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 1q47_1_B DATA FIRST_RESID 26 DATA SEQUENCE KNNVPRLKLS YKEMLESNNV ITFNGLANSS SYHTFLLDEE RSRLYVGAKD DATA SEQUENCE HIFSFNLVNI KDFQKIVWPV SYTRRDEcKW AGKDILKEcA NFIKVLEAYN DATA SEQUENCE QTHLYACGTG AFHPICTYIE VGHHPEDNIF KLQDSHFENG RGKSPYDPKL DATA SEQUENCE LTASLLIDGE LYSGTAADFM GRDFAIFRTL GHHHPIRTEQ HDSRWLNDPR DATA SEQUENCE FISAHLIPES DNPEDDKVYF FFRENAIDGE HSGKATHARI GQIcKNDFGG DATA SEQUENCE HRSLVNKWTT FLKARLIcSV PGPNGIDTHF DELQDVFLMN SKDPKNPIVY DATA SEQUENCE GVFTTSSNIF KGSAVcMYSM SDVRRVFLGP YAHRDGPNYQ WVPYQGRVPY DATA SEQUENCE PRPGTcPSKT FGGFDSTKDL PDDVITFARS HPAMYNPVFP INNRPIMIKT DATA SEQUENCE DVNYQFTQIV VDRVDAEDGQ YDVMFIGTDV GTVLKVVSVP KETWHDLEEV DATA SEQUENCE LLEEMTVFRE PTTISAMELS TKQQQLYIGS TAGVAQLPLH RCDIY 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 26 K HA 0.000 nan 4.320 nan 0.000 0.191 26 K C 0.000 176.597 176.600 -0.004 0.000 0.988 26 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 26 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 27 N N -0.211 118.487 118.700 -0.002 0.000 2.476 27 N HA 0.244 4.984 4.740 0.001 0.000 0.276 27 N C -0.311 175.204 175.510 0.009 0.000 1.204 27 N CA -0.520 52.532 53.050 0.003 0.000 0.974 27 N CB 1.024 39.513 38.487 0.003 0.000 1.204 27 N HN 0.110 nan 8.380 nan 0.000 0.543 28 N N -0.022 118.688 118.700 0.015 0.000 2.194 28 N HA 0.084 4.824 4.740 0.001 0.000 0.231 28 N C -0.934 174.599 175.510 0.038 0.000 1.247 28 N CA -0.124 52.943 53.050 0.028 0.000 0.884 28 N CB 1.022 39.524 38.487 0.025 0.000 1.146 28 N HN 0.255 nan 8.380 nan 0.000 0.516 29 V N 0.387 120.318 119.914 0.028 0.000 2.439 29 V HA 0.579 4.700 4.120 0.001 0.000 0.282 29 V C -2.413 173.696 176.094 0.025 0.000 1.039 29 V CA -2.082 60.236 62.300 0.030 0.000 0.913 29 V CB 1.149 32.984 31.823 0.021 0.000 0.983 29 V HN -0.023 nan 8.190 nan 0.000 0.460 30 P HA 0.162 nan 4.420 nan 0.000 0.267 30 P C 0.164 177.470 177.300 0.009 0.000 1.209 30 P CA -0.148 62.959 63.100 0.011 0.000 0.763 30 P CB 0.976 32.677 31.700 0.002 0.000 0.816 31 R N 3.177 123.689 120.500 0.019 0.000 2.316 31 R HA 0.142 4.483 4.340 0.001 0.000 0.202 31 R C 0.374 176.691 176.300 0.029 0.000 1.029 31 R CA 0.545 56.667 56.100 0.037 0.000 1.018 31 R CB -0.106 30.234 30.300 0.067 0.000 0.888 31 R HN 0.492 nan 8.270 nan 0.000 0.471 32 L N 1.261 122.475 121.223 -0.016 0.000 2.595 32 L HA 0.322 4.663 4.340 0.001 0.000 0.259 32 L C -1.561 175.254 176.870 -0.092 0.000 1.033 32 L CA -0.621 54.168 54.840 -0.085 0.000 0.901 32 L CB 1.121 43.053 42.059 -0.213 0.000 1.151 32 L HN -0.078 nan 8.230 nan 0.000 0.453 33 K N 4.541 124.903 120.400 -0.064 0.000 2.156 33 K HA 0.801 5.122 4.320 0.001 0.000 0.271 33 K C -1.536 175.025 176.600 -0.065 0.000 0.995 33 K CA -0.453 55.801 56.287 -0.054 0.000 0.890 33 K CB 1.265 33.751 32.500 -0.023 0.000 1.073 33 K HN 0.536 nan 8.250 nan 0.000 0.454 34 L N 2.065 123.247 121.223 -0.068 0.000 2.465 34 L HA 0.377 4.717 4.340 0.001 0.000 0.257 34 L C -0.563 176.278 176.870 -0.048 0.000 0.988 34 L CA -0.927 53.871 54.840 -0.070 0.000 0.827 34 L CB 2.366 44.363 42.059 -0.103 0.000 1.397 34 L HN 0.813 nan 8.230 nan 0.000 0.410 35 S N -0.573 115.107 115.700 -0.033 0.000 2.704 35 S HA 0.331 4.802 4.470 0.001 0.000 0.305 35 S C 0.678 175.286 174.600 0.013 0.000 1.107 35 S CA -0.568 57.637 58.200 0.008 