.219 4.120 4.340 -0.001 0.000 0.242 90 R C 1.937 178.267 176.300 0.051 0.000 1.142 90 R CA 2.107 58.236 56.100 0.048 0.000 0.960 90 R CB -0.336 30.003 30.300 0.064 0.000 0.858 90 R HN 0.434 nan 8.270 nan 0.000 0.439 91 E N 0.241 120.477 120.200 0.060 0.000 2.058 91 E HA -0.193 4.156 4.350 -0.001 0.000 0.194 91 E C 1.878 178.530 176.600 0.086 0.000 0.997 91 E CA 1.627 58.070 56.400 0.072 0.000 0.801 91 E CB -0.354 29.392 29.700 0.077 0.000 0.746 91 E HN 0.476 nan 8.360 nan 0.000 0.450 92 A N 0.905 123.771 122.820 0.077 0.000 1.858 92 A HA -0.078 4.241 4.320 -0.001 0.000 0.216 92 A C 2.536 180.003 177.584 -0.195 0.000 1.190 92 A CA 1.890 53.908 52.037 -0.031 0.000 0.617 92 A CB -1.464 17.540 19.000 0.005 0.000 0.827 92 A HN 0.353 nan 8.150 nan 0.000 0.443 93 G N -0.494 108.270 108.800 -0.059 0.000 2.469 93 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.219 93 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.219 93 G C 1.424 176.322 174.900 -0.003 0.000 1.150 93 G CA 1.120 46.193 45.100 -0.046 0.000 0.763 93 G HN 0.675 nan 8.290 nan 0.000 0.561 94 E N 0.282 120.499 120.200 0.028 0.000 2.208 94 E HA 0.073 4.422 4.350 -0.001 0.000 0.193 94 E C 2.796 179.433 176.600 0.063 0.000 0.988 94 E CA 0.582 57.011 56.400 0.049 0.000 0.828 94 E CB -0.064 29.668 29.700 0.053 0.000 0.763 94 E HN 0.455 nan 8.360 nan 0.000 0.478 95 A N 1.070 123.942 122.820 0.086 0.000 1.975 95 A HA -0.027 4.292 4.320 -0.001 0.000 0.215 95 A C 0.849 178.496 177.584 0.105 0.000 1.170 95 A CA -0.222 51.889 52.037 0.124 0.000 0.656 95 A CB -0.370 18.769 19.000 0.232 0.000 0.821 95 A HN 0.268 nan 8.150 nan 0.000 0.449 96 F N 2.700 122.564 119.950 -0.142 0.000 2.506 96 F HA 0.052 4.578 4.527 -0.001 0.000 0.387 96 F C 0.404 176.034 175.800 -0.283 0.000 1.053 96 F CA 0.486 58.257 58.000 -0.381 0.000 1.083 96 F CB 0.559 39.138 39.000 -0.702 0.000 1.010 96 F HN 0.381 nan 8.300 nan 0.000 0.551 97 D N 4.829 124.890 120.400 -0.565 0.000 2.673 97 D HA 0.043 4.682 4.640 -0.001 0.000 0.278 97 D C -0.253 175.911 176.300 -0.226 0.000 1.393 97 D CA -0.354 53.504 54.000 -0.236 0.000 0.805 97 D CB -0.787 39.972 40.800 -0.069 0.000 1.110 97 D HN 0.089 nan 8.370 nan 0.000 0.476 98 F N 1.224 120.831 119.950 -0.573 0.000 2.553 98 F HA 0.296 4.822 4.527 -0.001 0.000 0.356 98 F C 1.235 176.940 175.800 -0.159 0.000 1.142 98 F CA -0.766 57.011 58.000 -0.371 0.000 1.322 98 F CB 0.403 39.069 39.000 -0.556 0.000 1.126 98 F HN -0.104 nan 8.300 nan 0.000 0.599 99 I N 4.776 125.398 120.570 0.086 0.000 2.441 99 I HA 0.239 4.408 4.170 -0.001 0.000 0.295 99 I C -1.689 174.461 176.117 0.054 0.000 0.994 99 I CA -1.752 59.531 61.300 -0.028 0.000 1.144 99 I CB 2.467 40.304 38.000 -0.271 0.000 1.314 99 I HN 0.364 nan 8.210 nan 0.000 0.445 100 P HA 0.094 nan 4.420 nan 0.000 0.261 100 P C 0.836 178.312 177.300 0.294 0.000 1.352 100 P CA 0.136 63.317 63.100 0.136 0.000 0.891 100 P CB 0.155 31.958 31.700 0.171 0.000 1.383 101 T N -0.050 114.694 114.554 0.317 0.000 2.833 101 T HA -0.108 4.241 4.350 -0.001 0.000 0.269 101 T C 1.729 176.585 174.700 0.261 0.000 1.054 101 T CA 1.990 64.293 62.100 0.337 0.000 1.135 101 T CB -0.605 68.554 68.868 0.485 0.000 0.869 101 T HN 0.317 nan 8.240 nan 0.000 0.466 102 S N 0.263 116.159 115.700 0.326 0.000 2.660 102 S HA 0.377 4.846 4.470 -0.001 0.000 0.227 102 S C 0.330 175.020 174.600 0.150 0.000 0.948 102 S CA -0.529 57.822 58.200 0.252 0.000 0.948 102 S CB -0.597 62.772 63.200 0.282 0.000 0.779 102 S HN 0.357 nan 8.310 nan 0.000 0.487 103 M N 1.650 121.361 119.600 0.186 0.000 2.535 103 M HA 0.530 5.009 4.480 -0.001 0.000 0.314 103 M C -1.151 175.286 176.300 0.228 0.000 1.153 103 M CA -0.671 54.725 55.300 0.159 0.000 0.924 103 M CB 1.706 34.373 32.600 0.111 0.000 1.710 103 M HN -0.005 nan 8.290 nan 0.000 0.451 104 D N 1.819 122.296 120.400 0.128 0.000 2.326 104 D HA 0.519 5.158 4.640 -0.001 0.000 0.251 104 D C -2.456 173.770 176.300 -0.123 0.000 1.023 104 D CA -1.234 52.796 54.000 0.050 0.000 0.966 104 D CB 1.276 42.113 40.800 0.062 0.000 1.156 104 D HN 0.170 nan 8.370 nan 0.000 0.494 105 P HA 0.131 nan 4.420 nan 0.000 0.272 105 P C -1.723 175.450 177.300 -0.211 0.000 1.230 105 P CA -0.795 62.072 63.100 -0.389 0.000 0.788 105 P CB 0.322 31.604 31.700 -0.696 0.000 0.949 106 P HA 0.032 nan 4.420 nan 0.000 0.245 106 P C 0.837 178.127 177.300 -0.018 0.000 1.203 106 P CA 0.900 63.969 63.100 -0.052 0.000 0.792 106 P CB 0.372 32.069 31.700 -0.004 0.000 0.997 107 E N 0.072 120.286 120.200 0.022 0.000 2.489 107 E HA -0.073 4.276 4.350 -0.001 0.000 0.193 107 E C 2.064 178.767 176.600 0.172 0.000 1.057 107 E CA -0.062 56.388 56.400 0.084 0.000 0.866 107 E CB -0.031 29.742 29.700 0.122 0.000 0.916 107 E HN 0.140 nan 8.360 nan 0.000 0.500 108 Q N 0.896 120.754 119.800 0.097 0.000 2.049 108 Q HA -0.176 4.163 4.340 -0.001 0.000 0.198 108 Q C 1.822 177.895 176.000 0.122 0.000 0.971 108 Q CA 0.822 56.706 55.803 0.134 0.000 0.833 108 Q CB 0.051 28.786 28.738 -0.005 0.000 0.896 108 Q HN 0.231 nan 8.270 nan 0.000 0.434 109 R N 0.574 121.077 120.500 0.007 0.000 2.133 109 R HA -0.255 4.085 4.340 -0.001 0.000 0.245 109 R C 2.372 178.671 176.300 -0.002 0.000 1.137 109 R CA 2.112 58.201 56.100 -0.018 0.000 0.947 109 R CB -0.764 29.510 30.300 -0.044 0.000 0.865 109 R HN 0.503 nan 8.270 nan 0.000 0.437 110 Q N -0.266 119.516 119.800 -0.031 0.000 2.047 110 Q HA -0.226 4.114 4.340 -0.001 0.000 0.211 110 Q C 2.004 177.880 176.000 -0.205 0.000 1.005 110 Q CA 2.337 58.036 55.803 -0.174 0.000 0.866 110 Q CB -0.182 28.361 28.738 -0.325 0.000 0.938 110 Q HN 0.313 nan 8.270 nan 0.000 0.414 111 F N -0.578 119.369 119.950 -0.004 0.000 2.259 111 F HA -0.019 4.507 4.527 -0.001 0.000 0.298 111 F C 2.498 178.302 175.800 0.006 0.000 1.088 111 F CA 0.865 58.870 58.000 0.007 0.000 1.358 111 F CB -0.246 38.768 39.000 0.023 0.000 1.040 111 F HN 0.042 nan 8.300 nan 0.000 0.505 112 R N 0.759 121.367 120.500 0.181 0.000 2.105 112 R HA -0.199 4.140 4.340 -0.001 0.000 0.239 112 R C 2.316 178.650 176.300 0.056 0.000 1.135 112 R CA 1.325 57.482 56.100 0.095 0.000 0.967 112 R CB -0.447 29.872 30.300 0.032 0.000 0.861 112 R HN 0.292 nan 8.270 nan 0.000 0.442 113 A N 0.854 123.690 122.820 0.026 0.000 1.902 113 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 113 A C 1.996 179.588 177.584 0.013 0.000 1.181 113 A CA 1.211 53.251 52.037 0.005 0.000 0.623 113 A CB -0.527 18.460 19.000 -0.023 0.000 0.818 113 A HN 0.382 nan 8.150 nan 0.000 0.443 114 L N -0.284 120.951 121.223 0.020 0.000 2.056 114 L HA 0.017 4.357 4.340 -0.001 0.000 0.207 114 L C 2.569 179.467 176.870 0.046 0.000 1.078 114 L CA 2.191 57.047 54.840 0.026 0.000 0.749 114 L CB -0.838 41.242 42.059 0.034 0.000 0.901 114 L HN 0.309 nan 8.230 nan 0.000 0.433 115 A N -0.394 122.470 122.820 0.073 0.000 1.930 115 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 115 A C 2.172 179.788 177.584 0.054 0.000 1.175 115 A CA 1.681 53.761 52.037 0.071 0.000 0.627 115 A CB -0.965 18.089 19.000 0.090 0.000 0.815 115 A HN 0.592 nan 8.150 nan 0.000 0.443 116 N N -0.124 118.605 118.700 0.047 0.000 2.381 116 N HA -0.129 4.610 4.740 -0.001 0.000 0.182 116 N C 1.717 177.245 175.510 0.030 0.000 1.025 116 N CA 1.335 54.410 53.050 0.041 0.000 0.888 116 N CB -0.287 38.220 38.487 0.035 0.000 0.965 116 N HN 0.648 nan 8.380 nan 0.000 0.438 117 Q N -1.119 118.694 119.800 0.021 0.000 2.378 117 Q HA 0.047 4.386 4.340 -0.001 0.000 0.205 117 Q C 1.364 177.369 176.000 0.008 0.000 0.954 117 Q CA 0.527 56.335 55.803 0.009 0.000 0.901 117 Q CB 0.411 29.150 28.738 0.002 0.000 0.981 117 Q HN 0.192 nan 8.270 nan 0.000 0.483 118 V N 0.110 120.034 119.914 0.017 0.000 3.644 118 V HA 0.005 4.125 4.120 -0.001 0.000 0.267 118 V C 1.072 177.176 176.094 0.017 0.000 1.277 118 V CA 0.622 62.927 62.300 0.008 0.000 1.096 118 V CB 1.238 33.065 31.823 0.006 0.000 0.828 118 V HN 0.301 nan 8.190 nan 0.000 0.446 119 V N -2.867 117.069 119.914 0.037 0.000 3.372 119 V HA 0.640 4.759 4.120 -0.001 0.000 0.304 119 V C 0.856 176.988 176.094 0.064 0.000 1.530 119 V CA 0.308 62.640 62.300 0.053 0.000 1.080 119 V CB -0.329 31.541 31.823 0.079 0.000 0.929 119 V HN 0.249 nan 8.190 nan 0.000 0.455 120 G N -0.270 108.564 108.800 0.057 0.000 2.621 120 G HA2 0.368 4.327 3.960 -0.001 0.000 0.271 120 G HA3 0.368 4.327 3.960 -0.001 0.000 0.271 120 G C 0.530 175.446 174.900 0.027 0.000 1.236 120 G CA 0.101 45.248 45.100 0.079 0.000 0.958 120 G HN 0.151 nan 8.290 nan 0.000 0.512 121 M N 0.777 120.333 119.600 -0.073 0.000 2.108 121 M HA -0.072 4.407 4.480 -0.001 0.000 0.257 121 M C -0.242 176.010 176.300 -0.080 0.000 1.071 121 M CA 1.993 57.194 55.300 -0.165 0.000 1.093 121 M CB -1.067 31.312 32.600 -0.368 0.000 1.345 121 M HN 0.335 nan 8.290 nan 0.000 0.403 122 P HA -0.133 nan 4.420 nan 0.000 0.215 122 P C 1.748 179.033 177.300 -0.025 0.000 1.153 122 P CA 1.421 64.496 63.100 -0.041 0.000 0.853 122 P CB -0.135 31.544 31.700 -0.035 0.000 0.788 123 V N -0.670 119.234 119.914 -0.016 0.000 2.427 123 V HA -0.169 3.950 4.120 -0.001 0.000 0.248 123 V C 2.430 178.522 176.094 -0.004 0.000 1.051 123 V CA 1.546 63.840 62.300 -0.010 0.000 1.048 123 V CB -1.136 30.683 31.823 -0.005 0.000 0.666 123 V HN -0.035 nan 8.190 nan 0.000 0.456 124 V N 0.260 120.176 119.914 0.004 0.000 2.407 124 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 124 V C 2.269 178.369 176.094 0.010 0.000 1.055 124 V CA 2.088 64.397 62.300 0.015 0.000 1.049 124 V CB -0.685 31.158 31.823 0.034 0.000 0.662 124 V HN 0.551 nan 8.190 nan 0.000 0.455 125 D N 0.126 120.525 120.400 -0.003 0.000 2.097 125 D HA -0.139 4.500 4.640 -0.001 0.000 0.195 125 D C 2.255 178.556 176.300 0.001 0.000 0.989 125 D CA 1.169 55.168 54.000 -0.002 0.000 0.827 125 D CB -0.242 40.550 40.800 -0.014 0.000 0.966 125 D HN 0.399 nan 8.370 nan 0.000 0.456 126 K N 0.210 120.607 120.400 -0.005 0.000 2.063 126 K HA -0.079 4.240 4.320 -0.001 0.000 0.208 126 K C 2.111 178.710 176.600 -0.001 0.000 1.048 126 K CA 0.702 56.986 56.287 -0.005 0.000 0.928 126 K CB -0.184 32.309 32.500 -0.012 0.000 0.713 126 K HN 0.184 nan 8.250 nan 0.000 0.442 127 L N 0.838 122.061 121.223 -0.000 0.000 2.552 127 L HA -0.054 4.285 4.340 -0.001 0.000 0.227 127 L C 2.297 179.179 176.870 0.020 0.000 1.146 127 L CA 0.247 55.089 54.840 0.002 0.000 0.858 127 L CB -0.329 41.725 42.059 -0.008 0.000 0.969 127 L HN 0.277 nan 8.230 nan 0.000 0.451 128 E N 1.082 121.297 120.200 0.026 0.000 2.068 128 E HA -0.317 4.032 4.350 -0.001 0.000 0.207 128 E C 1.740 178.372 176.600 0.053 0.000 1.032 128 E CA 2.043 58.470 56.400 0.043 0.000 0.839 128 E CB 0.074 29.795 29.700 0.035 0.000 0.758 128 E HN 0.494 nan 8.360 nan 0.000 0.457 129 N N 0.205 118.929 118.700 0.040 0.000 2.069 129 N HA -0.165 4.574 4.740 -0.001 0.000 0.191 129 N C 1.847 177.390 175.510 0.054 0.000 1.031 129 N CA 1.168 54.244 53.050 0.043 0.000 0.852 129 N CB -0.387 38.117 38.487 0.029 0.000 1.018 129 N HN 0.179 nan 8.380 nan 0.000 0.423 130 R N 0.925 121.451 120.500 0.043 0.000 2.096 130 R HA 0.049 4.388 4.340 -0.001 0.000 0.235 130 R C 2.377 178.727 176.300 0.082 0.000 1.127 130 R CA 0.448 56.576 56.100 0.046 0.000 0.968 130 R CB -0.865 29.445 30.300 0.018 0.000 0.861 130 R HN 0.372 nan 8.270 nan 0.000 0.440 131 I N 1.001 121.623 120.570 0.088 0.000 2.179 131 I HA -0.340 3.829 4.170 -0.001 0.000 0.242 131 I C 2.831 179.134 176.117 0.310 0.000 1.088 131 I CA 1.597 62.994 61.300 0.161 0.000 1.357 131 I CB -0.390 37.687 38.000 0.128 0.000 1.051 131 I HN 0.213 nan 8.210 nan 0.000 0.409 132 Q N 1.350 121.271 119.800 0.203 0.000 2.046 132 Q HA -0.281 4.058 4.340 -0.001 0.000 0.200 132 Q C 2.139 178.225 176.000 0.145 0.000 0.975 132 Q CA 2.043 57.950 55.803 0.173 0.000 0.836 132 Q CB -0.224 28.581 28.738 0.111 0.000 0.896 132 Q HN 0.487 nan 8.270 nan 0.000 0.428 133 E N -0.165 120.105 120.200 0.117 0.000 2.058 133 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 133 E C 2.012 178.679 176.600 0.112 0.000 0.997 133 E CA 1.400 57.854 56.400 0.090 0.000 0.801 133 E CB -0.202 29.538 29.700 0.068 0.000 0.746 133 E HN 0.443 nan 8.360 nan 0.000 0.450 134 L N 0.901 122.220 121.223 0.160 0.000 2.046 134 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 134 L C 2.307 179.304 176.870 0.211 0.000 1.077 134 L CA 2.249 57.202 54.840 0.188 0.000 0.747 134 L CB -0.878 41.318 42.059 0.228 0.000 0.896 134 L HN 0.204 nan 8.230 nan 0.000 0.432 135 A N -0.807 122.160 122.820 0.246 0.000 1.865 135 A HA -0.315 4.004 4.320 -0.001 0.000 0.217 135 A C 2.624 180.261 177.584 0.089 0.000 1.191 135 A CA 1.985 54.047 52.037 0.040 0.000 0.623 135 A CB -1.730 17.204 19.000 -0.110 0.000 0.826 135 A HN 0.761 nan 8.150 nan 0.000 0.444 136 C N -0.544 118.796 119.300 0.067 0.000 2.413 136 C HA -0.089 4.370 4.460 -0.001 0.000 0.276 136 C C 2.887 177.892 174.990 0.025 0.000 1.236 136 C CA 1.808 60.841 59.018 0.024 0.000 1.735 136 C CB -1.486 26.269 27.740 0.025 0.000 2.031 136 C HN 0.506 nan 8.230 nan 0.000 0.474 137 S N 0.910 116.642 115.700 0.052 0.000 2.348 137 S HA -0.101 4.368 4.470 -0.001 0.000 0.221 137 S C 1.687 176.321 174.600 0.057 0.000 1.033 137 S CA 1.700 59.928 58.200 0.047 0.000 1.010 137 S CB -0.506 62.728 63.200 0.056 0.000 0.891 137 S HN 0.557 nan 8.310 nan 0.000 0.442 138 L N 1.620 122.901 121.223 0.098 0.000 2.012 138 L HA -0.050 4.289 4.340 -0.001 0.000 0.210 138 L C 2.085 179.032 176.870 0.127 0.000 1.073 138 L CA 1.585 56.509 54.840 0.141 0.000 0.748 138 L CB -0.925 41.256 42.059 0.204 0.000 0.891 138 L HN 0.336 nan 8.230 nan 0.000 0.431 139 I N -1.174 119.440 120.570 0.073 0.000 2.202 139 I HA -0.239 3.931 4.170 -0.001 0.000 0.242 139 I C 2.424 178.428 176.117 -0.188 0.000 1.091 139 I CA 1.035 62.243 61.300 -0.153 0.000 1.368 139 I CB -0.296 37.516 38.000 -0.314 0.000 1.058 139 I HN 0.252 nan 8.210 nan 0.000 0.410 140 E N 1.004 121.138 120.200 -0.110 0.000 2.118 140 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 140 E C 2.195 178.773 176.600 -0.037 0.000 0.992 140 E CA 1.773 58.120 56.400 -0.088 0.000 0.804 140 E CB -0.229 29.441 29.700 -0.050 0.000 0.741 140 E HN 0.275 nan 8.360 nan 0.000 0.458 141 S N -0.968 114.731 115.700 -0.002 0.000 2.383 141 S HA -0.041 4.428 4.470 -0.001 0.000 0.227 141 S C 1.844 176.477 174.600 0.055 0.000 1.026 141 S CA 1.061 59.278 58.200 0.029 0.000 0.981 141 S CB -0.221 63.006 63.200 0.044 0.000 0.818 141 S HN 0.380 nan 8.310 nan 0.000 0.472 142 L N 0.805 122.069 121.223 0.068 0.000 2.131 142 L HA 0.056 4.396 4.340 -0.001 0.000 0.206 142 L C 2.756 179.790 176.870 0.273 0.000 1.087 142 L CA 0.968 55.911 54.840 0.171 0.000 0.767 142 L CB -0.587 41.604 42.059 0.220 0.000 0.917 142 L HN 0.324 nan 8.230 nan 0.000 0.441 143 R N 0.849 121.404 120.500 0.092 0.000 2.196 143 R HA -0.231 4.108 4.340 -0.001 0.000 0.244 143 R C -0.513 175.987 176.300 0.333 0.000 1.121 143 R CA 2.763 58.935 56.100 0.120 0.000 0.930 143 R CB -1.436 28.809 30.300 -0.091 0.000 0.890 143 R HN 0.248 nan 8.270 nan 0.000 0.435 144 P HA -0.133 nan 4.420 nan 0.000 0.222 144 P C 0.473 177.809 177.300 0.060 0.000 1.147 144 P CA 1.402 64.568 63.100 0.110 0.000 0.790 144 P CB -0.107 31.625 31.700 0.053 0.000 0.780 145 Q N -0.566 119.265 119.800 0.052 0.000 2.291 145 Q HA 0.016 4.355 4.340 -0.001 0.000 0.205 145 Q C 1.615 177.426 176.000 -0.314 0.000 0.970 145 Q CA 0.979 56.734 55.803 -0.080 0.000 0.876 145 Q CB -0.633 28.081 28.738 -0.040 0.000 0.935 145 Q HN 0.302 nan 8.270 nan 0.000 0.455 146 G N 1.525 109.972 108.800 -0.587 0.000 2.166 146 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.260 146 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.260 146 G C -0.056 173.901 174.900 -1.572 0.000 0.986 146 G CA 0.898 45.236 45.100 -1.270 0.000 0.683 146 G HN 0.487 nan 8.290 nan 0.000 0.527 147 Q N -2.056 116.837 119.800 -1.512 0.000 2.776 147 Q HA 0.589 4.928 4.340 -0.001 0.000 0.289 147 Q C -0.445 175.355 176.000 -0.332 0.000 0.912 147 Q CA -0.725 54.560 55.803 -0.863 0.000 0.789 147 Q CB 1.399 29.903 28.738 -0.389 0.000 1.498 147 Q HN 1.617 nan 8.270 nan 0.000 0.408 148 C N -0.895 118.419 119.300 0.022 0.000 3.197 148 C HA 0.588 5.047 4.460 -0.001 0.000 0.343 148 C C -1.728 173.394 174.990 0.220 0.000 1.291 148 C CA -0.791 58.353 59.018 0.209 0.000 1.191 148 C CB 0.725 28.741 27.740 0.459 0.000 1.444 148 C HN 1.037 nan 8.230 nan 0.000 0.468 149 N N 0.947 119.757 118.700 0.184 0.000 2.955 149 N HA 0.368 5.107 4.740 -0.001 0.000 0.242 149 N C 0.363 175.985 175.510 0.186 0.000 1.123 149 N CA -0.540 52.604 53.050 0.158 0.000 0.949 149 N CB 0.454 38.998 38.487 0.095 0.000 1.214 149 N HN 0.603 nan 8.380 nan 0.000 0.504 150 F N 1.940 121.951 119.950 0.101 0.000 2.106 150 F HA -0.364 4.162 4.527 -0.001 0.000 0.299 150 F C 2.601 178.442 175.800 0.067 0.000 1.082 150 F CA 2.126 60.168 58.000 0.071 0.000 1.244 150 F CB -0.375 38.596 39.000 -0.048 0.000 0.997 150 F HN 0.414 nan 8.300 nan 0.000 0.486 151 T N -2.088 112.487 114.554 0.036 0.000 2.746 151 T HA -0.220 4.129 4.350 -0.001 0.000 0.267 151 T C 1.528 176.177 174.700 -0.084 0.000 1.039 151 T CA 1.629 63.698 62.100 -0.051 0.000 1.142 151 T CB -0.651 68.221 68.868 0.007 0.000 0.866 151 T HN 0.606 nan 8.240 nan 0.000 0.444 152 E N 0.831 121.012 120.200 -0.032 0.000 2.340 152 E HA 0.057 4.406 4.350 -0.001 0.000 0.194 152 E C 1.283 177.872 176.600 -0.018 0.000 0.996 152 E CA 0.470 56.858 56.400 -0.020 0.000 0.869 152 E CB 0.079 29.786 29.700 0.012 0.000 0.835 152 E HN 0.442 nan 8.360 nan 0.000 0.493 153 D N -0.509 119.888 120.400 -0.005 0.000 2.333 153 D HA -0.008 4.631 4.640 -0.001 0.000 0.208 153 D C 0.732 177.066 176.300 0.058 0.000 0.984 153 D CA 0.775 54.806 54.000 0.052 0.000 0.873 153 D CB 0.321 41.203 40.800 0.138 0.000 0.935 153 D HN 0.230 nan 8.370 nan 0.000 0.521 154 Y N -0.142 119.993 120.300 -0.275 0.000 3.189 154 Y HA 0.310 4.859 4.550 -0.001 0.000 0.213 154 Y C 2.000 177.694 175.900 -0.344 0.000 1.032 154 Y CA 0.613 58.525 58.100 -0.314 0.000 1.482 154 Y CB -0.211 37.996 38.460 -0.422 0.000 1.460 154 Y HN -0.153 nan 8.280 nan 0.000 0.398 155 A N 0.977 123.498 122.820 -0.500 0.000 1.927 155 A HA -0.256 4.063 4.320 -0.001 0.000 0.220 155 A C 1.796 179.309 177.584 -0.118 0.000 1.185 155 A CA 2.572 54.465 52.037 -0.240 0.000 0.639 155 A CB -0.650 18.210 19.000 -0.233 0.000 0.820 155 A HN 0.709 nan 8.150 nan 0.000 0.451 156 E N -1.066 119.053 120.200 -0.135 0.000 2.024 156 E HA -0.065 4.285 4.350 -0.001 0.000 0.190 156 E C -0.510 176.040 176.600 -0.083 0.000 0.974 156 E CA 0.647 56.998 56.400 -0.081 0.000 0.810 156 E CB -0.500 29.165 29.700 -0.058 0.000 0.775 156 E HN 0.485 nan 8.360 nan 0.000 0.453 157 P HA -0.216 nan 4.420 nan 0.000 0.216 157 P C 1.390 178.642 177.300 -0.080 0.000 1.150 157 P CA 1.236 64.294 63.100 -0.070 0.000 0.843 157 P CB -0.083 31.587 31.700 -0.052 0.000 0.787 158 F N 2.428 122.156 119.950 -0.369 0.000 2.031 158 F HA -0.057 4.469 4.527 -0.002 0.000 0.295 158 F C -0.836 174.857 175.800 -0.178 0.000 1.133 158 F CA 1.665 59.427 58.000 -0.397 0.000 1.188 158 F CB -1.961 36.518 39.000 -0.868 0.000 0.974 158 F HN -0.014 nan 8.300 nan 0.000 0.473 159 P HA -0.091 nan 4.420 nan 0.000 0.216 159 P C 2.125 179.330 177.300 -0.158 0.000 1.153 159 P CA 1.904 64.805 63.100 -0.331 0.000 0.844 159 P CB -0.057 31.571 31.700 -0.121 0.000 0.787 160 I N -0.728 119.788 120.570 -0.090 0.000 2.179 160 I HA -0.230 3.940 4.170 -0.001 0.000 0.242 160 I C 2.462 178.592 176.117 0.022 0.000 1.088 160 I CA 1.516 62.811 61.300 -0.008 0.000 1.357 160 I CB -0.443 37.546 38.000 -0.018 0.000 1.051 160 I HN -0.150 nan 8.210 nan 0.000 0.409 161 R N 0.292 120.770 120.500 -0.036 0.000 2.115 161 R HA -0.088 4.251 4.340 -0.001 0.000 0.230 161 R C 2.230 178.502 176.300 -0.046 0.000 1.111 161 R CA 0.997 57.081 56.100 -0.026 0.000 0.976 161 R CB -0.109 30.175 30.300 -0.026 0.000 0.870 161 R HN 0.276 nan 8.270 nan 0.000 0.445 162 I N -0.083 120.425 120.570 -0.104 0.000 2.315 162 I HA -0.236 3.933 4.170 -0.001 0.000 0.248 162 I C 2.056 178.145 176.117 -0.046 0.000 1.117 162 I CA 1.233 62.464 61.300 -0.114 0.000 1.404 162 I CB -0.758 37.101 38.000 -0.235 0.000 1.071 162 I HN 0.070 nan 8.210 nan 0.000 0.419 163 F N 1.514 121.390 119.950 -0.123 0.000 2.113 163 F HA -0.209 4.317 4.527 -0.001 0.000 0.297 163 F C 2.577 178.344 175.800 -0.055 0.000 1.103 163 F CA 1.520 59.469 58.000 -0.084 0.000 1.248 163 F CB -0.158 38.794 39.000 -0.081 0.000 0.999 163 F HN -0.089 nan 8.300 nan 0.000 0.475 164 M N -0.366 119.231 119.600 -0.004 0.000 2.202 164 M HA -0.168 4.311 4.480 -0.001 0.000 0.262 164 M C 2.235 178.459 176.300 -0.126 0.000 1.063 164 M CA 1.221 56.483 55.300 -0.062 0.000 1.097 164 M CB -1.521 31.096 32.600 0.028 0.000 1.382 164 M HN 0.339 nan 8.290 nan 0.000 0.413 165 L N 0.469 121.627 121.223 -0.108 0.000 2.027 165 L HA -0.118 4.221 4.340 -0.001 0.000 0.206 165 L C 2.232 179.018 176.870 -0.140 0.000 1.074 165 L CA 1.435 56.217 54.840 -0.096 0.000 0.745 165 L CB -0.942 41.076 42.059 -0.068 0.000 0.898 165 L HN 0.230 nan 8.230 nan 0.000 0.433 166 L N -0.169 120.932 121.223 -0.204 0.000 2.093 166 L HA -0.008 4.331 4.340 -0.001 0.000 0.208 166 L C 2.263 178.959 176.870 -0.290 0.000 1.085 166 L CA 1.966 56.668 54.840 -0.230 0.000 0.755 166 L CB -0.820 41.086 42.059 -0.256 0.000 0.904 166 L HN 0.263 nan 8.230 nan 0.000 0.435 167 A N -0.993 121.570 122.820 -0.428 0.000 2.169 167 A HA 0.368 4.687 4.320 -0.001 0.000 0.212 167 A C 1.650 179.129 177.584 -0.175 0.000 1.153 167 A CA 0.553 52.370 52.037 -0.366 0.000 0.756 167 A CB -0.840 17.838 19.000 -0.538 0.000 0.813 167 A HN 0.835 nan 8.150 nan 0.000 0.471 168 G N -0.699 108.017 108.800 -0.139 0.000 2.225 168 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.264 168 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.264 168 G C -0.155 174.724 174.900 -0.035 0.000 1.060 168 G CA 0.457 45.513 45.100 -0.073 0.000 0.833 168 G HN 0.483 nan 8.290 nan 0.000 0.498 169 L N 0.778 121.988 121.223 -0.021 0.000 2.329 169 L HA 0.521 4.860 4.340 -0.001 0.000 0.279 169 L C -1.569 175.331 176.870 0.050 0.000 1.014 169 L CA -2.476 52.394 54.840 0.050 0.000 0.814 169 L CB 1.875 44.005 42.059 0.118 0.000 1.257 169 L HN -0.040 nan 8.230 nan 0.000 0.424 170 P HA 0.032 nan 4.420 nan 0.000 0.268 170 P C -0.102 177.235 177.300 0.062 0.000 1.204 170 P CA -0.053 63.080 63.100 0.054 0.000 0.768 170 P CB 0.842 32.575 31.700 0.055 0.000 0.842 171 E N 1.834 122.059 120.200 0.041 0.000 2.265 171 E HA -0.187 4.162 4.350 -0.001 0.000 0.196 171 E C 1.472 178.099 176.600 0.045 0.000 0.996 171 E CA 0.996 57.419 56.400 0.039 0.000 0.832 171 E CB 0.052 29.767 29.700 0.026 0.000 0.756 171 E HN 0.683 nan 8.360 nan 0.000 0.491 172 E N 0.930 121.160 120.200 0.049 0.000 2.418 172 E HA -0.160 4.189 4.350 -0.001 0.000 0.197 172 E C 0.822 177.464 