0.000 0.993 35 S CB 1.230 64.446 63.200 0.028 0.000 1.110 35 S HN 0.663 nan 8.310 nan 0.000 0.534 36 Y N 1.386 121.654 120.300 -0.052 0.000 2.193 36 Y HA -0.226 4.325 4.550 0.001 0.000 0.285 36 Y C 2.457 178.326 175.900 -0.051 0.000 1.166 36 Y CA 2.370 60.434 58.100 -0.060 0.000 1.181 36 Y CB -0.172 38.270 38.460 -0.029 0.000 0.976 36 Y HN 0.873 nan 8.280 nan 0.000 0.520 37 K N 0.478 120.869 120.400 -0.014 0.000 1.969 37 K HA -0.267 4.054 4.320 0.001 0.000 0.216 37 K C 1.903 178.424 176.600 -0.132 0.000 1.048 37 K CA 2.283 58.529 56.287 -0.068 0.000 0.948 37 K CB -0.392 32.113 32.500 0.008 0.000 0.726 37 K HN 0.481 nan 8.250 nan 0.000 0.442 38 E N 0.141 120.285 120.200 -0.093 0.000 2.085 38 E HA -0.215 4.135 4.350 0.001 0.000 0.194 38 E C 2.222 178.736 176.600 -0.142 0.000 0.994 38 E CA 1.419 57.759 56.400 -0.100 0.000 0.801 38 E CB -0.123 29.530 29.700 -0.077 0.000 0.743 38 E HN 0.375 nan 8.360 nan 0.000 0.453 39 M N 0.452 119.947 119.600 -0.174 0.000 2.082 39 M HA -0.176 4.305 4.480 0.001 0.000 0.258 39 M C 2.429 178.576 176.300 -0.254 0.000 1.069 39 M CA 1.314 56.488 55.300 -0.210 0.000 1.102 39 M CB -0.805 31.659 32.600 -0.227 0.000 1.336 39 M HN 0.204 nan 8.290 nan 0.000 0.404 40 L N -0.461 120.552 121.223 -0.350 0.000 2.275 40 L HA -0.162 4.178 4.340 0.001 0.000 0.215 40 L C 1.067 177.822 176.870 -0.192 0.000 1.119 40 L CA 0.974 55.617 54.840 -0.329 0.000 0.790 40 L CB -0.134 41.661 42.059 -0.441 0.000 0.919 40 L HN 0.342 nan 8.230 nan 0.000 0.443 41 E N -1.399 118.707 120.200 -0.156 0.000 2.370 41 E HA 0.022 4.373 4.350 0.001 0.000 0.194 41 E C 0.741 177.285 176.600 -0.094 0.000 1.057 41 E CA 0.205 56.542 56.400 -0.105 0.000 1.011 41 E CB 0.358 30.008 29.700 -0.084 0.000 1.132 41 E HN 0.329 nan 8.360 nan 0.000 0.450 42 S N -1.283 114.351 115.700 -0.109 0.000 2.904 42 S HA 0.080 4.551 4.470 0.001 0.000 0.260 42 S C 0.005 174.546 174.600 -0.099 0.000 1.000 42 S CA -0.651 57.491 58.200 -0.096 0.000 1.274 42 S CB -0.053 63.085 63.200 -0.104 0.000 1.196 42 S HN 0.193 nan 8.310 nan 0.000 0.678 43 N N 2.339 120.975 118.700 -0.107 0.000 2.746 43 N HA -0.116 4.624 4.740 0.001 0.000 0.250 43 N C -0.553 174.885 175.510 -0.121 0.000 1.055 43 N CA 0.812 53.801 53.050 -0.102 0.000 0.699 43 N CB -1.668 36.773 38.487 -0.076 0.000 0.919 43 N HN 0.514 nan 8.380 nan 0.000 0.548 44 N N -0.645 117.967 118.700 -0.147 0.000 2.194 44 N HA 0.185 4.925 4.740 0.001 0.000 0.231 44 N C -0.771 174.632 175.510 -0.178 0.000 1.247 44 N CA 0.370 53.324 53.050 -0.161 0.000 0.884 44 N CB 1.294 39.685 38.487 -0.161 0.000 1.146 44 N HN 0.271 nan 8.380 nan 0.000 0.516 45 V N -1.339 118.467 119.914 -0.179 0.000 2.697 45 V HA 0.586 4.707 4.120 0.001 0.000 0.300 45 V C -0.985 175.029 176.094 -0.133 0.000 1.115 45 V CA -1.001 61.191 62.300 -0.179 0.000 0.912 45 V CB 1.553 33.237 31.823 -0.232 0.000 1.024 45 V HN -0.172 nan 8.190 nan 0.000 0.431 46 I N 3.422 123.931 120.570 -0.102 0.000 2.460 46 I HA 0.498 4.669 4.170 0.001 0.000 0.277 46 I C 0.613 176.724 176.117 -0.009 0.000 1.057 46 I CA 0.126 61.397 61.300 -0.047 0.000 1.179 46 I CB 1.589 39.561 38.000 -0.045 0.000 1.329 46 I HN 0.726 nan 8.210 nan 0.000 0.478 47 T N 5.537 120.120 114.554 0.050 0.000 2.856 47 T HA 0.361 4.712 4.350 0.001 0.000 0.292 47 T C -0.532 174.234 174.700 0.109 0.000 0.980 47 T CA -0.135 62.027 62.100 