176.600 0.071 0.000 1.026 172 E CA 0.775 57.205 56.400 0.050 0.000 0.862 172 E CB 0.046 29.770 29.700 0.041 0.000 0.799 172 E HN 0.094 nan 8.360 nan 0.000 0.518 173 D N 0.863 121.319 120.400 0.095 0.000 2.348 173 D HA 0.082 4.722 4.640 -0.001 0.000 0.211 173 D C 1.790 178.138 176.300 0.078 0.000 0.998 173 D CA 0.169 54.246 54.000 0.129 0.000 0.873 173 D CB 0.047 40.975 40.800 0.213 0.000 0.925 173 D HN 0.275 nan 8.370 nan 0.000 0.524 174 I N 1.515 122.118 120.570 0.056 0.000 2.118 174 I HA -0.242 3.927 4.170 -0.001 0.000 0.241 174 I C -0.568 175.572 176.117 0.038 0.000 1.070 174 I CA 1.344 62.664 61.300 0.033 0.000 1.327 174 I CB -1.375 36.642 38.000 0.029 0.000 1.034 174 I HN 0.013 nan 8.210 nan 0.000 0.405 175 P HA -0.220 nan 4.420 nan 0.000 0.215 175 P C 1.516 178.887 177.300 0.120 0.000 1.157 175 P CA 1.690 64.834 63.100 0.075 0.000 0.874 175 P CB -0.080 31.658 31.700 0.063 0.000 0.790 176 H N -0.548 118.535 119.070 0.022 0.000 2.321 176 H HA -0.042 4.513 4.556 -0.001 0.000 0.300 176 H C 1.805 177.140 175.328 0.013 0.000 1.087 176 H CA 1.502 57.570 56.048 0.034 0.000 1.319 176 H CB -1.022 28.749 29.762 0.015 0.000 1.379 176 H HN -0.038 nan 8.280 nan 0.000 0.501 177 L N -0.187 120.939 121.223 -0.162 0.000 2.056 177 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 177 L C 2.512 179.276 176.870 -0.177 0.000 1.078 177 L CA 1.462 56.132 54.840 -0.283 0.000 0.749 177 L CB -0.392 41.505 42.059 -0.269 0.000 0.901 177 L HN 0.187 nan 8.230 nan 0.000 0.433 178 K N 0.009 120.363 120.400 -0.077 0.000 2.057 178 K HA -0.241 4.078 4.320 -0.001 0.000 0.206 178 K C 2.117 178.696 176.600 -0.035 0.000 1.050 178 K CA 1.525 57.783 56.287 -0.048 0.000 0.935 178 K CB -0.637 31.860 32.500 -0.005 0.000 0.715 178 K HN 0.205 nan 8.250 nan 0.000 0.439 179 Y N 0.863 121.107 120.300 -0.093 0.000 2.097 179 Y HA -0.172 4.377 4.550 -0.001 0.000 0.282 179 Y C 1.682 177.521 175.900 -0.102 0.000 1.152 179 Y CA 1.940 59.995 58.100 -0.074 0.000 1.136 179 Y CB -0.353 38.075 38.460 -0.053 0.000 0.975 179 Y HN 0.029 nan 8.280 nan 0.000 0.498 180 L N -0.984 120.042 121.223 -0.328 0.000 2.046 180 L HA -0.252 4.087 4.340 -0.001 0.000 0.208 180 L C 2.430 179.119 176.870 -0.301 0.000 1.077 180 L CA 1.914 56.520 54.840 -0.390 0.000 0.747 180 L CB -0.940 40.913 42.059 -0.343 0.000 0.896 180 L HN 0.219 nan 8.230 nan 0.000 0.432 181 T N -0.898 113.526 114.554 -0.216 0.000 2.788 181 T HA -0.172 4.177 4.350 -0.001 0.000 0.268 181 T C 1.384 176.043 174.700 -0.068 0.000 1.044 181 T CA 1.449 63.479 62.100 -0.118 0.000 1.139 181 T CB -0.187 68.617 68.868 -0.107 0.000 0.867 181 T HN 0.303 nan 8.240 nan 0.000 0.454 182 D N 0.919 121.245 120.400 -0.123 0.000 2.178 182 D HA -0.058 4.581 4.640 -0.001 0.000 0.201 182 D C 2.334 178.588 176.300 -0.076 0.000 0.980 182 D CA 0.737 54.691 54.000 -0.076 0.000 0.842 182 D CB -0.162 40.586 40.800 -0.086 0.000 0.948 182 D HN 0.294 nan 8.370 nan 0.000 0.472 183 Q N -0.522 119.156 119.800 -0.203 0.000 2.297 183 Q HA 0.082 4.421 4.340 -0.001 0.000 0.204 183 Q C 2.031 178.067 176.000 0.059 0.000 0.962 183 Q CA 0.474 56.192 55.803 -0.142 0.000 0.879 183 Q CB -0.141 28.420 28.738 -0.295 0.000 0.947 183 Q HN 0.453 nan 8.270 nan 0.000 0.462 184 M N -0.264 119.420 119.600 0.139 0.000 2.506 184 M HA -0.028 4.451 4.480 -0.001 0.000 0.260 184 M C 1.631 178.306 176.300 0.625 0.000 1.104 184 M CA 1.463 57.043 55.300 0.467 0.000 1.112 184 M CB 0.055 32.916 32.600 0.434 0.000 1.401 184 M HN 0.216 nan 8.290 nan 0.000 0.473 185 T N -2.398 112.379 114.554 0.371 0.000 3.026 185 T HA 0.202 4.551 4.350 -0.001 0.000 0.245 185 T C 1.086 175.958 174.700 0.286 0.000 1.004 185 T CA -0.235 62.054 62.100 0.315 0.000 1.069 185 T CB 0.233 69.235 68.868 0.223 0.000 1.005 185 T HN 0.269 nan 8.240 nan 0.000 0.472 186 R N 2.268 122.902 120.500 0.223 0.000 2.638 186 R HA 0.324 4.663 4.340 -0.001 0.000 0.261 186 R C -2.964 173.411 176.300 0.124 0.000 1.515 186 R CA -1.621 54.612 56.100 0.221 0.000 1.623 186 R CB 1.137 31.535 30.300 0.164 0.000 1.347 186 R HN 0.367 nan 8.270 nan 0.000 0.705 187 P HA -0.075 nan 4.420 nan 0.000 0.264 187 P C -0.371 176.926 177.300 -0.004 0.000 1.183 187 P CA 0.415 63.512 63.100 -0.006 0.000 0.763 187 P CB 0.809 32.480 31.700 -0.050 0.000 0.807 188 D N 1.349 121.756 120.400 0.010 0.000 2.339 188 D HA 0.128 4.767 4.640 -0.001 0.000 0.217 188 D C 1.465 177.779 176.300 0.023 0.000 1.050 188 D CA 0.456 54.477 54.000 0.035 0.000 0.856 188 D CB -0.269 40.576 40.800 0.074 0.000 0.922 188 D HN 0.611 nan 8.370 nan 0.000 0.518 189 G N 0.230 109.031 108.800 0.002 0.000 2.254 189 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.225 189 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.225 189 G C 1.329 176.242 174.900 0.022 0.000 1.003 189 G CA 0.560 45.660 45.100 -0.001 0.000 0.622 189 G HN 0.627 nan 8.290 nan 0.000 0.507 190 S N -0.644 115.090 115.700 0.055 0.000 2.442 190 S HA 0.410 4.879 4.470 -0.001 0.000 0.236 190 S C 0.943 175.588 174.600 0.076 0.000 1.007 190 S CA 1.553 59.804 58.200 0.085 0.000 0.965 190 S CB 0.142 63.440 63.200 0.164 0.000 0.773 190 S HN 0.625 nan 8.310 nan 0.000 0.504 191 M N 1.660 121.285 119.600 0.041 0.000 2.421 191 M HA 0.302 4.781 4.480 -0.001 0.000 0.287 191 M C -0.775 175.524 176.300 -0.002 0.000 1.183 191 M CA -0.471 54.839 55.300 0.017 0.000 0.916 191 M CB 2.589 35.185 32.600 -0.006 0.000 1.701 191 M HN 0.277 nan 8.290 nan 0.000 0.470 192 T N -0.908 113.649 114.554 0.006 0.000 2.849 192 T HA 0.288 4.637 4.350 -0.001 0.000 0.284 192 T C 0.745 175.473 174.700 0.046 0.000 1.004 192 T CA -0.546 61.576 62.100 0.037 0.000 1.021 192 T CB 0.815 69.710 68.868 0.045 0.000 1.013 192 T HN 0.578 nan 8.240 nan 0.000 0.527 193 F N 1.674 121.622 119.950 -0.004 0.000 2.095 193 F HA -0.023 4.504 4.527 -0.001 0.000 0.298 193 F C 2.579 178.334 175.800 -0.075 0.000 1.104 193 F CA 1.983 59.981 58.000 -0.004 0.000 1.232 193 F CB -1.046 37.991 39.000 0.062 0.000 0.987 193 F HN 0.741 nan 8.300 nan 0.000 0.475 194 A N 0.169 122.997 122.820 0.012 0.000 1.917 194 A HA -0.268 4.051 4.320 -0.001 0.000 0.219 194 A C 2.104 179.565 177.584 -0.204 0.000 1.182 194 A CA 2.165 54.139 52.037 -0.104 0.000 0.633 194 A CB -0.994 18.027 19.000 0.036 0.000 0.819 194 A HN 0.634 nan 8.150 nan 0.000 0.448 195 E N -0.450 119.670 120.200 -0.132 0.000 2.106 195 E HA -0.037 4.312 4.350 -0.001 0.000 0.192 195 E C 2.307 178.803 176.600 -0.173 0.000 0.984 195 E CA 0.817 57.154 56.400 -0.106 0.000 0.806 195 E CB -0.285 29.391 29.700 -0.041 0.000 0.750 195 E HN 0.632 nan 8.360 nan 0.000 0.458 196 A N 1.842 124.506 122.820 -0.260 0.000 1.930 196 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 196 A C 2.072 179.403 177.584 -0.423 0.000 1.175 196 A CA 1.471 53.322 52.037 -0.311 0.000 0.627 196 A CB -0.332 18.465 19.000 -0.338 0.000 0.815 196 A HN 0.055 nan 8.150 nan 0.000 0.443 197 K N -0.146 119.859 120.400 -0.657 0.000 2.002 197 K HA -0.201 4.118 4.320 -0.001 0.000 0.209 197 K C 1.943 178.200 176.600 -0.571 0.000 1.048 197 K CA 1.735 57.555 56.287 -0.778 0.000 0.930 197 K CB -0.240 31.668 32.500 -0.988 0.000 0.714 197 K HN 0.595 nan 8.250 nan 0.000 0.438 198 E N -0.031 119.975 120.200 -0.324 0.000 2.070 198 E HA -0.244 4.105 4.350 -0.001 0.000 0.197 198 E C 1.949 178.540 176.600 -0.016 0.000 1.004 198 E CA 1.459 57.804 56.400 -0.092 0.000 0.805 198 E CB -0.200 29.476 29.700 -0.039 0.000 0.744 198 E HN 0.463 nan 8.360 nan 0.000 0.451 199 A N 0.822 123.616 122.820 -0.045 0.000 1.940 199 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 199 A C 2.146 179.772 177.584 0.070 0.000 1.176 199 A CA 1.176 53.239 52.037 0.044 0.000 0.631 199 A CB -0.487 18.532 19.000 0.031 0.000 0.814 199 A HN 0.236 nan 8.150 nan 0.000 0.446 200 L N -1.820 119.370 121.223 -0.055 0.000 2.072 200 L HA -0.080 4.259 4.340 -0.001 0.000 0.205 200 L C 2.268 179.263 176.870 0.209 0.000 1.079 200 L CA 1.735 56.569 54.840 -0.011 0.000 0.752 200 L CB -0.645 41.321 42.059 -0.155 0.000 0.906 200 L HN 0.435 nan 8.230 nan 0.000 0.436 201 Y N -0.260 120.082 120.300 0.070 0.000 2.242 201 Y HA -0.209 4.341 4.550 -0.001 0.000 0.291 201 Y C 2.522 178.473 175.900 0.085 0.000 1.137 201 Y CA 1.191 59.335 58.100 0.072 0.000 1.181 201 Y CB -1.027 37.455 38.460 0.036 0.000 0.989 201 Y HN 0.395 nan 8.280 nan 0.000 0.527 202 D N -1.112 119.442 120.400 0.256 0.000 2.144 202 D HA -0.247 4.392 4.640 -0.001 0.000 0.199 202 D C 2.145 178.552 176.300 0.178 0.000 0.984 202 D CA 1.063 55.169 54.000 0.176 0.000 0.834 202 D CB -0.365 40.525 40.800 0.150 0.000 0.955 202 D HN 0.370 nan 8.370 nan 0.000 0.465 203 Y N 0.370 120.743 120.300 0.121 0.000 2.200 203 Y HA -0.035 4.514 4.550 -0.001 0.000 0.290 203 Y C 1.915 177.866 175.900 0.086 0.000 1.137 203 Y CA 1.362 59.530 58.100 0.114 0.000 1.163 203 Y CB -0.161 38.389 38.460 0.150 0.000 0.988 203 Y HN -0.011 nan 8.280 nan 0.000 0.518 204 L N -0.359 121.018 121.223 0.257 0.000 2.072 204 L HA -0.172 4.167 4.340 -0.001 0.000 0.205 204 L C 2.370 179.246 176.870 0.010 0.000 1.079 204 L CA 1.076 55.997 54.840 0.134 0.000 0.752 204 L CB -0.518 41.677 42.059 0.227 0.000 0.906 204 L HN 0.280 nan 8.230 nan 0.000 0.436 205 I N 0.179 120.762 120.570 0.022 0.000 2.113 205 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 205 I C -0.307 175.784 176.117 -0.043 0.000 1.064 205 I CA 1.894 63.183 61.300 -0.018 0.000 1.320 205 I CB -1.538 36.459 38.000 -0.006 0.000 1.028 205 I HN 0.230 nan 8.210 nan 0.000 0.406 206 P HA -0.125 nan 4.420 nan 0.000 0.216 206 P C 1.858 179.106 177.300 -0.086 0.000 1.153 206 P CA 1.502 64.558 63.100 -0.073 0.000 0.848 206 P CB -0.024 31.623 31.700 -0.089 0.000 0.787 207 I N -1.250 119.247 120.570 -0.122 0.000 2.226 207 I HA -0.215 3.955 4.170 -0.001 0.000 0.245 207 I C 2.247 178.326 176.117 -0.063 0.000 1.100 207 I CA 1.385 62.618 61.300 -0.112 0.000 1.374 207 I CB -0.527 37.378 38.000 -0.158 0.000 1.057 207 I HN -0.116 nan 8.210 nan 0.000 0.413 208 I N 0.510 121.051 120.570 -0.047 0.000 2.315 208 I HA -0.253 3.916 4.170 -0.001 0.000 0.248 208 I C 2.603 178.701 176.117 -0.032 0.000 1.117 208 I CA 1.164 62.445 61.300 -0.031 0.000 1.404 208 I CB -0.260 37.724 38.000 -0.026 0.000 1.071 208 I HN 0.229 nan 8.210 nan 0.000 0.419 209 E N 1.459 121.637 120.200 -0.036 0.000 2.072 209 E HA -0.268 4.081 4.350 -0.001 0.000 0.191 209 E C 2.042 178.623 176.600 -0.031 0.000 0.985 209 E CA 1.735 58.116 56.400 -0.031 0.000 0.801 209 E CB -0.192 29.489 29.700 -0.032 0.000 0.750 209 E HN 0.634 nan 8.360 nan 0.000 0.452 210 Q N -0.009 119.769 119.800 -0.038 0.000 2.050 210 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 210 Q C 2.124 178.106 176.000 -0.030 0.000 0.980 210 Q CA 1.742 57.523 55.803 -0.035 0.000 0.840 210 Q CB -0.389 28.323 28.738 -0.043 0.000 0.898 210 Q HN 0.052 nan 8.270 nan 0.000 0.424 211 R N -0.104 120.377 120.500 -0.031 0.000 2.235 211 R HA 0.116 4.455 4.340 -0.001 0.000 0.213 211 R C 2.159 178.446 176.300 -0.022 0.000 1.059 211 R CA 0.991 57.075 56.100 -0.027 0.000 0.997 211 R CB 0.023 30.307 30.300 -0.027 0.000 0.884 211 R HN 0.286 nan 8.270 nan 0.000 0.462 212 R N -0.412 120.076 120.500 -0.021 0.000 2.153 212 R HA -0.001 4.338 4.340 -0.001 0.000 0.218 212 R C 1.572 177.862 176.300 -0.017 0.000 1.072 212 R CA 0.729 56.819 56.100 -0.017 0.000 0.990 212 R CB 0.203 30.494 30.300 -0.016 0.000 0.889 212 R HN 0.199 nan 8.270 nan 0.000 0.452 213 Q N 0.259 120.048 119.800 -0.019 0.000 2.163 213 Q HA 0.033 4.372 4.340 -0.001 0.000 0.198 213 Q C 0.289 176.278 176.000 -0.017 0.000 0.954 213 Q CA 1.121 56.914 55.803 -0.017 0.000 0.851 213 Q CB 0.454 29.181 28.738 -0.018 0.000 0.928 213 Q HN 0.053 nan 8.270 nan 0.000 0.459 214 K N 0.956 121.344 120.400 -0.019 0.000 2.762 214 K HA 0.300 4.619 4.320 -0.001 0.000 0.180 214 K C -2.599 173.989 176.600 -0.019 0.000 1.067 214 K CA -1.602 54.673 56.287 -0.018 0.000 0.973 214 K CB 1.460 33.949 32.500 -0.019 0.000 1.290 214 K HN -0.103 nan 8.250 nan 0.000 0.604 215 P HA -0.124 nan 4.420 nan 0.000 0.257 215 P C 0.039 177.327 177.300 -0.020 0.000 1.162 215 P CA 0.471 63.560 63.100 -0.018 0.000 0.762 215 P CB 0.864 32.554 31.700 -0.016 0.000 0.753 216 G N 1.611 110.398 108.800 -0.022 0.000 2.990 216 G HA2 0.447 4.406 3.960 -0.001 0.000 0.208 216 G HA3 0.447 4.406 3.960 -0.001 0.000 0.208 216 G C 0.638 175.522 174.900 -0.026 0.000 1.334 216 G CA -0.076 45.009 45.100 -0.024 0.000 1.024 216 G HN 0.377 nan 8.290 nan 0.000 0.574 217 T N -2.159 112.377 114.554 -0.029 0.000 3.001 217 T HA 0.154 4.504 4.350 -0.001 0.000 0.251 217 T C 0.577 175.252 174.700 -0.042 0.000 1.040 217 T CA 0.613 62.694 62.100 -0.032 0.000 0.985 217 T CB -0.315 68.535 68.868 -0.030 0.000 1.011 217 T HN 0.616 nan 8.240 nan 0.000 0.509 218 D N 1.427 121.798 120.400 -0.048 0.000 2.361 218 D HA 0.498 5.137 4.640 -0.001 0.000 0.239 218 D C 1.660 177.918 176.300 -0.070 0.000 1.200 218 D CA -0.064 53.895 54.000 -0.069 0.000 0.915 218 D CB 0.721 41.478 40.800 -0.072 0.000 1.170 218 D HN 0.062 nan 8.370 nan 0.000 0.444 219 A N 1.009 123.767 122.820 -0.102 0.000 1.908 219 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 219 A C 2.212 179.763 177.584 -0.055 0.000 1.181 219 A CA 1.346 53.329 52.037 -0.090 0.000 0.627 219 A CB -1.004 17.904 19.000 -0.153 0.000 0.818 219 A HN 0.694 nan 8.150 nan 0.000 0.445 220 I N -0.379 120.157 120.570 -0.057 0.000 2.252 220 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 220 I C 2.652 178.757 176.117 -0.019 0.000 1.102 220 I CA 1.358 62.644 61.300 -0.024 0.000 1.385 220 I CB -0.214 37.778 38.000 -0.013 0.000 1.064 220 I HN 0.219 nan 8.210 nan 0.000 0.414 221 S N 0.749 116.432 115.700 -0.028 0.000 2.368 221 S HA -0.100 4.369 4.470 -0.001 0.000 0.225 221 S C 2.012 176.602 174.600 -0.018 0.000 1.030 221 S CA 1.025 59.211 58.200 -0.023 0.000 0.999 221 S CB -0.162 63.021 63.200 -0.027 0.000 0.844 221 S HN 0.271 nan 8.310 nan 0.000 0.459 222 I N 1.306 121.864 120.570 -0.020 0.000 2.286 222 I HA -0.092 4.077 4.170 -0.001 0.000 0.248 222 I C 2.245 178.361 176.117 -0.003 0.000 1.115 222 I CA 1.048 62.340 61.300 -0.014 0.000 1.392 222 I CB -1.499 36.491 38.000 -0.017 0.000 1.065 222 I HN 0.164 nan 8.210 nan 0.000 0.418 223 V N 1.258 121.174 119.914 0.003 0.000 2.323 223 V HA -0.162 3.957 4.120 -0.001 0.000 0.244 223 V C 2.806 178.912 176.094 0.019 0.000 1.041 223 V CA 1.650 63.962 62.300 0.020 0.000 1.025 223 V CB -1.006 30.833 31.823 0.028 0.000 0.656 223 V HN 0.434 nan 8.190 nan 0.000 0.451 224 A N 0.255 123.080 122.820 0.008 0.000 1.972 224 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 224 A C 1.827 179.411 177.584 0.001 0.000 1.169 224 A CA 2.262 54.301 52.037 0.004 0.000 0.635 224 A CB -0.672 18.324 19.000 -0.006 0.000 0.810 224 A HN 0.703 nan 8.150 nan 0.000 0.446 225 N N -0.853 117.845 118.700 -0.003 0.000 2.236 225 N HA 0.261 5.000 4.740 -0.001 0.000 0.196 225 N C 0.839 176.345 175.510 -0.006 0.000 1.114 225 N CA 0.232 53.278 53.050 -0.006 0.000 0.859 225 N CB 0.435 38.916 38.487 -0.011 0.000 0.982 225 N HN 0.436 nan 8.380 nan 0.000 0.493 226 G N 0.091 108.890 108.800 -0.000 0.000 2.651 226 G HA2 0.230 4.189 3.960 -0.001 0.000 0.260 226 G HA3 0.230 4.189 3.960 -0.001 0.000 0.260 226 G C -0.452 174.440 174.900 -0.013 0.000 1.216 226 G CA -0.296 44.802 45.100 -0.005 0.000 0.913 226 G HN 0.113 nan 8.290 nan 0.000 0.535 227 Q N -1.271 118.512 119.800 -0.029 0.000 2.342 227 Q HA 0.459 4.798 4.340 -0.001 0.000 0.267 227 Q C -0.680 175.266 176.000 -0.090 0.000 1.038 227 Q CA -0.950 54.822 55.803 -0.052 0.000 0.832 227 Q CB 2.742 31.451 28.738 -0.048 0.000 1.323 227 Q HN 0.518 nan 8.270 nan 0.000 0.448 228 V N 0.400 120.226 119.914 -0.147 0.000 2.294 228 V HA 0.343 4.462 4.120 -0.001 0.000 0.272 228 V C -0.135 175.826 176.094 -0.221 0.000 1.027 228 V CA -0.487 61.649 62.300 -0.274 0.000 0.823 228 V CB 0.186 31.677 31.823 -0.553 0.000 1.030 228 V HN 0.971 nan 8.190 nan 0.000 0.457 229 N N 4.065 122.666 118.700 -0.165 0.000 2.714 229 N HA -0.220 4.519 4.740 -0.001 0.000 0.253 229 N C 1.146 176.602 175.510 -0.089 0.000 1.024 229 N CA 0.611 53.590 53.050 -0.118 0.000 0.726 229 N CB -1.056 37.355 38.487 -0.128 0.000 0.908 229 N HN 1.731 nan 8.380 nan 0.000 0.542 230 G N -0.448 108.307 108.800 -0.074 0.000 2.199 230 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.254 230 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.254 230 G C 0.078 174.947 174.900 -0.052 0.000 0.982 230 G CA 0.870 45.937 45.100 -0.055 0.000 0.632 230 G HN 0.769 nan 8.290 nan 0.000 0.529 231 R N -0.365 120.096 120.500 -0.065 0.000 2.803 231 R HA 0.756 5.095 4.340 -0.001 0.000 0.276 231 R C -3.253 173.017 176.300 -0.050 0.000 0.978 231 R CA -2.443 53.626 56.100 -0.051 0.000 0.939 231 R CB 0.605 30.875 30.300 -0.050 0.000 1.179 231 R HN 0.057 nan 8.270 nan 0.000 0.472 232 P HA 0.008 nan 4.420 nan 0.000 0.265 232 P C -0.363 176.933 177.300 -0.008 0.000 1.193 232 P CA -0.112 62.977 63.100 -0.019 0.000 0.765 232 P CB 0.469 32.163 31.700 -0.011 0.000 0.823 233 I N 2.652 123.225 120.570 0.004 0.000 2.720 233 I HA 0.154 4.323 4.170 -0.001 0.000 0.287 233 I C 0.675 176.819 176.117 0.045 0.000 1.090 233 I CA -0.099 61.230 61.300 0.047 0.000 1.384 233 I CB 0.964 39.006 38.000 0.070 0.000 1.420 233 I HN 0.385 nan 8.210 nan 0.000 0.575 234 T N 2.149 116.742 114.554 0.065 0.000 2.847 234 T HA 0.227 4.577 4.350 -0.001 0.000 0.279 234 T C 0.979 175.689 174.700 0.016 0.000 0.984 234 T CA -0.469 61.651 62.100 0.033 0.000 0.988 234 T CB 1.540 70.428 68.868 0.033 0.000 1.040 234 T HN 0.652 nan 8.240 nan 0.000 0.528 235 S N 0.173 115.870 115.700 -0.007 0.000 2.382 235 S HA -0.100 4.369 4.470 -0.001 0.000 0.228 235 S C 1.654 176.221 174.600 -0.054 0.000 1.027 235 S CA 1.393 59.578 58.200 -0.026 0.000 0.991 235 S CB -0.600 62.582 63.200 -0.031 0.000 0.823 235 S HN 0.931 nan 8.310 nan 0.000 0.469 236 D N 1.092 121.456 120.400 -0.059 0.000 2.117 236 D HA -0.093 4.546 4.640 -0.001 0.000 0.198 236 D C 1.915 178.149 176.300 -0.110 0.000 0.982 236 D CA 1.128 55.063 54.000 -0.108 0.000 0.828 236 D CB -0.081 40.668 40.800 -0.084 0.000 0.967 236 D HN 0.440 nan 8.370 nan 0.000 0.464 237 E N -0.211 119.966 120.200 -0.039 0.000 2.106 237 E HA -0.103 4.246 4.350 -0.001 0.000 0.192 237 E C 2.099 178.693 176.600 -0.011 0.000 0.984 237 E CA 0.915 57.303 56.400 -0.020 0.000 0.806 237 E CB -0.122 29.664 29.700 0.142 0.000 0.750 237 E HN 0.331 nan 8.360 nan 0.000 0.458 238 A N 1.679 124.503 122.820 0.007 0.000 1.930 238 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 238 A C 2.053 179.622 177.584 -0.025 0.000 1.175 238 A CA 1.492 53.536 52.037 0.010 0.000 0.627 238 A CB -0.335 18.670 19.000 0.009 0.000 0.815 238 A HN 0.062 nan 8.150 nan 0.000 0.443 239 K N -0.254 120.094 120.400 -0.086 0.000 2.002 239 K HA -0.149 4.170 4.320 -0.001 0.000 0.209 239 K C 2.220 178.755 176.600 -0.108 0.000 1.048 239 K CA 1.387 57.588 56.287 -0.143 0.000 0.930 239 K CB -0.226 32.078 32.500 -0.327 0.000 0.714 239 K HN 0.425 nan 8.250 nan 0.000 0.438 240 R N 0.092 120.506 120.500 -0.144 0.000 2.152 240 R HA -0.114 4.226 4.340 -0.001 0.000 0.232 240 R C 2.376 178.716 176.300 0.067 0.000 1.117 240 R CA 1.542 57.681 56.100 0.064 0.000 0.981 240 R CB -0.241 30.052 30.300 -0.011 0.000 0.870 240 R HN 0.370 nan 8.270 nan 0.000 0.451 241 M N -0.135 119.463 119.600 -0.003 0.000 2.193 241 M HA -0.119 4.360 4.480 -0.001 0.000 0.265 241 M C 2.001 178.288 176.300 -0.022 0.000 1.071 241 M CA 1.450 56.751 55.300 0.001 0.000 1.140 241 M CB 0.053 32.679 32.600 0.044 0.000 1.369 241 M HN 0.171 nan 8.290 nan 0.000 0.423 242 C N 0.543 119.840 119.300 -0.005 0.000 2.419 242 C HA -0.036 4.423 4.460 -0.001 0.000 0.281 242 C C 2.706 177.645 174.990 -0.086 0.000 1.336 242 C CA 0.891 59.913 59.018 0.006 0.000 1.770 242 C CB -1.898 25.870 27.740 0.047 0.000 1.929 242 C HN 0.812 nan 8.230 nan 0.000 0.509 243 G N 0.598 109.291 108.800 -0.179 0.000 2.433 243 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.216 243 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.216 243 G C 1.901 176.156 174.900 -1.075 0.000 1.186 243 G CA 1.021 45.732 45.100 -0.649 0.000 0.779 243 G HN 0.590 nan 8.290 nan 0.000 0.543 244 A N 0.491 122.820 122.820 -0.818 0.000 1.933 244 A HA 0.074 4.393 4.320 -0.001 0.000 0.218 244 A C 2.456 179.899 177.584 -0.235 0.000 1.175 244 A CA 1.316 53.074 52.037 -0.464 0.000 0.628 244 A CB -0.394 18.542 19.000 -0.106 0.000 0.814 244 A HN 0.365 nan 8.150 nan 0.000 0.444 245 L N -0.896 120.249 121.223 -0.131 0.000 2.046 245 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 245 L C 2.608 179.424 176.870 -0.090 0.000 1.077 245 L CA 1.139 55.987 54.840 0.013 0.000 0.747 245 L CB -0.560 41.600 42.059 0.169 0.000 0.896 245 L HN 0.380 nan 8.230 nan 0.000 0.432 246 L N -0.810 120.345 121.223 -0.114 0.000 2.056 246 L HA -0.240 4.099 4.340 -0.001 0.000 0.207 246 L C 2.568 179.211 176.870 -0.379 0.000 1.078 246 L CA 0.680 55.368 54.840 -0.254 0.000 0.749 246 L CB -0.394 41.600 42.059 -0.108 0.000 0.901 246 L HN 0.239 nan 8.230 nan 0.000 0.433 247 L N 0.189 121.234 121.223 -0.297 0.000 2.013 247 L HA -0.149 4.191 4.340 -0.001 0.000 0.212 247 L C 2.294 179.079 176.870 -0.141 0.000 1.073 247 L CA 2.332 57.074 54.840 -0.163 0.000 0.753 247 L CB -1.171 40.852 42.059 -0.059 0.000 0.890 247 L HN 0.170 nan 8.230 nan 0.000 0.432 248 G N -1.705 106.996 108.800 -0.164 0.000 2.396 248 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.214 248 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.214 248 G C 1.472 176.206 174.900 -0.276 0.000 1.166 248 G CA 0.426 45.448 45.100 -0.129 0.000 0.793 248 G HN 0.583 nan 8.290 nan 0.000 0.533 249 G N 0.126 108.553 108.800 -0.623 0.000 2.534 249 G HA2 0.060 4.019 3.960 -0.001 0.000 0.217 249 G HA3 0.060 4.019 3.960 -0.001 0.000 0.217 249 G C 1.474 175.925 174.900 -0.748 0.000 1.128 249 G CA 0.465 44.974 45.100 -0.986 0.000 0.784 249 G HN 0.318 nan 8.290 nan 0.000 0.542 250 L N -0.402 120.477 121.223 -0.574 0.000 2.470 250 L HA 0.315 4.654 4.340 -0.001 0.000 0.219 250 L C 1.798 178.576 176.870 -0.154 0.000 1.071 250 L CA 1.162 55.821 54.840 -0.302 0.000 0.850 250 L CB 0.494 42.401 42.059 -0.254 0.000 1.040 250 L HN 0.154 nan 8.230 nan 0.000 0.475 251 D N -2.141 118.186 120.400 -0.122 0.000 2.597 251 D HA -0.053 4.586 4.640 -0.001 0.000 0.261 251 D C 1.876 178.178 176.300 0.003 0.000 1.023 251 D CA 1.087 55.063 54.000 -0.040 0.000 0.927 251 D CB 0.488 41.286 40.800 -0.003 0.000 1.168 251 D HN 0.088 nan 8.370 nan 0.000 0.491 252 T N -0.161 114.401 114.554 0.012 0.000 2.674 252 T HA -0.111 4.238 4.350 -0.001 0.000 0.265 252 T C 2.093 176.858 174.700 0.108 0.000 1.039 252 T CA 1.443 63.580 62.100 0.061 0.000 1.150 252 T CB -0.632 68.272 68.868 0.060 0.000 0.864 252 T HN -0.034 nan 8.240 