0.104 0.000 1.091 47 T CB 0.633 69.635 68.868 0.225 0.000 0.936 47 T HN 0.256 nan 8.240 nan 0.000 0.503 48 F N 3.885 123.776 119.950 -0.099 0.000 2.347 48 F HA 0.390 4.918 4.527 0.001 0.000 0.366 48 F C 0.792 176.471 175.800 -0.201 0.000 1.107 48 F CA -1.188 56.715 58.000 -0.162 0.000 1.058 48 F CB 0.600 39.388 39.000 -0.353 0.000 1.236 48 F HN 0.463 nan 8.300 nan 0.000 0.456 49 N N 4.208 122.532 118.700 -0.628 0.000 2.521 49 N HA 0.110 4.850 4.740 0.001 0.000 0.188 49 N C 0.735 175.762 175.510 -0.805 0.000 1.146 49 N CA 0.814 53.532 53.050 -0.553 0.000 0.893 49 N CB 0.009 38.332 38.487 -0.274 0.000 0.975 49 N HN 0.916 nan 8.380 nan 0.000 0.451 50 G N 1.286 109.079 108.800 -1.679 0.000 2.797 50 G HA2 -0.255 3.706 3.960 0.001 0.000 0.686 50 G HA3 -0.255 3.706 3.960 0.001 0.000 0.686 50 G C -0.232 174.470 174.900 -0.329 0.000 1.452 50 G CA -0.649 43.756 45.100 -1.160 0.000 0.986 50 G HN 0.224 nan 8.290 nan 0.000 0.595 51 L N 1.219 122.454 121.223 0.020 0.000 2.499 51 L HA 0.311 4.652 4.340 0.001 0.000 0.281 51 L C 2.224 179.137 176.870 0.071 0.000 1.234 51 L CA 0.148 55.039 54.840 0.085 0.000 0.839 51 L CB 0.161 42.293 42.059 0.122 0.000 1.104 51 L HN 1.037 nan 8.230 nan 0.000 0.500 52 A N 2.177 125.028 122.820 0.051 0.000 2.067 52 A HA -0.120 4.201 4.320 0.001 0.000 0.219 52 A C 1.194 178.817 177.584 0.064 0.000 1.158 52 A CA 1.314 53.379 52.037 0.047 0.000 0.661 52 A CB -0.586 18.436 19.000 0.038 0.000 0.801 52 A HN 0.897 nan 8.150 nan 0.000 0.452 53 N N -0.469 118.281 118.700 0.083 0.000 2.714 53 N HA 0.256 4.997 4.740 0.001 0.000 0.298 53 N C -0.422 175.173 175.510 0.142 0.000 1.298 53 N CA 0.581 53.692 53.050 0.102 0.000 1.007 53 N CB 0.226 38.787 38.487 0.125 0.000 1.318 53 N HN 0.159 nan 8.380 nan 0.000 0.516 54 S N -0.620 115.148 115.700 0.114 0.000 2.636 54 S HA 0.742 5.213 4.470 0.001 0.000 0.266 54 S C -1.679 172.920 174.600 -0.002 0.000 1.147 54 S CA 0.011 58.269 58.200 0.097 0.000 0.815 54 S CB 0.642 63.981 63.200 0.232 0.000 1.119 54 S HN 0.726 nan 8.310 nan 0.000 0.470 55 S N 0.268 115.818 115.700 -0.250 0.000 2.636 55 S HA 0.599 5.070 4.470 0.001 0.000 0.266 55 S C -0.877 173.372 174.600 -0.585 0.000 1.116 55 S CA -0.035 57.943 58.200 -0.370 0.000 0.893 55 S CB 0.015 63.200 63.200 -0.024 0.000 1.171 55 S HN 2.027 nan 8.310 nan 0.000 0.482 56 S N -0.270 115.178 115.700 -0.421 0.000 3.667 56 S HA -0.164 4.307 4.470 0.001 0.000 0.405 56 S C -0.499 173.662 174.600 -0.730 0.000 0.913 56 S CA 0.742 58.563 58.200 -0.631 0.000 1.288 56 S CB -2.290 60.895 63.200 -0.024 0.000 0.905 56 S HN 0.854 nan 8.310 nan 0.000 0.550 57 Y N 0.547 120.637 120.300 -0.350 0.000 2.930 57 Y HA 0.228 4.779 4.550 0.001 0.000 0.386 57 Y C 1.674 177.661 175.900 0.145 0.000 1.185 57 Y CA -0.611 57.511 58.100 0.037 0.000 1.922 57 Y CB -0.388 38.163 38.460 0.152 0.000 2.006 57 Y HN 0.537 nan 8.280 nan 0.000 0.431 58 H N -1.399 117.843 119.070 0.288 0.000 2.497 58 H HA 0.073 4.629 4.556 0.001 0.000 0.282 58 H C 0.506 175.921 175.328 0.146 0.000 1.003 58 H CA 0.373 56.501 56.048 0.133 0.000 1.307 58 H CB -0.026 29.785 29.762 0.081 0.000 1.437 58 H HN 0.158 nan 8.280 nan 0.000 0.544 59 T N 3.049 117.852 114.554 0.415 0.000 2.738 59 T HA 0.250 4.600 4.350 0.001 0.000 0.294 59 T C 0.007 175.098 174.700 0.652 0.000 0.914 59 T CA -0.053 62.288 62.100 0.403 0.000 1.052 59 T CB -0.260 68.794 68.868 0.309 0.000 0.897 59 T HN 0.026 nan 8.240 nan 0.000 0.522 60 F N 2.758 122.826 119.950 0.197 0.000 2.443 60 F HA 0.536 5.064 4.527 0.001 0.000 0.335 60 F C 0.223 176.124 175.800 0.168 0.000 1.104 60 F CA -1.323 56.788 58.000 0.185 0.000 1.013 60 F CB 1.568 40.658 39.000 0.149 0.000 1.136 60 F HN 0.196 nan 8.300 nan 0.000 0.470 61 L N 6.270 127.688 121.223 0.326 0.000 2.442 61 L HA 0.332 4.673 4.340 0.001 0.000 0.261 61 L C -1.213 175.792 176.870 0.225 0.000 1.000 61 L CA -0.646 54.339 54.840 0.241 0.000 0.882 61 L CB 1.007 43.180 42.059 0.190 0.000 1.207 61 L HN 0.521 nan 8.230 nan 0.000 0.443 62 L N 4.020 125.340 121.223 0.162 0.000 2.397 62 L HA 0.319 4.660 4.340 0.001 0.000 0.271 62 L C -0.656 176.286 176.870 0.120 0.000 1.148 62 L CA 0.774 55.667 54.840 0.088 0.000 0.825 62 L CB 1.304 43.405 42.059 0.069 0.000 1.117 62 L HN 0.622 nan 8.230 nan 0.000 0.456 63 D N 3.573 124.043 120.400 0.116 0.000 2.405 63 D HA 0.103 4.744 4.640 0.001 0.000 0.264 63 D C 0.790 177.140 176.300 0.083 0.000 1.240 63 D CA -0.288 53.793 54.000 0.136 0.000 0.893 63 D CB 0.873 41.837 40.800 0.274 0.000 1.198 63 D HN 0.506 nan 8.370 nan 0.000 0.514 64 E N 1.380 121.618 120.200 0.064 0.000 2.049 64 E HA -0.199 4.152 4.350 0.001 0.000 0.198 64 E C 1.340 177.972 176.600 0.053 0.000 1.007 64 E CA 1.152 57.582 56.400 0.051 0.000 0.809 64 E CB 0.364 30.098 29.700 0.056 0.000 0.749 64 E HN 0.565 nan 8.360 nan 0.000 0.450 65 E N 0.689 120.927 120.200 0.063 0.000 2.033 65 E HA -0.180 4.171 4.350 0.001 0.000 0.199 65 E C 2.021 178.661 176.600 0.066 0.000 1.011 65 E CA 1.061 57.498 56.400 0.062 0.000 0.815 65 E CB -0.428 29.313 29.700 0.067 0.000 0.755 65 E HN 0.266 nan 8.360 nan 0.000 0.451 66 R N 0.601 121.154 120.500 0.088 0.000 2.323 66 R HA 0.082 4.423 4.340 0.001 0.000 0.198 66 R C 0.917 177.248 176.300 0.052 0.000 0.988 66 R CA 0.452 56.609 56.100 0.094 0.000 1.041 66 R CB -0.099 30.301 30.300 0.166 0.000 0.926 66 R HN -0.012 nan 8.270 nan 0.000 0.476 67 S N 0.688 116.411 115.700 0.038 0.000 3.477 67 S HA -0.153 4.318 4.470 0.001 0.000 0.357 67 S C -0.349 174.223 174.600 -0.046 0.000 1.083 67 S CA 0.810 59.013 58.200 0.005 0.000 1.042 67 S CB -0.457 62.749 63.200 0.009 0.000 0.911 67 S HN 0.275 nan 8.310 nan 0.000 0.490 68 R N 0.611 121.071 120.500 -0.067 0.000 2.854 68 R HA 0.580 4.920 4.340 0.001 0.000 0.271 68 R C -0.328 175.825 176.300 -0.245 0.000 0.996 68 R CA -0.913 55.053 56.100 -0.222 0.000 0.961 68 R CB 0.896 30.946 30.300 -0.417 0.000 1.182 68 R HN 0.303 nan 8.270 nan 0.000 0.479 69 L N 3.113 124.118 121.223 -0.363 0.000 2.366 69 L HA 0.415 4.756 4.340 0.001 0.000 0.266 69 L C -1.298 175.411 176.870 -0.268 0.000 1.010 69 L CA -0.637 54.010 54.840 -0.322 0.000 0.879 69 L CB 0.346 42.069 42.059 -0.560 0.000 1.228 69 L HN 0.495 nan 8.230 nan 0.000 0.439 70 Y N 3.605 123.855 120.300 -0.083 0.000 2.359 70 Y HA 0.345 4.896 4.550 0.001 0.000 0.330 70 Y C 0.545 176.476 175.900 0.052 0.000 1.143 70 Y CA -0.277 57.831 58.100 0.015 0.000 1.318 70 Y CB 1.173 39.694 38.460 0.100 0.000 1.234 70 Y HN 0.261 nan 8.280 nan 0.000 0.522 71 V N 3.007 123.105 119.914 0.306 0.000 2.445 71 V HA 0.443 4.564 4.120 0.001 0.000 0.283 71 V C 0.237 176.655 176.094 0.540 0.000 1.014 71 V CA -1.059 61.462 62.300 0.368 0.000 0.852 71 V CB 1.483 33.478 31.823 