nan 0.000 0.427 253 V N 1.483 121.453 119.914 0.093 0.000 2.427 253 V HA -0.145 3.975 4.120 -0.001 0.000 0.248 253 V C 2.773 178.978 176.094 0.185 0.000 1.051 253 V CA 0.991 63.393 62.300 0.169 0.000 1.048 253 V CB -0.924 30.975 31.823 0.127 0.000 0.666 253 V HN 0.304 nan 8.190 nan 0.000 0.456 254 V N 0.999 120.966 119.914 0.089 0.000 2.231 254 V HA -0.339 3.780 4.120 -0.001 0.000 0.250 254 V C 2.318 178.440 176.094 0.046 0.000 1.058 254 V CA 2.576 64.909 62.300 0.054 0.000 1.022 254 V CB -0.820 31.001 31.823 -0.004 0.000 0.640 254 V HN 0.623 nan 8.190 nan 0.000 0.445 255 N N -0.865 117.851 118.700 0.026 0.000 2.270 255 N HA -0.124 4.615 4.740 -0.001 0.000 0.181 255 N C 1.779 177.252 175.510 -0.062 0.000 1.016 255 N CA 1.494 54.488 53.050 -0.092 0.000 0.870 255 N CB -0.322 38.126 38.487 -0.065 0.000 0.979 255 N HN 0.563 nan 8.380 nan 0.000 0.431 256 F N 2.240 122.225 119.950 0.059 0.000 2.171 256 F HA -0.053 4.473 4.527 -0.002 0.000 0.300 256 F C 2.138 178.000 175.800 0.103 0.000 1.090 256 F CA 0.915 59.008 58.000 0.155 0.000 1.293 256 F CB -0.195 38.871 39.000 0.111 0.000 1.013 256 F HN -0.095 nan 8.300 nan 0.000 0.486 257 L N -0.657 120.644 121.223 0.130 0.000 2.079 257 L HA -0.261 4.078 4.340 -0.001 0.000 0.210 257 L C 2.546 179.409 176.870 -0.012 0.000 1.081 257 L CA 1.486 56.400 54.840 0.122 0.000 0.752 257 L CB -0.954 41.328 42.059 0.371 0.000 0.896 257 L HN 0.102 nan 8.230 nan 0.000 0.433 258 S N -0.517 115.169 115.700 -0.024 0.000 2.368 258 S HA -0.118 4.351 4.470 -0.001 0.000 0.224 258 S C 1.773 176.138 174.600 -0.391 0.000 1.029 258 S CA 1.169 59.291 58.200 -0.130 0.000 0.988 258 S CB -0.299 62.788 63.200 -0.188 0.000 0.838 258 S HN 0.209 nan 8.310 nan 0.000 0.462 259 F N 2.172 121.859 119.950 -0.437 0.000 2.126 259 F HA -0.092 4.434 4.527 -0.001 0.000 0.299 259 F C 2.778 177.992 175.800 -0.977 0.000 1.096 259 F CA 0.837 58.428 58.000 -0.682 0.000 1.255 259 F CB -1.055 37.552 39.000 -0.656 0.000 0.997 259 F HN 0.105 nan 8.300 nan 0.000 0.479 260 S N -0.458 114.801 115.700 -0.735 0.000 2.368 260 S HA -0.215 4.254 4.470 -0.001 0.000 0.224 260 S C 1.997 176.370 174.600 -0.379 0.000 1.029 260 S CA 1.340 59.170 58.200 -0.618 0.000 0.988 260 S CB -0.371 62.521 63.200 -0.513 0.000 0.838 260 S HN 0.256 nan 8.310 nan 0.000 0.462 261 M N 1.765 121.080 119.600 -0.476 0.000 2.254 261 M HA 0.037 4.516 4.480 -0.001 0.000 0.265 261 M C 1.842 177.919 176.300 -0.372 0.000 1.066 261 M CA 1.242 56.190 55.300 -0.586 0.000 1.123 261 M CB -0.395 31.375 32.600 -1.382 0.000 1.388 261 M HN 0.314 nan 8.290 nan 0.000 0.425 262 E N -0.913 119.088 120.200 -0.330 0.000 2.051 262 E HA -0.259 4.091 4.350 -0.001 0.000 0.192 262 E C 1.951 178.471 176.600 -0.134 0.000 0.991 262 E CA 1.607 57.901 56.400 -0.177 0.000 0.799 262 E CB -0.388 29.257 29.700 -0.091 0.000 0.748 262 E HN 0.546 nan 8.360 nan 0.000 0.449 263 F N 1.314 121.072 119.950 -0.320 0.000 2.102 263 F HA -0.181 4.345 4.527 -0.001 0.000 0.298 263 F C 2.003 177.698 175.800 -0.176 0.000 1.105 263 F CA 1.437 59.301 58.000 -0.227 0.000 1.239 263 F CB -0.215 38.613 39.000 -0.287 0.000 0.991 263 F HN -0.001 nan 8.300 nan 0.000 0.474 264 L N 0.185 121.329 121.223 -0.132 0.000 2.083 264 L HA -0.211 4.128 4.340 -0.001 0.000 0.209 264 L C 2.749 179.336 176.870 -0.472 0.000 1.083 264 L CA 1.112 55.824 54.840 -0.212 0.000 0.752 264 L CB -1.161 40.929 42.059 0.052 0.000 0.899 264 L HN 0.300 nan 8.230 nan 0.000 0.433 265 A N -0.253 122.331 122.820 -0.393 0.000 2.125 265 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 265 A C 2.045 179.403 177.584 -0.377 0.000 1.156 265 A CA 1.390 53.134 52.037 -0.488 0.000 0.671 265 A CB -0.211 18.737 19.000 -0.086 0.000 0.794 265 A HN 0.348 nan 8.150 nan 0.000 0.459 266 K N -0.363 119.812 120.400 -0.375 0.000 2.387 266 K HA 0.203 4.522 4.320 -0.001 0.000 0.203 266 K C -0.485 175.880 176.600 -0.391 0.000 1.030 266 K CA 0.161 56.257 56.287 -0.318 0.000 1.099 266 K CB 0.759 33.110 32.500 -0.249 0.000 0.863 266 K HN 0.234 nan 8.250 nan 0.000 0.529 267 S N 1.502 116.909 115.700 -0.489 0.000 2.158 267 S HA 0.207 4.676 4.470 -0.001 0.000 0.160 267 S C -2.368 172.111 174.600 -0.201 0.000 1.693 267 S CA -0.979 56.988 58.200 -0.389 0.000 1.251 267 S CB 1.257 64.016 63.200 -0.735 0.000 1.153 267 S HN -0.054 nan 8.310 nan 0.000 0.439 268 P HA -0.176 nan 4.420 nan 0.000 0.216 268 P C 1.318 178.591 177.300 -0.045 0.000 1.153 268 P CA 1.253 64.284 63.100 -0.115 0.000 0.858 268 P CB 0.186 31.829 31.700 -0.096 0.000 0.789 269 E N -1.491 118.687 120.200 -0.037 0.000 2.085 269 E HA -0.232 4.117 4.350 -0.001 0.000 0.194 269 E C 1.930 178.504 176.600 -0.043 0.000 0.994 269 E CA 1.256 57.623 56.400 -0.054 0.000 0.801 269 E CB -0.711 28.927 29.700 -0.104 0.000 0.743 269 E HN 0.499 nan 8.360 nan 0.000 0.453 270 H N 0.254 119.329 119.070 0.009 0.000 2.428 270 H HA 0.062 4.617 4.556 -0.001 0.000 0.296 270 H C 2.145 177.641 175.328 0.279 0.000 1.062 270 H CA 1.010 57.159 56.048 0.170 0.000 1.350 270 H CB 0.148 30.014 29.762 0.174 0.000 1.403 270 H HN 0.011 nan 8.280 nan 0.000 0.533 271 R N 0.372 121.006 120.500 0.224 0.000 2.066 271 R HA -0.166 4.173 4.340 -0.001 0.000 0.232 271 R C 2.314 178.698 176.300 0.139 0.000 1.131 271 R CA 1.514 57.711 56.100 0.162 0.000 0.955 271 R CB -0.250 30.064 30.300 0.024 0.000 0.851 271 R HN 0.491 nan 8.270 nan 0.000 0.432 272 Q N 1.416 121.269 119.800 0.089 0.000 2.135 272 Q HA -0.235 4.104 4.340 -0.001 0.000 0.204 272 Q C 1.948 177.998 176.000 0.084 0.000 0.981 272 Q CA 1.878 57.720 55.803 0.065 0.000 0.856 272 Q CB -0.071 28.686 28.738 0.031 0.000 0.902 272 Q HN 0.403 nan 8.270 nan 0.000 0.425 273 E N 0.295 120.565 120.200 0.117 0.000 2.085 273 E HA -0.198 4.152 4.350 -0.001 0.000 0.194 273 E C 2.040 178.722 176.600 0.137 0.000 0.994 273 E CA 1.422 57.905 56.400 0.138 0.000 0.801 273 E CB -0.108 29.718 29.700 0.210 0.000 0.743 273 E HN 0.537 nan 8.360 nan 0.000 0.453 274 L N 0.360 121.674 121.223 0.152 0.000 2.179 274 L HA -0.052 4.287 4.340 -0.001 0.000 0.208 274 L C 2.477 179.386 176.870 0.065 0.000 1.096 274 L CA 0.402 55.288 54.840 0.076 0.000 0.779 274 L CB -0.248 41.839 42.059 0.047 0.000 0.922 274 L HN 0.221 nan 8.230 nan 0.000 0.443 275 I N 0.109 120.726 120.570 0.078 0.000 2.252 275 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 275 I C 2.332 178.475 176.117 0.045 0.000 1.102 275 I CA 1.415 62.751 61.300 0.059 0.000 1.385 275 I CB -0.133 37.903 38.000 0.060 0.000 1.064 275 I HN 0.281 nan 8.210 nan 0.000 0.414 276 E N 0.560 120.788 120.200 0.047 0.000 2.158 276 E HA -0.033 4.316 4.350 -0.001 0.000 0.191 276 E C 0.632 177.254 176.600 0.036 0.000 0.982 276 E CA 0.636 57.059 56.400 0.038 0.000 0.823 276 E CB 0.190 29.912 29.700 0.037 0.000 0.766 276 E HN 0.366 nan 8.360 nan 0.000 0.468 277 R N 1.162 121.687 120.500 0.043 0.000 2.748 277 R HA 0.146 4.486 4.340 -0.001 0.000 0.283 277 R C -2.147 174.171 176.300 0.030 0.000 1.507 277 R CA -1.193 54.930 56.100 0.037 0.000 1.666 277 R CB 0.844 31.171 30.300 0.045 0.000 1.237 277 R HN 0.069 nan 8.270 nan 0.000 0.633 278 P HA -0.240 nan 4.420 nan 0.000 0.220 278 P C 0.932 178.240 177.300 0.013 0.000 1.144 278 P CA 1.341 64.453 63.100 0.019 0.000 0.800 278 P CB 0.321 32.034 31.700 0.022 0.000 0.772 279 E N 0.921 121.132 120.200 0.017 0.000 2.472 279 E HA -0.150 4.200 4.350 -0.001 0.000 0.200 279 E C 1.406 178.013 176.600 0.012 0.000 1.046 279 E CA 0.604 57.014 56.400 0.017 0.000 0.871 279 E CB -0.552 29.160 29.700 0.021 0.000 0.806 279 E HN 0.343 nan 8.360 nan 0.000 0.533 280 R N 0.214 120.715 120.500 0.002 0.000 2.317 280 R HA 0.317 4.656 4.340 -0.001 0.000 0.208 280 R C 2.181 178.434 176.300 -0.079 0.000 0.914 280 R CA -0.058 56.034 56.100 -0.013 0.000 1.060 280 R CB 0.002 30.308 30.300 0.010 0.000 1.015 280 R HN 0.175 nan 8.270 nan 0.000 0.498 281 I N 1.672 122.203 120.570 -0.064 0.000 2.226 281 I HA -0.189 3.980 4.170 -0.001 0.000 0.245 281 I C -0.761 175.320 176.117 -0.061 0.000 1.100 281 I CA 1.414 62.660 61.300 -0.089 0.000 1.374 281 I CB -0.935 37.048 38.000 -0.028 0.000 1.057 281 I HN 0.026 nan 8.210 nan 0.000 0.413 282 P HA -0.142 nan 4.420 nan 0.000 0.216 282 P C 1.501 178.815 177.300 0.023 0.000 1.153 282 P CA 1.696 64.810 63.100 0.024 0.000 0.848 282 P CB -0.003 31.720 31.700 0.038 0.000 0.787 283 A N -0.020 122.806 122.820 0.010 0.000 1.933 283 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 283 A C 2.288 179.884 177.584 0.019 0.000 1.175 283 A CA 1.968 54.027 52.037 0.037 0.000 0.628 283 A CB -1.577 17.453 19.000 0.051 0.000 0.814 283 A HN 0.188 nan 8.150 nan 0.000 0.444 284 A N -1.047 121.685 122.820 -0.146 0.000 1.969 284 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 284 A C 2.357 179.893 177.584 -0.080 0.000 1.169 284 A CA 1.573 53.371 52.037 -0.399 0.000 0.635 284 A CB -1.376 16.913 19.000 -1.186 0.000 0.810 284 A HN 0.886 nan 8.150 nan 0.000 0.445 285 C N -0.375 118.919 119.300 -0.009 0.000 2.429 285 C HA -0.098 4.361 4.460 -0.001 0.000 0.277 285 C C 2.538 177.606 174.990 0.130 0.000 1.262 285 C CA 1.620 60.702 59.018 0.105 0.000 1.733 285 C CB -1.052 26.751 27.740 0.105 0.000 2.010 285 C HN 0.615 nan 8.230 nan 0.000 0.483 286 E N 0.696 120.964 120.200 0.114 0.000 2.051 286 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 286 E C 1.994 178.668 176.600 0.124 0.000 0.991 286 E CA 1.758 58.237 56.400 0.131 0.000 0.799 286 E CB -0.733 29.066 29.700 0.164 0.000 0.748 286 E HN 0.815 nan 8.360 nan 0.000 0.449 287 E N 0.964 121.264 120.200 0.165 0.000 2.110 287 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 287 E C 2.152 178.826 176.600 0.123 0.000 0.988 287 E CA 0.823 57.322 56.400 0.166 0.000 0.804 287 E CB -0.316 29.556 29.700 0.287 0.000 0.745 287 E HN 0.193 nan 8.360 nan 0.000 0.458 288 L N -0.173 121.183 121.223 0.222 0.000 2.141 288 L HA -0.092 4.247 4.340 -0.001 0.000 0.209 288 L C 2.432 179.542 176.870 0.401 0.000 1.094 288 L CA 0.669 55.696 54.840 0.311 0.000 0.763 288 L CB -0.295 42.000 42.059 0.393 0.000 0.908 288 L HN 0.212 nan 8.230 nan 0.000 0.437 289 L N -0.561 120.786 121.223 0.206 0.000 2.141 289 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 289 L C 2.822 179.522 176.870 -0.283 0.000 1.094 289 L CA 1.014 55.761 54.840 -0.156 0.000 0.763 289 L CB -0.373 41.380 42.059 -0.510 0.000 0.908 289 L HN 0.263 nan 8.230 nan 0.000 0.437 290 R N 0.195 120.562 120.500 -0.220 0.000 2.055 290 R HA -0.167 4.173 4.340 -0.001 0.000 0.226 290 R C 2.466 178.632 176.300 -0.224 0.000 1.135 290 R CA 1.140 57.117 56.100 -0.205 0.000 0.959 290 R CB -0.088 30.188 30.300 -0.040 0.000 0.854 290 R HN 0.041 nan 8.270 nan 0.000 0.431 291 R N 0.089 120.420 120.500 -0.283 0.000 2.096 291 R HA -0.088 4.251 4.340 -0.001 0.000 0.235 291 R C 0.523 176.308 176.300 -0.858 0.000 1.127 291 R CA 1.620 57.354 56.100 -0.610 0.000 0.968 291 R CB -0.254 29.525 30.300 -0.868 0.000 0.861 291 R HN 0.278 nan 8.270 nan 0.000 0.440 292 F N 0.141 119.992 119.950 -0.164 0.000 2.908 292 F HA 0.400 4.926 4.527 -0.001 0.000 0.328 292 F C 0.397 176.094 175.800 -0.173 0.000 1.211 292 F CA -0.556 57.291 58.000 -0.254 0.000 1.291 292 F CB 0.296 39.115 39.000 -0.301 0.000 0.962 292 F HN -0.129 nan 8.300 nan 0.000 0.505 293 S N 1.746 117.367 115.700 -0.133 0.000 2.559 293 S HA 0.173 4.642 4.470 -0.001 0.000 0.282 293 S C 0.915 175.370 174.600 -0.242 0.000 1.336 293 S CA 0.061 58.139 58.200 -0.202 0.000 1.037 293 S CB 0.494 63.529 63.200 -0.274 0.000 0.853 293 S HN 0.576 nan 8.310 nan 0.000 0.523 294 L N 1.900 122.997 121.223 -0.209 0.000 3.515 294 L HA 0.562 4.901 4.340 -0.001 0.000 0.322 294 L C -0.808 175.918 176.870 -0.239 0.000 1.225 294 L CA -0.545 54.167 54.840 -0.213 0.000 1.104 294 L CB 0.169 42.256 42.059 0.046 0.000 1.506 294 L HN 0.329 nan 8.230 nan 0.000 0.624 295 V N 1.858 121.620 119.914 -0.252 0.000 2.612 295 V HA 0.861 4.981 4.120 -0.001 0.000 0.301 295 V C 0.243 176.148 176.094 -0.315 0.000 1.046 295 V CA 0.081 62.241 62.300 -0.233 0.000 0.946 295 V CB 1.477 33.212 31.823 -0.146 0.000 1.003 295 V HN 0.356 nan 8.190 nan 0.000 0.459 296 A N 3.302 125.932 122.820 -0.316 0.000 2.579 296 A HA 0.650 4.969 4.320 -0.001 0.000 0.288 296 A C -0.845 176.578 177.584 -0.268 0.000 1.079 296 A CA -0.641 51.225 52.037 -0.285 0.000 0.889 296 A CB 0.728 19.448 19.000 -0.467 0.000 1.439 296 A HN 0.845 nan 8.150 nan 0.000 0.399 297 D N 1.339 121.622 120.400 -0.194 0.000 2.784 297 D HA 0.861 5.500 4.640 -0.001 0.000 0.256 297 D C 0.459 176.703 176.300 -0.093 0.000 1.129 297 D CA 0.085 53.916 54.000 -0.281 0.000 1.102 297 D CB 1.218 41.807 40.800 -0.351 0.000 1.330 297 D HN 0.951 nan 8.370 nan 0.000 0.626 298 G N -1.670 107.081 108.800 -0.081 0.000 2.772 298 G HA2 0.562 4.521 3.960 -0.001 0.000 0.284 298 G HA3 0.562 4.521 3.960 -0.001 0.000 0.284 298 G C -0.998 173.886 174.900 -0.027 0.000 1.217 298 G CA -0.679 44.387 45.100 -0.057 0.000 0.831 298 G HN 0.437 nan 8.290 nan 0.000 0.523 299 R N -1.291 119.196 120.500 -0.021 0.000 2.885 299 R HA 0.677 5.016 4.340 -0.001 0.000 0.260 299 R C -1.419 174.953 176.300 0.119 0.000 1.107 299 R CA -0.766 55.370 56.100 0.060 0.000 0.978 299 R CB 1.590 31.957 30.300 0.111 0.000 1.227 299 R HN 0.588 nan 8.270 nan 0.000 0.473 300 I N 1.365 122.023 120.570 0.147 0.000 2.582 300 I HA 0.258 4.427 4.170 -0.001 0.000 0.292 300 I C -0.812 175.379 176.117 0.124 0.000 1.066 300 I CA -1.010 60.379 61.300 0.149 0.000 1.053 300 I CB 1.471 39.533 38.000 0.103 0.000 1.241 300 I HN 0.227 nan 8.210 nan 0.000 0.421 301 L N 6.499 127.794 121.223 0.120 0.000 2.462 301 L HA 0.088 4.427 4.340 -0.001 0.000 0.272 301 L C 1.616 178.483 176.870 -0.005 0.000 1.166 301 L CA 0.531 55.368 54.840 -0.005 0.000 0.880 301 L CB 0.796 42.884 42.059 0.048 0.000 1.142 301 L HN 0.791 nan 8.230 nan 0.000 0.473 302 T N -1.629 112.885 114.554 -0.067 0.000 3.113 302 T HA 0.096 4.445 4.350 -0.001 0.000 0.256 302 T C 0.676 175.354 174.700 -0.037 0.000 1.131 302 T CA 0.392 62.465 62.100 -0.046 0.000 1.074 302 T CB 0.080 68.900 68.868 -0.081 0.000 0.944 302 T HN 0.671 nan 8.240 nan 0.000 0.516 303 S N -0.490 115.196 115.700 -0.022 0.000 2.645 303 S HA 0.330 4.799 4.470 -0.001 0.000 0.268 303 S C -2.089 172.543 174.600 0.052 0.000 1.110 303 S CA -1.236 56.970 58.200 0.010 0.000 0.823 303 S CB 0.653 63.850 63.200 -0.006 0.000 1.091 303 S HN 0.122 nan 8.310 nan 0.000 0.466 304 D N 0.932 121.370 120.400 0.064 0.000 2.443 304 D HA 0.432 5.071 4.640 -0.001 0.000 0.239 304 D C -0.767 175.632 176.300 0.165 0.000 1.136 304 D CA 1.007 55.060 54.000 0.089 0.000 0.879 304 D CB 0.294 41.131 40.800 0.062 0.000 1.195 304 D HN 0.559 nan 8.370 nan 0.000 0.443 305 Y N 0.241 120.509 120.300 -0.052 0.000 2.474 305 Y HA 0.135 4.684 4.550 -0.001 0.000 0.326 305 Y C -1.312 174.536 175.900 -0.086 0.000 1.160 305 Y CA -0.954 57.073 58.100 -0.122 0.000 1.056 305 Y CB 1.241 39.523 38.460 -0.298 0.000 1.330 305 Y HN 0.323 nan 8.280 nan 0.000 0.447 306 E N 5.887 125.810 120.200 -0.462 0.000 2.115 306 E HA 0.322 4.671 4.350 -0.001 0.000 0.282 306 E C -1.845 174.320 176.600 -0.725 0.000 0.987 306 E CA -0.522 55.621 56.400 -0.427 0.000 0.797 306 E CB 0.565 30.118 29.700 -0.245 0.000 1.086 306 E HN 0.453 nan 8.360 nan 0.000 0.397 307 F N 5.478 125.027 119.950 -0.668 0.000 2.375 307 F HA 0.236 4.762 4.527 -0.001 0.000 0.361 307 F C -0.319 175.321 175.800 -0.265 0.000 1.117 307 F CA -0.572 57.098 58.000 -0.549 0.000 1.037 307 F CB 0.338 39.186 39.000 -0.253 0.000 1.192 307 F HN 0.613 nan 8.300 nan 0.000 0.452 308 H N 3.881 122.591 119.070 -0.600 0.000 2.677 308 H HA -0.175 4.380 4.556 -0.002 0.000 0.321 308 H C 1.386 176.559 175.328 -0.258 0.000 1.171 308 H CA 0.880 56.655 56.048 -0.455 0.000 1.139 308 H CB -1.119 28.309 29.762 -0.557 0.000 1.515 308 H HN 1.128 nan 8.280 nan 0.000 0.423 309 G N -0.871 107.837 108.800 -0.153 0.000 2.179 309 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.257 309 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.257 309 G C 0.177 175.037 174.900 -0.067 0.000 1.010 309 G CA 0.378 45.425 45.100 -0.088 0.000 0.736 309 G HN 0.553 nan 8.290 nan 0.000 0.513 310 V N 0.737 120.584 119.914 -0.112 0.000 2.531 310 V HA 0.448 4.567 4.120 -0.001 0.000 0.301 310 V C -0.126 175.875 176.094 -0.156 0.000 1.034 310 V CA -1.186 61.037 62.300 -0.127 0.000 0.865 310 V CB 1.950 33.640 31.823 -0.221 0.000 0.995 310 V HN 0.265 nan 8.190 nan 0.000 0.424 311 Q N 4.809 124.571 119.800 -0.063 0.000 2.307 311 Q HA 0.442 4.781 4.340 -0.001 0.000 0.261 311 Q C -0.792 175.252 176.000 0.073 0.000 1.051 311 Q CA 0.124 55.930 55.803 0.005 0.000 0.911 311 Q CB 1.204 29.994 28.738 0.086 0.000 1.227 311 Q HN 0.583 nan 8.270 nan 0.000 0.418 312 L N 2.332 123.564 121.223 0.015 0.000 2.282 312 L HA 0.431 4.770 4.340 -0.001 0.000 0.288 312 L C 0.245 177.237 176.870 0.202 0.000 1.033 312 L CA -0.928 53.981 54.840 0.115 0.000 0.807 312 L CB 0.982 43.014 42.059 -0.046 0.000 1.209 312 L HN 0.244 nan 8.230 nan 0.000 0.423 313 K N 3.109 123.685 120.400 0.293 0.000 2.118 313 K HA 0.211 4.530 4.320 -0.001 0.000 0.267 313 K C -0.272 176.395 176.600 0.111 0.000 0.991 313 K CA -0.492 55.841 56.287 0.077 0.000 0.916 313 K CB 1.041 33.384 32.500 -0.263 0.000 1.041 313 K HN 0.371 nan 8.250 nan 0.000 0.455 314 K N 1.957 122.391 120.400 0.056 0.000 2.484 314 K HA 0.079 4.398 4.320 -0.001 0.000 0.280 314 K C 0.469 177.115 176.600 0.077 0.000 1.013 314 K CA 1.447 57.768 56.287 0.057 0.000 1.029 314 K CB -0.106 32.412 32.500 0.029 0.000 0.902 314 K HN 0.803 nan 8.250 nan 0.000 0.481 315 G N 2.953 111.813 108.800 0.099 0.000 2.213 315 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.236 315 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.236 315 G C -0.277 174.738 174.900 0.191 0.000 0.991 315 G CA 0.133 45.303 45.100 0.117 0.000 0.629 315 G HN 0.719 nan 8.290 nan 0.000 0.517 316 D N 1.361 121.925 120.400 0.273 0.000 2.423 316 D HA 0.431 5.070 4.640 -0.001 0.000 0.238 316 D C 0.799 177.336 176.300 0.395 0.000 1.142 316 D CA 0.550 54.821 54.000 0.452 0.000 0.884 316 D CB 0.534 41.763 40.800 0.715 0.000 1.199 316 D HN 0.482 nan 8.370 nan 0.000 0.438 317 Q N 0.861 120.893 119.800 0.387 0.000 2.245 317 Q HA 0.605 4.944 4.340 -0.001 0.000 0.256 317 Q C -0.502 175.708 176.000 0.350 0.000 0.942 317 Q CA -0.636 55.325 55.803 0.264 0.000 0.896 317 Q CB 2.534 31.349 28.738 0.127 0.000 1.272 317 Q HN 0.445 nan 8.270 nan 0.000 0.442 318 I N 3.106 123.831 120.570 0.258 0.000 2.478 318 I HA 0.249 4.419 4.170 -0.001 0.000 0.287 318 I C -1.617 174.536 176.117 0.059 0.000 1.042 318 I CA -1.064 60.386 61.300 0.251 0.000 1.067 318 I CB 1.138 39.269 38.000 0.219 0.000 1.233 318 I HN 0.492 nan 8.210 nan 0.000 0.431 319 L N 8.469 129.738 121.223 0.077 0.000 2.319 319 L HA 0.422 4.761 4.340 -0.001 0.000 0.280 319 L C -1.122 175.744 176.870 -0.006 0.000 1.099 319 L CA 0.225 55.060 54.840 -0.008 0.000 0.828 319 L CB 0.808 42.882 42.059 0.024 0.000 1.150 319 L HN 0.534 nan 8.230 nan 0.000 0.442 320 L N 7.731 128.914 121.223 -0.066 0.000 2.435 320 L HA 0.398 4.737 4.340 -0.001 0.000 0.253 320 L C -2.173 174.747 176.870 0.084 0.000 1.087 320 L CA -1.760 53.022 54.840 -0.097 0.000 0.950 320 L CB 0.882 42.638 42.059 -0.505 0.000 1.304 320 L HN 0.481 nan 8.230 nan 0.000 0.453 321 P HA 0.004 nan 4.420 nan 0.000 0.259 321 P C 0.209 177.502 177.300 -0.012 0.000 1.211 321 P CA 0.193 63.295 63.100 0.003 0.000 0.810 321 P CB 0.705 32.437 31.700 0.053 0.000 0.815 322 Q N 2.560 122.339 119.800 -0.036 0.000 2.291 322 Q HA -0.142 4.197 4.340 -0.001 0.000 0.206 322 Q C 1.862 177.780 176.000 -0.137 0.000 0.976 322 Q CA 1.345 57.112 55.803 -0.060 0.000 0.875 322 Q CB -0.431 28.233 28.738 -0.123 0.000 0.927 322 Q HN 0.533 nan 8.270 nan 0.000 0.450 323 M N -0.308 119.154 119.600 -0.230 0.000 2.159 323 M HA -0.163 4.316 4.480 -0.001 0.000 0.263 323 M C 1.372 177.552 176.300 -0.201 0.000 1.063 323 M CA 1.492 56.618 55.300 -0.289 0.000 1.110 323 M CB 0.048 32.349 32.600 -0.499 0.000 1.374 323 M HN 0.290 nan 8.290 nan 0.000 0.411 324 L N -0.601 120.539 121.223 -0.138 0.000 2.217 324 L HA -0.125 4.214 4.340 -0.001 0.000 0.211 324 L C 2.387 179.212 176.870 -0.076 0.000 1.107 324 L CA 0.545 55.334 54.840 -0.085 0.000 0.783 324 L CB -0.579 41.454 42.059 -0.043 0.000 0.919 324 L HN 0.301 nan 8.230 nan 0.000 0.442 325 S N 0.534 116.196 115.700 -0.063 0.000 2.359 325 S HA -0.187 4.282 4.470 -0.001 0.000 0.223 325 S C 1.974 176.543 174.600 -0.051 0.000 1.039 325 S CA 1.623 59.791 58.200 -0.054 0.000 1.042 325 S CB -0.655 62.519 63.200 -0.044 0.000 0.915 325 S HN 0.615 nan 8.310 nan 0.000 0.439 326 G N 0.612 109.386 108.800 -0.044 0.000 2.572 326 G HA2 0.048 4.007 3.960 -0.001 0.000 0.216 326 G HA3 0.048 4.007 3.960 -0.001 0.000 0.216 326 G C 1.154 176.011 174.900 -0.072 0.000 1.133 326 G CA 0.163 45.243 45.100 -0.032 0.000 0.791 326 G HN 0.446 nan 8.290 nan 0.000 0.538 327 L N 0.122 121.289 121.223 -0.093 0.000 2.509 327 L HA 0.163 4.502 4.340 -0.001 0.000 0.222 327 L C 0.623 177.448 176.870 -0.075 0.000 1.123 327 L CA -0.229 54.551 54.840 -0.100 0.000 0.856 327 L CB 0.014 42.006 42.059 -0.113 0.000 0.985 327 L HN 0.016 nan 8.230 nan 0.000 0.456 328 D N 1.897 122.255 120.400 -0.070 0.000 2.382 328 D HA -0.067 4.572 4.640 -0.001 0.000 0.259 328 D C 1.071 177.336 176.300 -0.057 0.000 1.224 328 D CA 0.040 54.000 54.000 -0.066 0.000 0.894 328 D CB 0.902 41.660 40.800 -0.070 0.000 1.127 328 D HN 0.367 nan 8.370 nan 0.000 0.487 329 E N 2.864 123.032 120.200 -0.053 0.000 2.512 329 E HA -0.056 4.293 4.350 -0.001 0.000 0.195 329 E C 0.955 177.527 176.600 -0.046 0.000 1.083 329 E CA 0.136 56.509 56.400 -0.046 0.000 0.873 329 E CB 0.079 29.755 29.700 -0.040 0.000 0.897 329 E HN 0.400 nan 8.360 nan 0.000 0.514 330 R N 0.429 120.898 120.500 -0.051 0.000 2.297 330 R HA 0.093 4.432 4.340 -0.001 0.000 0.197 330 R C 1.367 177.639 176.300 -0.047 0.000 0.943 330 R CA 0.526 56.596 56.100 -0.051 0.000 1.038 330 R CB 0.272 30.537 30.300 -0.060 0.000 0.957 330 R HN 0.269 nan 8.270 nan 0.000 0.484 331 E N -0.498 119.674 120.200 -0.047 0.000 2.367 331 E HA 0.138 4.487 4.350 -0.001 0.000 0.204 331 E C -0.288 176.291 176.600 -0.036 0.000 0.840 331 E CA 0.136 56.511 56.400 -0.043 0.000 1.051 331 E CB 0.749 30.420 29.700 -0.048 0.000 1.051 331 E HN 0.118 nan 8.360 nan 0.000 0.509 332 N N 0.824 119.502 118.700 -0.037 0.000 2.519 332 N HA 0.279 5.018 4.740 -0.001 0.000 0.286 332 N C -1.100 174.388 175.510 -0.038 0.000 1.079 332 N CA -0.141 52.890 53.050 -0.033 0.000 0.878 332 N CB 1.951 40.420 38.487 -0.029 0.000 1.375 332 N HN 0.005 nan 8.380 nan 0.000 0.514 333 A N 1.600 124.396 122.820 -0.040 0.000 2.540 333 A HA 0.435 4.754 4.320 -0.001 0.000 0.239 333 A C 1.055 178.601 177.584 -0.063 0.000 1.061 333 A CA 0.536 52.542 