0.286 0.000 1.021 71 V HN 0.975 nan 8.190 nan 0.000 0.435 72 G N 2.992 112.072 108.800 0.466 0.000 2.339 72 G HA2 0.687 4.648 3.960 0.001 0.000 0.287 72 G HA3 0.687 4.648 3.960 0.001 0.000 0.287 72 G C 0.041 175.150 174.900 0.349 0.000 1.163 72 G CA 0.637 45.975 45.100 0.396 0.000 0.872 72 G HN 1.040 nan 8.290 nan 0.000 0.464 73 A N 2.684 125.694 122.820 0.316 0.000 3.458 73 A HA 0.820 5.141 4.320 0.001 0.000 0.205 73 A C 0.199 177.779 177.584 -0.006 0.000 1.060 73 A CA -0.693 51.412 52.037 0.114 0.000 0.829 73 A CB 0.640 19.622 19.000 -0.030 0.000 1.419 73 A HN 0.640 nan 8.150 nan 0.000 0.644 74 K N 0.375 120.687 120.400 -0.146 0.000 2.349 74 K HA 0.255 4.576 4.320 0.001 0.000 0.288 74 K C -0.820 175.629 176.600 -0.251 0.000 1.058 74 K CA 0.481 56.533 56.287 -0.391 0.000 0.953 74 K CB 0.033 32.256 32.500 -0.462 0.000 0.997 74 K HN 0.513 nan 8.250 nan 0.000 0.477 75 D N 1.567 121.696 120.400 -0.453 0.000 3.028 75 D HA -0.224 4.416 4.640 0.001 0.000 0.211 75 D C -0.488 175.398 176.300 -0.689 0.000 1.136 75 D CA 1.485 55.163 54.000 -0.538 0.000 0.987 75 D CB -0.759 39.739 40.800 -0.503 0.000 1.128 75 D HN 0.666 nan 8.370 nan 0.000 0.406 76 H N -1.464 117.541 119.070 -0.108 0.000 2.977 76 H HA 0.699 5.255 4.556 0.001 0.000 0.350 76 H C -0.000 175.307 175.328 -0.033 0.000 1.238 76 H CA -0.619 55.362 56.048 -0.112 0.000 1.124 76 H CB 1.697 31.315 29.762 -0.240 0.000 1.866 76 H HN -0.132 nan 8.280 nan 0.000 0.550 77 I N 1.751 122.315 120.570 -0.011 0.000 2.571 77 I HA 0.213 4.384 4.170 0.001 0.000 0.289 77 I C -1.205 174.973 176.117 0.102 0.000 1.115 77 I CA -0.433 60.984 61.300 0.195 0.000 1.045 77 I CB 1.596 39.747 38.000 0.250 0.000 1.238 77 I HN 0.214 nan 8.210 nan 0.000 0.424 78 F N 2.869 122.975 119.950 0.261 0.000 2.523 78 F HA 0.536 5.064 4.527 0.001 0.000 0.329 78 F C 0.592 176.118 175.800 -0.456 0.000 1.061 78 F CA -0.956 56.956 58.000 -0.147 0.000 0.967 78 F CB 1.962 40.514 39.000 -0.746 0.000 1.218 78 F HN 0.243 nan 8.300 nan 0.000 0.480 79 S N 2.444 117.648 115.700 -0.827 0.000 2.395 79 S HA 0.527 4.998 4.470 0.001 0.000 0.207 79 S C -1.050 173.076 174.600 -0.791 0.000 1.454 79 S CA -0.479 57.001 58.200 -1.199 0.000 1.211 79 S CB -0.647 61.373 63.200 -1.967 0.000 1.093 79 S HN 0.389 nan 8.310 nan 0.000 0.472 80 F N 2.864 122.515 119.950 -0.497 0.000 2.382 80 F HA 0.370 4.898 4.527 0.001 0.000 0.331 80 F C 1.052 176.671 175.800 -0.302 0.000 1.121 80 F CA -0.645 57.152 58.000 -0.339 0.000 1.183 80 F CB 0.648 39.395 39.000 -0.422 0.000 1.207 80 F HN 0.520 nan 8.300 nan 0.000 0.555 81 N N 2.580 121.313 118.700 0.055 0.000 2.415 81 N HA 0.221 4.962 4.740 0.001 0.000 0.246 81 N C -0.487 175.037 175.510 0.023 0.000 1.078 81 N CA -0.644 52.403 53.050 -0.005 0.000 0.942 81 N CB 0.464 38.966 38.487 0.025 0.000 1.140 81 N HN 0.489 nan 8.380 nan 0.000 0.501 82 L N 2.636 123.837 121.223 -0.035 0.000 2.803 82 L HA 0.269 4.609 4.340 0.001 0.000 0.241 82 L C -0.150 176.809 176.870 0.148 0.000 1.404 82 L CA 0.171 55.027 54.840 0.027 0.000 1.211 82 L CB -0.488 41.442 42.059 -0.216 0.000 1.585 82 L HN 0.365 nan 8.230 nan 0.000 0.430 83 V N -1.516 118.463 119.914 0.108 0.000 3.264 83 V HA 0.316 4.437 4.120 0.001 0.000 0.262 83 V C 0.352 176.478 176.094 0.054 0.000 1.616 83 V CA 0.047 62.390 62.300 0.072 0.000 1.033 83 V CB 0.276 32.124 31.823 0.043 0.000 