52.037 -0.051 0.000 0.758 333 A CB -0.168 18.800 19.000 -0.054 0.000 0.991 333 A HN 1.228 nan 8.150 nan 0.000 0.502 334 A N 3.166 125.943 122.820 -0.073 0.000 2.362 334 A HA -0.092 4.227 4.320 -0.001 0.000 0.290 334 A C -0.504 177.091 177.584 0.018 0.000 1.441 334 A CA 0.606 52.597 52.037 -0.077 0.000 0.743 334 A CB -1.488 17.321 19.000 -0.319 0.000 1.125 334 A HN 0.834 nan 8.150 nan 0.000 0.378 335 P HA -0.194 nan 4.420 nan 0.000 0.218 335 P C 1.222 178.492 177.300 -0.049 0.000 1.148 335 P CA 1.390 64.472 63.100 -0.030 0.000 0.822 335 P CB -0.062 31.610 31.700 -0.048 0.000 0.784 336 M N -1.647 117.958 119.600 0.009 0.000 2.595 336 M HA 0.074 4.553 4.480 -0.001 0.000 0.248 336 M C 0.335 176.574 176.300 -0.102 0.000 1.119 336 M CA 0.384 55.638 55.300 -0.077 0.000 1.079 336 M CB -1.640 30.921 32.600 -0.064 0.000 1.472 336 M HN 0.015 nan 8.290 nan 0.000 0.501 337 H N -0.465 118.546 119.070 -0.099 0.000 2.502 337 H HA 0.372 4.927 4.556 -0.001 0.000 0.327 337 H C -0.372 174.888 175.328 -0.115 0.000 1.099 337 H CA -0.371 55.638 56.048 -0.064 0.000 1.323 337 H CB 1.019 30.766 29.762 -0.024 0.000 1.450 337 H HN -0.203 nan 8.280 nan 0.000 0.502 338 V N 3.559 123.446 119.914 -0.046 0.000 2.385 338 V HA 0.100 4.220 4.120 -0.001 0.000 0.269 338 V C -0.043 176.046 176.094 -0.009 0.000 1.043 338 V CA -0.183 62.005 62.300 -0.187 0.000 0.906 338 V CB 0.887 32.337 31.823 -0.623 0.000 0.995 338 V HN 0.771 nan 8.190 nan 0.000 0.467 339 D N 4.467 124.859 120.400 -0.013 0.000 2.440 339 D HA 0.314 4.954 4.640 -0.001 0.000 0.252 339 D C 0.463 176.838 176.300 0.126 0.000 1.180 339 D CA -0.569 53.446 54.000 0.025 0.000 0.894 339 D CB 0.961 41.788 40.800 0.045 0.000 1.111 339 D HN 0.234 nan 8.370 nan 0.000 0.544 340 F N 1.366 121.411 119.950 0.157 0.000 2.494 340 F HA -0.041 4.485 4.527 -0.001 0.000 0.298 340 F C 2.150 177.999 175.800 0.081 0.000 1.106 340 F CA 0.487 58.561 58.000 0.124 0.000 1.452 340 F CB -0.456 38.631 39.000 0.145 0.000 1.085 340 F HN 0.274 nan 8.300 nan 0.000 0.569 341 S N -1.235 114.599 115.700 0.225 0.000 2.540 341 S HA 0.070 4.539 4.470 -0.001 0.000 0.218 341 S C 0.859 175.518 174.600 0.099 0.000 0.977 341 S CA -0.565 57.718 58.200 0.138 0.000 0.918 341 S CB -0.128 63.130 63.200 0.095 0.000 0.806 341 S HN 0.183 nan 8.310 nan 0.000 0.496 342 R N 3.179 123.741 120.500 0.103 0.000 2.486 342 R HA -0.118 4.221 4.340 -0.001 0.000 0.304 342 R C 1.888 178.224 176.300 0.060 0.000 0.913 342 R CA 0.290 56.430 56.100 0.068 0.000 1.124 342 R CB 0.304 30.647 30.300 0.070 0.000 0.891 342 R HN 0.487 nan 8.270 nan 0.000 0.410 343 Q N 4.188 124.012 119.800 0.039 0.000 2.002 343 Q HA -0.234 4.105 4.340 -0.001 0.000 0.204 343 Q C -0.018 176.000 176.000 0.030 0.000 0.988 343 Q CA 1.647 57.469 55.803 0.032 0.000 0.843 343 Q CB 0.003 28.753 28.738 0.019 0.000 0.908 343 Q HN 0.512 nan 8.270 nan 0.000 0.420 344 K N 1.227 121.640 120.400 0.022 0.000 2.530 344 K HA 0.330 4.649 4.320 -0.001 0.000 0.230 344 K C -1.525 175.084 176.600 0.016 0.000 1.002 344 K CA -0.395 55.901 56.287 0.014 0.000 1.014 344 K CB 1.628 34.130 32.500 0.002 0.000 1.286 344 K HN 0.040 nan 8.250 nan 0.000 0.480 345 V N 3.203 123.137 119.914 0.034 0.000 2.359 345 V HA 0.018 4.137 4.120 -0.001 0.000 0.248 345 V C 0.333 176.436 176.094 0.014 0.000 1.091 345 V CA -0.080 62.254 62.300 0.057 0.000 1.103 345 V CB 0.296 32.188 31.823 0.114 0.000 1.176 345 V HN 0.672 nan 8.190 nan 0.000 0.488 346 S N 5.069 120.765 115.700 -0.006 0.000 2.499 346 S HA 0.670 5.139 4.470 -0.001 0.000 0.279 346 S C -0.471 174.125 174.600 -0.008 0.000 1.219 346 S CA -0.379 57.784 58.200 -0.063 0.000 1.062 346 S CB 0.299 63.470 63.200 -0.048 0.000 0.978 346 S HN 1.112 nan 8.310 nan 0.000 0.489 347 H N 0.007 119.051 119.070 -0.042 0.000 2.904 347 H HA 0.469 5.024 4.556 -0.001 0.000 0.290 347 H C -0.629 174.664 175.328 -0.060 0.000 1.437 347 H CA -0.297 55.709 56.048 -0.069 0.000 1.147 347 H CB 0.594 30.305 29.762 -0.086 0.000 1.824 347 H HN 0.355 nan 8.280 nan 0.000 0.505 348 T N -2.723 111.964 114.554 0.221 0.000 3.571 348 T HA 0.182 4.531 4.350 -0.001 0.000 0.292 348 T C 0.438 175.185 174.700 0.078 0.000 0.994 348 T CA 0.157 62.343 62.100 0.144 0.000 0.996 348 T CB -0.420 68.452 68.868 0.007 0.000 1.185 348 T HN 0.603 nan 8.240 nan 0.000 0.482 349 T N 1.354 115.945 114.554 0.061 0.000 2.759 349 T HA 0.012 4.361 4.350 -0.001 0.000 0.269 349 T C 0.469 174.946 174.700 -0.372 0.000 1.042 349 T CA 1.375 63.258 62.100 -0.361 0.000 1.140 349 T CB -0.386 67.983 68.868 -0.832 0.000 0.864 349 T HN 0.485 nan 8.240 nan 0.000 0.455 350 F N 1.221 121.150 119.950 -0.036 0.000 2.660 350 F HA 0.469 4.995 4.527 -0.001 0.000 0.297 350 F C 1.562 177.326 175.800 -0.060 0.000 1.132 350 F CA -0.227 57.737 58.000 -0.060 0.000 1.372 350 F CB -0.495 38.474 39.000 -0.051 0.000 1.003 350 F HN 0.303 nan 8.300 nan 0.000 0.524 351 G N 0.062 108.883 108.800 0.035 0.000 2.660 351 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.247 351 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.247 351 G C -1.510 173.377 174.900 -0.023 0.000 1.328 351 G CA -0.701 44.334 45.100 -0.109 0.000 0.884 351 G HN 0.525 nan 8.290 nan 0.000 0.531 352 H N -0.920 117.991 119.070 -0.265 0.000 3.085 352 H HA 0.686 5.242 4.556 -0.001 0.000 0.356 352 H C 0.560 175.891 175.328 0.005 0.000 1.178 352 H CA 1.915 57.908 56.048 -0.092 0.000 1.214 352 H CB 1.263 31.005 29.762 -0.032 0.000 1.881 352 H HN 2.634 nan 8.280 nan 0.000 0.538 353 G N 1.408 109.932 108.800 -0.460 0.000 2.484 353 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.225 353 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.225 353 G C 0.994 175.853 174.900 -0.067 0.000 1.250 353 G CA 0.491 45.476 45.100 -0.193 0.000 0.926 353 G HN 1.348 nan 8.290 nan 0.000 0.581 354 S N -0.739 114.961 115.700 0.000 0.000 2.522 354 S HA 0.069 4.538 4.470 -0.001 0.000 0.227 354 S C 1.226 175.683 174.600 -0.238 0.000 0.986 354 S CA 1.612 59.737 58.200 -0.124 0.000 0.929 354 S CB -0.153 62.922 63.200 -0.209 0.000 0.769 354 S HN 0.710 nan 8.310 nan 0.000 0.529 355 H N 0.416 119.494 119.070 0.012 0.000 2.505 355 H HA 0.355 4.910 4.556 -0.001 0.000 0.286 355 H C -0.111 175.217 175.328 0.000 0.000 1.072 355 H CA -0.676 55.386 56.048 0.023 0.000 1.141 355 H CB 0.023 29.820 29.762 0.058 0.000 1.550 355 H HN 0.264 nan 8.280 nan 0.000 0.547 356 L N 1.822 123.070 121.223 0.042 0.000 2.653 356 L HA -0.133 4.206 4.340 -0.001 0.000 0.288 356 L C 0.794 177.676 176.870 0.020 0.000 1.243 356 L CA 0.323 55.176 54.840 0.022 0.000 0.906 356 L CB -0.360 41.692 42.059 -0.011 0.000 1.154 356 L HN 0.383 nan 8.230 nan 0.000 0.498 357 C N 5.781 125.104 119.300 0.038 0.000 2.378 357 C HA -0.072 4.387 4.460 -0.001 0.000 0.395 357 C C 1.989 176.914 174.990 -0.107 0.000 1.476 357 C CA -0.187 58.835 59.018 0.006 0.000 1.541 357 C CB -1.001 26.779 27.740 0.067 0.000 2.524 357 C HN 0.813 nan 8.230 nan 0.000 0.595 358 L N 4.839 126.033 121.223 -0.049 0.000 2.446 358 L HA 0.180 4.520 4.340 -0.001 0.000 0.219 358 L C 2.309 179.123 176.870 -0.093 0.000 1.116 358 L CA 1.181 55.989 54.840 -0.053 0.000 0.844 358 L CB -0.321 41.749 42.059 0.019 0.000 0.970 358 L HN 0.961 nan 8.230 nan 0.000 0.457 359 G N -0.597 108.138 108.800 -0.109 0.000 3.434 359 G HA2 0.001 3.960 3.960 -0.001 0.000 0.258 359 G HA3 0.001 3.960 3.960 -0.001 0.000 0.258 359 G C 1.254 175.999 174.900 -0.260 0.000 1.128 359 G CA -0.162 44.875 45.100 -0.104 0.000 0.792 359 G HN 0.474 nan 8.290 nan 0.000 0.539 360 Q N -0.413 119.042 119.800 -0.576 0.000 2.170 360 Q HA -0.152 4.187 4.340 -0.001 0.000 0.203 360 Q C 1.669 177.232 176.000 -0.728 0.000 0.976 360 Q CA 1.120 56.248 55.803 -1.125 0.000 0.858 360 Q CB -0.423 27.319 28.738 -1.659 0.000 0.907 360 Q HN 0.455 nan 8.270 nan 0.000 0.433 361 H N 0.357 119.264 119.070 -0.272 0.000 2.395 361 H HA -0.028 4.527 4.556 -0.001 0.000 0.299 361 H C 2.106 177.387 175.328 -0.077 0.000 1.070 361 H CA 1.225 57.186 56.048 -0.144 0.000 1.356 361 H CB -0.068 29.637 29.762 -0.095 0.000 1.401 361 H HN 0.255 nan 8.280 nan 0.000 0.524 362 L N 1.156 122.397 121.223 0.029 0.000 2.093 362 L HA 0.004 4.343 4.340 -0.001 0.000 0.208 362 L C 2.495 179.384 176.870 0.030 0.000 1.085 362 L CA 1.565 56.425 54.840 0.034 0.000 0.755 362 L CB -0.775 41.304 42.059 0.033 0.000 0.904 362 L HN 0.159 nan 8.230 nan 0.000 0.435 363 A N -0.194 122.623 122.820 -0.006 0.000 1.845 363 A HA -0.219 4.100 4.320 -0.001 0.000 0.215 363 A C 2.411 180.063 177.584 0.113 0.000 1.195 363 A CA 1.832 53.910 52.037 0.068 0.000 0.616 363 A CB -0.616 18.462 19.000 0.129 0.000 0.832 363 A HN 0.463 nan 8.150 nan 0.000 0.443 364 R N -1.218 119.327 120.500 0.075 0.000 2.103 364 R HA -0.182 4.157 4.340 -0.001 0.000 0.242 364 R C 2.462 178.842 176.300 0.134 0.000 1.142 364 R CA 1.738 57.907 56.100 0.115 0.000 0.960 364 R CB -0.331 30.019 30.300 0.082 0.000 0.858 364 R HN 0.428 nan 8.270 nan 0.000 0.439 365 R N 1.389 121.960 120.500 0.119 0.000 2.070 365 R HA -0.130 4.209 4.340 -0.001 0.000 0.233 365 R C 1.885 178.307 176.300 0.205 0.000 1.137 365 R CA 1.812 57.993 56.100 0.136 0.000 0.945 365 R CB -0.258 30.105 30.300 0.106 0.000 0.845 365 R HN 0.290 nan 8.270 nan 0.000 0.430 366 E N -0.408 119.925 120.200 0.221 0.000 2.118 366 E HA -0.185 4.164 4.350 -0.001 0.000 0.195 366 E C 1.992 178.878 176.600 0.476 0.000 0.992 366 E CA 1.523 58.158 56.400 0.393 0.000 0.804 366 E CB -0.160 29.674 29.700 0.223 0.000 0.741 366 E HN 0.383 nan 8.360 nan 0.000 0.458 367 I N 0.691 121.462 120.570 0.336 0.000 2.163 367 I HA -0.256 3.913 4.170 -0.001 0.000 0.240 367 I C 2.352 178.615 176.117 0.243 0.000 1.081 367 I CA 1.021 62.516 61.300 0.325 0.000 1.353 367 I CB -0.214 37.970 38.000 0.308 0.000 1.054 367 I HN 0.078 nan 8.210 nan 0.000 0.407 368 I N 0.125 120.812 120.570 0.195 0.000 2.226 368 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 368 I C 2.534 178.734 176.117 0.139 0.000 1.100 368 I CA 1.166 62.550 61.300 0.140 0.000 1.374 368 I CB -0.329 37.739 38.000 0.114 0.000 1.057 368 I HN 0.027 nan 8.210 nan 0.000 0.413 369 V N 0.439 120.461 119.914 0.182 0.000 2.295 369 V HA -0.304 3.816 4.120 -0.001 0.000 0.246 369 V C 2.511 178.677 176.094 0.120 0.000 1.049 369 V CA 2.528 64.929 62.300 0.169 0.000 1.024 369 V CB -0.911 31.070 31.823 0.262 0.000 0.648 369 V HN 0.471 nan 8.190 nan 0.000 0.447 370 T N 0.433 115.069 114.554 0.138 0.000 2.684 370 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 370 T C 1.883 176.619 174.700 0.061 0.000 1.036 370 T CA 1.764 63.899 62.100 0.058 0.000 1.148 370 T CB -0.345 68.612 68.868 0.148 0.000 0.863 370 T HN 0.283 nan 8.240 nan 0.000 0.436 371 L N 0.637 121.910 121.223 0.083 0.000 1.989 371 L HA -0.164 4.175 4.340 -0.001 0.000 0.211 371 L C 2.749 179.669 176.870 0.082 0.000 1.071 371 L CA 1.643 56.525 54.840 0.071 0.000 0.749 371 L CB -0.510 41.586 42.059 0.062 0.000 0.890 371 L HN 0.233 nan 8.230 nan 0.000 0.431 372 K N -0.047 120.395 120.400 0.069 0.000 1.985 372 K HA -0.195 4.124 4.320 -0.001 0.000 0.210 372 K C 2.033 178.658 176.600 0.042 0.000 1.047 372 K CA 1.508 57.828 56.287 0.054 0.000 0.932 372 K CB 0.010 32.539 32.500 0.049 0.000 0.716 372 K HN 0.168 nan 8.250 nan 0.000 0.439 373 E N 0.106 120.327 120.200 0.035 0.000 2.204 373 E HA -0.225 4.124 4.350 -0.001 0.000 0.195 373 E C 1.666 178.235 176.600 -0.053 0.000 0.990 373 E CA 0.784 57.179 56.400 -0.007 0.000 0.821 373 E CB -0.304 29.393 29.700 -0.005 0.000 0.750 373 E HN 0.555 nan 8.360 nan 0.000 0.477 374 W N 1.215 122.393 121.300 -0.203 0.000 2.444 374 W HA -0.032 4.628 4.660 -0.001 0.000 0.308 374 W C 1.829 178.209 176.519 -0.232 0.000 1.183 374 W CA 0.701 57.863 57.345 -0.305 0.000 1.340 374 W CB -0.422 28.792 29.460 -0.411 0.000 1.138 374 W HN 0.003 nan 8.180 nan 0.000 0.510 375 L N 0.845 122.176 121.223 0.179 0.000 2.265 375 L HA -0.222 4.117 4.340 -0.001 0.000 0.215 375 L C 2.204 179.084 176.870 0.017 0.000 1.117 375 L CA 1.658 56.586 54.840 0.146 0.000 0.782 375 L CB -1.007 41.150 42.059 0.163 0.000 0.914 375 L HN -0.077 nan 8.230 nan 0.000 0.441 376 T N -1.287 113.247 114.554 -0.034 0.000 2.942 376 T HA -0.065 4.284 4.350 -0.001 0.000 0.265 376 T C 1.970 176.604 174.700 -0.110 0.000 1.062 376 T CA 0.906 62.975 62.100 -0.052 0.000 1.139 376 T CB -0.006 68.836 68.868 -0.043 0.000 0.883 376 T HN 0.369 nan 8.240 nan 0.000 0.468 377 R N 0.115 120.487 120.500 -0.213 0.000 2.195 377 R HA 0.376 4.715 4.340 -0.001 0.000 0.197 377 R C 0.457 176.533 176.300 -0.373 0.000 0.990 377 R CA 0.500 56.432 56.100 -0.279 0.000 1.048 377 R CB 0.485 30.580 30.300 -0.342 0.000 0.997 377 R HN 0.306 nan 8.270 nan 0.000 0.502 378 I N 2.836 123.085 120.570 -0.537 0.000 2.782 378 I HA 0.179 4.348 4.170 -0.001 0.000 0.279 378 I C -1.917 174.104 176.117 -0.160 0.000 1.247 378 I CA -1.624 59.317 61.300 -0.599 0.000 1.062 378 I CB 2.019 39.191 38.000 -1.381 0.000 1.421 378 I HN -0.117 nan 8.210 nan 0.000 0.558 379 P HA -0.045 nan 4.420 nan 0.000 0.221 379 P C 0.112 177.540 177.300 0.213 0.000 1.150 379 P CA 1.138 64.320 63.100 0.136 0.000 0.800 379 P CB 0.472 32.206 31.700 0.057 0.000 0.787 380 D N -0.315 120.212 120.400 0.210 0.000 2.481 380 D HA 0.495 5.134 4.640 -0.001 0.000 0.246 380 D C -0.769 175.747 176.300 0.359 0.000 1.109 380 D CA -0.526 53.577 54.000 0.171 0.000 0.845 380 D CB 0.878 41.739 40.800 0.103 0.000 1.160 380 D HN -0.032 nan 8.370 nan 0.000 0.534 381 F N 0.410 120.430 119.950 0.117 0.000 2.741 381 F HA 0.776 5.302 4.527 -0.001 0.000 0.313 381 F C -0.818 175.061 175.800 0.132 0.000 1.153 381 F CA -1.039 57.094 58.000 0.221 0.000 0.931 381 F CB 1.046 40.208 39.000 0.270 0.000 1.335 381 F HN 0.191 nan 8.300 nan 0.000 0.460 382 S N 0.689 116.548 115.700 0.265 0.000 2.656 382 S HA 0.678 5.147 4.470 -0.001 0.000 0.273 382 S C -1.435 173.256 174.600 0.153 0.000 1.168 382 S CA -1.056 57.188 58.200 0.074 0.000 0.817 382 S CB 1.523 64.738 63.200 0.024 0.000 1.146 382 S HN 0.759 nan 8.310 nan 0.000 0.475 383 I N 1.934 122.543 120.570 0.064 0.000 2.634 383 I HA 0.327 4.496 4.170 -0.001 0.000 0.284 383 I C 1.305 177.462 176.117 0.067 0.000 1.124 383 I CA -0.121 61.221 61.300 0.069 0.000 1.417 383 I CB 0.391 38.406 38.000 0.025 0.000 1.396 383 I HN 1.001 nan 8.210 nan 0.000 0.571 384 A N 8.663 131.526 122.820 0.072 0.000 2.540 384 A HA 0.215 4.534 4.320 -0.001 0.000 0.239 384 A C -2.078 175.524 177.584 0.030 0.000 1.061 384 A CA -0.722 51.344 52.037 0.048 0.000 0.758 384 A CB -0.935 18.090 19.000 0.042 0.000 0.991 384 A HN 0.512 nan 8.150 nan 0.000 0.502 385 P HA 0.101 nan 4.420 nan 0.000 0.259 385 P C 1.054 178.360 177.300 0.010 0.000 1.163 385 P CA 2.160 65.267 63.100 0.012 0.000 0.760 385 P CB 0.275 31.979 31.700 0.007 0.000 0.762 386 G N 2.260 111.064 108.800 0.007 0.000 2.203 386 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.263 386 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.263 386 G C 0.391 175.297 174.900 0.010 0.000 1.012 386 G CA 0.042 45.145 45.100 0.006 0.000 0.749 386 G HN 0.846 nan 8.290 nan 0.000 0.512 387 A N -0.845 121.984 122.820 0.014 0.000 2.310 387 A HA 0.807 5.126 4.320 -0.001 0.000 0.299 387 A C 0.161 177.755 177.584 0.016 0.000 1.147 387 A CA -0.131 51.917 52.037 0.020 0.000 0.818 387 A CB 0.880 19.897 19.000 0.029 0.000 1.096 387 A HN 0.440 nan 8.150 nan 0.000 0.495 388 Q N 1.513 121.323 119.800 0.017 0.000 2.341 388 Q HA 0.430 4.769 4.340 -0.001 0.000 0.268 388 Q C -0.848 175.163 176.000 0.018 0.000 1.013 388 Q CA -0.396 55.413 55.803 0.010 0.000 0.798 388 Q CB 1.366 30.107 28.738 0.005 0.000 1.253 388 Q HN 0.660 nan 8.270 nan 0.000 0.457 389 I N 2.963 123.543 120.570 0.017 0.000 2.452 389 I HA 0.111 4.280 4.170 -0.001 0.000 0.287 389 I C 0.118 176.243 176.117 0.013 0.000 1.079 389 I CA -0.150 61.176 61.300 0.045 0.000 1.387 389 I CB 0.597 38.649 38.000 0.086 0.000 1.404 389 I HN 0.601 nan 8.210 nan 0.000 0.522 390 Q N 6.855 126.699 119.800 0.073 0.000 2.271 390 Q HA 0.348 4.687 4.340 -0.001 0.000 0.258 390 Q C -0.952 175.191 176.000 0.238 0.000 0.936 390 Q CA -0.176 55.675 55.803 0.081 0.000 0.909 390 Q CB 0.972 29.755 28.738 0.074 0.000 1.253 390 Q HN 0.589 nan 8.270 nan 0.000 0.440 391 H N 1.623 120.769 119.070 0.127 0.000 2.570 391 H HA 0.598 5.153 4.556 -0.001 0.000 0.342 391 H C -0.528 174.896 175.328 0.160 0.000 1.245 391 H CA -1.199 54.957 56.048 0.180 0.000 1.318 391 H CB 1.354 31.299 29.762 0.305 0.000 1.694 391 H HN 0.237 nan 8.280 nan 0.000 0.592 392 K N 0.891 121.479 120.400 0.313 0.000 2.468 392 K HA 0.298 4.617 4.320 -0.001 0.000 0.252 392 K C -1.083 175.670 176.600 0.256 0.000 0.932 392 K CA -0.460 55.965 56.287 0.229 0.000 0.794 392 K CB 2.639 35.236 32.500 0.161 0.000 1.241 392 K HN 0.542 nan 8.250 nan 0.000 0.428 393 S N 0.651 116.499 115.700 0.246 0.000 2.578 393 S HA 0.922 5.391 4.470 -0.001 0.000 0.301 393 S C -0.246 174.468 174.600 0.190 0.000 1.091 393 S CA 0.135 58.503 58.200 0.280 0.000 1.032 393 S CB 1.283 64.712 63.200 0.382 0.000 1.064 393 S HN 0.837 nan 8.310 nan 0.000 0.508 394 G N 2.360 111.224 108.800 0.108 0.000 2.356 394 G HA2 0.204 4.163 3.960 -0.001 0.000 0.281 394 G HA3 0.204 4.163 3.960 -0.001 0.000 0.281 394 G C 0.199 174.990 174.900 -0.182 0.000 1.246 394 G CA -0.360 44.663 45.100 -0.129 0.000 0.889 394 G HN 0.544 nan 8.290 nan 0.000 0.486 395 I N -0.103 120.326 120.570 -0.236 0.000 2.264 395 I HA -0.015 4.154 4.170 -0.001 0.000 0.248 395 I C 0.959 176.945 176.117 -0.218 0.000 1.111 395 I CA 1.559 62.641 61.300 -0.362 0.000 1.382 395 I CB -0.748 36.902 38.000 -0.584 0.000 1.060 395 I HN 0.055 nan 8.210 nan 0.000 0.418 396 V N 0.962 120.834 119.914 -0.070 0.000 2.483 396 V HA 0.276 4.395 4.120 -0.001 0.000 0.297 396 V C 0.079 176.197 176.094 0.040 0.000 1.027 396 V CA -0.547 61.743 62.300 -0.017 0.000 0.855 396 V CB 1.807 33.662 31.823 0.053 0.000 0.995 396 V HN 0.100 nan 8.190 nan 0.000 0.424 397 S N 2.620 118.348 115.700 0.048 0.000 2.632 397 S HA 0.886 5.355 4.470 -0.001 0.000 0.271 397 S C 0.447 175.230 174.600 0.305 0.000 1.260 397 S CA 0.045 58.345 58.200 0.167 0.000 1.010 397 S CB 1.780 65.048 63.200 0.113 0.000 0.965 397 S HN 1.131 nan 8.310 nan 0.000 0.534 398 G N -0.320 108.631 108.800 0.252 0.000 2.749 398 G HA2 0.576 4.535 3.960 -0.001 0.000 0.300 398 G HA3 0.576 4.535 3.960 -0.001 0.000 0.300 398 G C -1.822 172.892 174.900 -0.309 0.000 1.352 398 G CA -0.522 44.503 45.100 -0.125 0.000 0.789 398 G HN 0.619 nan 8.290 nan 0.000 0.509 399 V N 1.249 120.867 119.914 -0.495 0.000 2.448 399 V HA 0.301 4.421 4.120 -0.001 0.000 0.295 399 V C 0.708 176.754 176.094 -0.080 0.000 1.025 399 V CA -0.587 61.546 62.300 -0.280 0.000 0.859 399 V CB 1.560 33.128 31.823 -0.425 0.000 0.988 399 V HN 0.717 nan 8.190 nan 0.000 0.431 400 Q N 2.748 122.567 119.800 0.031 0.000 2.079 400 Q HA 0.164 4.503 4.340 -0.001 0.000 0.200 400 Q C 0.661 176.683 176.000 0.035 0.000 0.974 400 Q CA 1.337 57.165 55.803 0.041 0.000 0.840 400 Q CB 0.325 29.104 28.738 0.068 0.000 0.898 400 Q HN 0.913 nan 8.270 nan 0.000 0.430 401 A N -0.055 122.794 122.820 0.047 0.000 2.589 401 A HA 0.554 4.873 4.320 -0.001 0.000 0.296 401 A C -1.819 175.806 177.584 0.070 0.000 1.062 401 A CA -0.596 51.475 52.037 0.056 0.000 0.686 401 A CB 1.335 20.369 19.000 0.056 0.000 1.282 401 A HN 0.086 nan 8.150 nan 0.000 0.404 402 L N 3.216 124.496 121.223 0.095 0.000 2.514 402 L HA 0.521 4.860 4.340 -0.001 0.000 0.257 402 L C -2.687 174.268 176.870 0.142 0.000 1.101 402 L CA -1.553 53.350 54.840 0.106 0.000 0.911 402 L CB 1.820 43.942 42.059 0.104 0.000 1.162 402 L HN 0.461 nan 8.230 nan 0.000 0.477 403 P HA 0.299 nan 4.420 nan 0.000 0.282 403 P C -1.046 176.342 177.300 0.146 0.000 1.262 403 P CA -0.077 63.096 63.100 0.121 0.000 0.773 403 P CB 1.260 33.007 31.700 0.078 0.000 0.879 404 L N 3.761 125.113 121.223 0.215 0.000 2.341 404 L HA 0.753 5.092 4.340 -0.001 0.000 0.267 404 L C 0.386 177.409 176.870 0.255 0.000 1.009 404 L CA -1.230 53.797 54.840 0.311 0.000 0.819 404 L CB 2.243 44.589 42.059 0.478 0.000 1.323 404 L HN 0.230 nan 8.230 nan 0.000 0.425 405 V N -1.506 118.586 119.914 0.298 0.000 3.114 405 V HA 0.812 4.931 4.120 -0.001 0.000 0.308 405 V C -1.769 174.541 176.094 0.359 0.000 1.168 405 V CA -0.616 61.722 62.300 0.063 0.000 1.015 405 V CB 1.811 33.632 31.823 -0.004 0.000 1.050 405 V HN 0.988 nan 8.190 nan 0.000 0.433 406 W N 0.459 121.831 121.300 0.121 0.000 3.059 406 W HA 0.741 5.400 4.660 -0.002 0.000 0.329 406 W C -1.799 174.760 176.519 0.067 0.000 1.246 406 W CA -0.678 56.739 57.345 0.121 0.000 1.190 406 W CB 0.882 30.448 29.460 0.176 0.000 1.423 406 W HN 0.681 nan 8.180 nan 0.000 0.571 407 D N 2.098 122.679 120.400 0.302 0.000 2.347 407 D HA 0.359 4.998 4.640 -0.001 0.000 0.235 407 D C -1.468 174.983 176.300 0.252 0.000 1.149 407 D CA -2.429 51.673 54.000 0.170 0.000 0.850 407 D CB 1.824 42.698 40.800 0.122 0.000 1.061 407 D HN 0.050 nan 8.370 nan 0.000 0.487 408 P HA -0.161 nan 4.420 nan 0.000 0.218 408 P C 0.945 178.324 177.300 0.131 0.000 1.146 408 P CA 1.355 64.578 63.100 0.205 0.000 0.813 408 P CB 0.209 31.969 31.700 0.101 0.000 0.778 409 A N -0.565 122.311 122.820 0.094 0.000 2.024 409 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 409 A C 2.042 179.664 177.584 0.063 0.000 1.164 409 A CA 2.219 54.294 52.037 0.063 0.000 0.643 409 A CB -1.728 17.301 19.000 0.048 0.000 0.806 409 A HN 0.363 nan 8.150 nan 0.000 0.451 410 T N -2.579 112.028 114.554 0.088 0.000 3.107 410 T HA 0.189 4.539 4.350 -0.001 0.000 0.249 410 T C 0.800 175.527 174.700 0.045 0.000 1.096 410 T CA 0.680 62.822 62.100 0.069 0.000 1.012 410 T CB -0.824 68.097 68.868 0.089 0.000 0.977 410 T HN 0.545 nan 8.240 nan 0.000 0.527 411 T N -0.118 114.462 114.554 0.044 0.000 2.897 411 T HA 0.627 4.976 4.350 -0.001 0.000 0.278 411 T C -0.701 173.982 174.700 -0.028 0.000 0.981 411 T CA -0.951 61.135 62.100 -0.023 0.000 0.973 411 T CB 1.653 70.501 68.868 -0.032 0.000 1.092 411 T HN 0.608 nan 8.240 nan 0.000 0.543 412 K N -0.314 120.047 120.400 -0.065 0.000 2.561 412 K HA 0.659 4.978 4.320 -0.001 0.000 0.254 412 K C -1.154 175.406 176.600 -0.067 0.000 0.942 412 K CA -1.105 55.153 56.287 -0.048 0.000 0.818 412 K CB 1.694 34.172 32.500 -0.036 0.000 1.306 412 K HN 0.809 nan 8.250 nan 0.000 0.435 413 A N 2.837 125.629 122.820 -0.047 0.000 2.388 413 A HA 0.558 4.877 4.320 -0.001 0.000 0.257 413 A C -0.204 177.355 177.584 -0.042 0.000 1.095 413 A CA -0.462 51.546 52.037 -0.049 0.000 0.791 413 A CB 0.668 19.649 19.000 -0.031 0.000 1.029 413 A HN 0.480 nan 8.150 nan 0.000 0.489 414 V N 0.000 119.886 119.914 -0.046 0.000 2.409 414 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 414 V CA 0.000 62.280 62.300 -0.033 0.000 1.235 414 V CB 0.000 31.800 31.823 -0.039 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556