0.865 83 V HN 0.728 nan 8.190 nan 0.000 0.420 84 N N 1.069 119.811 118.700 0.070 0.000 3.321 84 N HA 0.125 4.865 4.740 0.001 0.000 0.217 84 N C 0.131 175.703 175.510 0.104 0.000 1.405 84 N CA -0.118 52.970 53.050 0.063 0.000 0.799 84 N CB 1.163 39.680 38.487 0.050 0.000 1.619 84 N HN 0.396 nan 8.380 nan 0.000 0.648 85 I N -0.265 120.360 120.570 0.091 0.000 3.434 85 I HA -0.003 4.167 4.170 0.001 0.000 0.308 85 I C 1.035 177.322 176.117 0.282 0.000 1.269 85 I CA 0.555 61.925 61.300 0.117 0.000 1.265 85 I CB -0.030 37.827 38.000 -0.237 0.000 1.005 85 I HN 0.155 nan 8.210 nan 0.000 0.554 86 K N 0.792 121.355 120.400 0.272 0.000 2.314 86 K HA 0.016 4.337 4.320 0.001 0.000 0.198 86 K C 0.245 177.099 176.600 0.423 0.000 1.045 86 K CA 0.224 56.731 56.287 0.367 0.000 0.988 86 K CB 0.137 32.766 32.500 0.214 0.000 0.783 86 K HN 0.426 nan 8.250 nan 0.000 0.484 87 D N 0.179 120.755 120.400 0.293 0.000 2.232 87 D HA 0.260 4.901 4.640 0.001 0.000 0.242 87 D C -0.552 175.874 176.300 0.209 0.000 1.093 87 D CA -0.487 53.588 54.000 0.126 0.000 0.845 87 D CB 0.442 41.271 40.800 0.049 0.000 1.124 87 D HN -0.018 nan 8.370 nan 0.000 0.467 88 F N 0.150 120.048 119.950 -0.087 0.000 3.485 88 F HA 0.484 5.012 4.527 0.001 0.000 0.328 88 F C -1.875 173.798 175.800 -0.212 0.000 1.111 88 F CA -1.004 56.850 58.000 -0.244 0.000 0.847 88 F CB 0.779 39.491 39.000 -0.480 0.000 1.558 88 F HN 0.250 nan 8.300 nan 0.000 0.491 89 Q N 0.493 120.299 119.800 0.011 0.000 2.379 89 Q HA 0.523 4.863 4.340 0.001 0.000 0.278 89 Q C -2.004 174.147 176.000 0.253 0.000 1.068 89 Q CA -1.265 54.559 55.803 0.034 0.000 0.816 89 Q CB 3.557 32.282 28.738 -0.022 0.000 1.387 89 Q HN 0.648 nan 8.270 nan 0.000 0.413 90 K N 0.932 121.499 120.400 0.278 0.000 2.541 90 K HA 0.526 4.846 4.320 0.001 0.000 0.250 90 K C -1.136 175.527 176.600 0.105 0.000 0.950 90 K CA -0.549 55.800 56.287 0.102 0.000 0.805 90 K CB 1.245 33.718 32.500 -0.045 0.000 1.166 90 K HN 0.488 nan 8.250 nan 0.000 0.430 91 I N 4.003 124.597 120.570 0.041 0.000 2.269 91 I HA 0.063 4.234 4.170 0.001 0.000 0.293 91 I C -0.240 175.882 176.117 0.007 0.000 1.106 91 I CA -1.098 60.150 61.300 -0.086 0.000 1.248 91 I CB 1.312 39.093 38.000 -0.365 0.000 1.444 91 I HN 0.456 nan 8.210 nan 0.000 0.497 92 V N 6.781 126.738 119.914 0.071 0.000 2.400 92 V HA -0.118 4.003 4.120 0.001 0.000 0.263 92 V C -0.190 175.900 176.094 -0.006 0.000 1.026 92 V CA 0.162 62.467 62.300 0.008 0.000 1.077 92 V CB -0.322 31.549 31.823 0.080 0.000 1.054 92 V HN 0.664 nan 8.190 nan 0.000 0.477 93 W N 10.622 131.732 121.300 -0.316 0.000 2.165 93 W HA 0.488 5.149 4.660 0.001 0.000 0.288 93 W C -2.401 173.959 176.519 -0.265 0.000 0.900 93 W CA -3.037 54.175 57.345 -0.222 0.000 1.914 93 W CB 0.619 29.975 29.460 -0.174 0.000 2.091 93 W HN 0.405 nan 8.180 nan 0.000 0.399 94 P HA 0.298 nan 4.420 nan 0.000 0.312 94 P C -0.919 176.232 177.300 -0.247 0.000 1.308 94 P CA -0.188 62.722 63.100 -0.316 0.000 0.743 94 P CB 2.195 33.747 31.700 -0.248 0.000 1.364 95 V N -0.565 119.214 119.914 -0.225 0.000 2.919 95 V HA 0.351 4.472 4.120 0.001 0.000 0.316 95 V C 0.210 176.256 176.094 -0.081 0.000 1.077 95 V CA -0.647 61.572 62.300 -0.135 0.000 0.977 95 V CB 1.831 33.556 31.823 -0.165 0.000 1.039 95 V HN 0.828 nan 8.190 nan 0.000 0.441 96 S N 3.880 119.590 115.700 0.017 0.000 2.563 96 S HA 0.063 4.534 4.470 0.001 0.000 0.284 96 S C 0.713 175.326 174.600 0.021 0.000 1.331 96 S CA 0.269 58.501 58.200 0.053 0.000 1.047 96 S CB 0.059 63.331 63.200 0.119 0.000 0.859 96 S HN 0.633 nan 8.310 nan 0.000 0.514 97 Y N 2.360 122.669 120.300 0.014 0.000 2.139 97 Y HA -0.189 4.362 4.550 0.001 0.000 0.282 97 Y C 3.041 178.938 175.900 -0.004 0.000 1.179 97 Y CA 2.246 60.352 58.100 0.009 0.000 1.161 97 Y CB -1.311 37.156 38.460 0.012 0.000 0.970 97 Y HN 0.754 nan 8.280 nan 0.000 0.511 98 T N -0.511 114.134 114.554 0.152 0.000 2.652 98 T HA -0.266 4.085 4.350 0.001 0.000 0.267 98 T C 1.952 176.643 174.700 -0.014 0.000 1.039 98 T CA 1.816 63.937 62.100 0.035 0.000 1.153 98 T CB -0.337 68.534 68.868 0.005 0.000 0.863 98 T HN 0.121 nan 8.240 nan 0.000 0.428 99 R N 0.992 121.490 120.500 -0.003 0.000 2.096 99 R HA -0.003 4.338 4.340 0.001 0.000 0.240 99 R C 2.561 178.859 176.300 -0.004 0.000 1.139 99 R CA 1.496 57.581 56.100 -0.024 0.000 0.952 99 R CB -0.256 30.045 30.300 0.001 0.000 0.854 99 R HN 0.330 nan 8.270 nan 0.000 0.436 100 R N -0.043 120.458 120.500 0.003 0.000 2.094 100 R HA -0.173 4.168 4.340 0.001 0.000 0.239 100 R C 1.842 178.180 176.300 0.063 0.000 1.137 100 R CA 2.097 58.208 56.100 0.018 0.000 0.943 100 R CB -0.523 29.770 30.300 -0.013 0.000 0.850 100 R HN 0.326 nan 8.270 nan 0.000 0.433 101 D N 0.114 120.555 120.400 0.068 0.000 2.104 101 D HA -0.145 4.496 4.640 0.001 0.000 0.194 101 D C 1.785 178.115 176.300 0.050 0.000 0.994 101 D CA 1.278 55.347 54.000 0.115 0.000 0.830 101 D CB -0.114 40.721 40.800 0.059 0.000 0.959 101 D HN 0.327 nan 8.370 nan 0.000 0.452 102 E N -0.189 119.948 120.200 -0.104 0.000 2.085 102 E HA -0.214 4.137 4.350 0.001 0.000 0.194 102 E C 2.143 178.775 176.600 0.054 0.000 0.994 102 E CA 0.939 57.253 56.400 -0.142 0.000 0.801 102 E CB -0.261 29.342 29.700 -0.162 0.000 0.743 102 E HN 0.325 nan 8.360 nan 0.000 0.453 103 c N 1.462 120.119 118.600 0.095 0.000 2.440 103 c HA -0.090 4.481 4.570 0.001 0.000 0.278 103 c C 2.625 176.790 174.090 0.124 0.000 1.295 103 c CA 0.814 57.224 56.329 0.135 0.000 1.738 103 c CB -0.646 41.943 42.510 0.131 0.000 1.987 103 c HN 0.337 nan 8.230 nan 0.000 0.492 104 K N -0.689 119.811 120.400 0.167 0.000 1.991 104 K HA -0.203 4.118 4.320 0.001 0.000 0.212 104 K C 1.874 178.614 176.600 0.232 0.000 1.049 104 K CA 2.185 58.581 56.287 0.182 0.000 0.932 104 K CB -0.551 32.089 32.500 0.232 0.000 0.717 104 K HN 0.656 nan 8.250 nan 0.000 0.441 105 W N 0.583 121.883 121.300 -0.000 0.000 2.359 105 W HA -0.099 4.561 4.660 0.001 0.000 0.275 105 W C 2.075 178.590 176.519 -0.007 0.000 1.217 105 W CA 1.146 58.487 57.345 -0.005 0.000 1.196 105 W CB -0.562 28.893 29.460 -0.008 0.000 1.129 105 W HN 0.252 nan 8.180 nan 0.000 0.566 106 A N -0.220 122.733 122.820 0.221 0.000 2.235 106 A HA 0.381 4.701 4.320 0.001 0.000 0.208 106 A C 1.863 179.489 177.584 0.071 0.000 1.172 106 A CA 0.986 53.113 52.037 0.151 0.000 0.786 106 A CB -0.979 18.148 19.000 0.212 0.000 0.804 106 A HN 0.628 nan 8.150 nan 0.000 0.479 107 G N -0.801 108.024 108.800 0.041 0.000 2.198 107 G HA2 -0.244 3.716 3.960 0.001 0.000 0.257 107 G HA3 -0.244 3.716 3.960 0.001 0.000 0.257 107 G C 0.112 174.980 174.900 -0.054 0.000 1.042 107 G CA 0.762 45.857 45.100 -0.008 0.000 0.791 107 G HN 0.517 nan 8.290 nan 0.000 0.502 108 K N 0.056 120.406 120.400 -0.084 0.000 2.210 108 K HA 0.499 4.820 4.320 0.001 0.000 0.236 108 K C 0.204 176.759 176.600 -0.075 0.000 1.016 108 K CA -0.921 55.270 56.287 -0.161 0.000 0.913 108 K CB 0.554 32.847 32.500 -0.345 0.000 1.141 108 K HN 0.091 nan 8.250 nan 0.000 0.462 109 D N 1.551 121.912 120.400 -0.064 0.000 2.342 109 D HA 0.010 4.651 4.640 0.001 0.000 0.260 109 D C 0.985 177.302 176.300 0.028 0.000 1.278 109 D CA 0.111 54.108 54.000 -0.006 0.000 0.910 109 D CB 0.552 41.357 40.800 0.009 0.000 1.079 109 D HN 0.290 nan 8.370 nan 0.000 0.496 110 I N 3.494 124.082 120.570 0.030 0.000 2.145 110 I HA -0.317 3.853 4.170 0.001 0.000 0.244 110 I C 2.285 178.437 176.117 0.059 0.000 1.075 110 I CA 1.429 62.755 61.300 0.044 0.000 1.332 110 I CB -0.179 37.843 38.000 0.037 0.000 1.033 110 I HN 0.512 nan 8.210 nan 0.000 0.410 111 L N -1.035 120.227 121.223 0.065 0.000 2.253 111 L HA -0.025 4.315 4.340 0.001 0.000 0.205 111 L C 2.303 179.265 176.870 0.154 0.000 1.078 111 L CA 0.719 55.608 54.840 0.082 0.000 0.805 111 L CB -0.348 41.749 42.059 0.063 0.000 0.963 111 L HN 0.094 nan 8.230 nan 0.000 0.459 112 K N -0.169 120.317 120.400 0.143 0.000 2.186 112 K HA -0.047 4.274 4.320 0.001 0.000 0.202 112 K C 1.538 178.267 176.600 0.215 0.000 1.052 112 K CA 0.963 57.353 56.287 0.172 0.000 0.965 112 K CB 0.265 32.809 32.500 0.072 0.000 0.746 112 K HN 0.334 nan 8.250 nan 0.000 0.457 113 E N -0.452 119.867 120.200 0.200 0.000 2.288 113 E HA 0.062 4.413 4.350 0.001 0.000 0.200 113 E C 0.284 177.096 176.600 0.354 0.000 0.880 113 E CA 0.026 56.578 56.400 0.253 0.000 0.971 113 E CB 0.490 30.257 29.700 0.111 0.000 0.954 113 E HN 0.071 nan 8.360 nan 0.000 0.489 114 c N 2.751 121.474 118.600 0.204 0.000 3.329 114 c HA 0.560 5.130 4.570 0.001 0.000 0.537 114 c C 0.571 174.712 174.090 0.085 0.000 1.034 114 c CA -0.377 56.042 56.329 0.150 0.000 1.086 114 c CB -2.307 40.252 42.510 0.082 0.000 1.392 114 c HN 0.267 nan 8.230 nan 0.000 0.612 115 A N 1.597 124.480 122.820 0.105 0.000 2.602 115 A HA 0.692 5.013 4.320 0.001 0.000 0.290 115 A C -0.686 176.732 177.584 -0.276 0.000 1.114 115 A CA -0.590 51.327 52.037 -0.199 0.000 0.683 115 A CB 0.746 19.459 19.000 -0.478 0.000 1.281 115 A HN 0.326 nan 8.150 nan 0.000 0.416 116 N N 0.551 118.952 118.700 -0.498 0.000 2.767 116 N HA 0.457 5.198 4.740 0.001 0.000 0.238 116 N C -1.650 173.531 175.510 -0.548 0.000 1.083 116 N CA -0.152 52.584 53.050 -0.523 0.000 0.964 116 N CB -0.638 37.399 38.487 -0.750 0.000 1.252 116 N HN 0.369 nan 8.380 nan 0.000 0.512 117 F N 3.204 123.006 119.950 -0.247 0.000 2.434 117 F HA 0.291 4.818 4.527 0.001 0.000 0.358 117 F C 0.588 176.279 175.800 -0.182 0.000 1.136 117 F CA -0.799 57.099 58.000 -0.170 0.000 1.157 117 F CB 0.143 39.087 39.000 -0.093 0.000 1.167 117 F HN 0.218 nan 8.300 nan 0.000 0.539 118 I N 5.260 125.808 120.570 -0.037 0.000 2.662 118 I HA -0.037 4.133 4.170 0.001 0.000 0.285 118 I C 1.147 177.311 176.117 0.079 0.000 1.161 118 I CA 0.444 61.737 61.300 -0.012 0.000 1.415 118 I CB 0.368 38.415 38.000 0.079 0.000 1.385 118 I HN 0.455 nan 8.210 nan 0.000 0.552 119 K N 4.501 124.922 120.400 0.036 0.000 2.391 119 K HA 0.343 4.664 4.320 0.001 0.000 0.197 119 K C -0.389 176.251 176.600 0.067 0.000 1.087 119 K CA 0.393 56.717 56.287 0.063 0.000 1.012 119 K CB 0.718 33.226 32.500 0.013 0.000 0.925 119 K HN 0.342 nan 8.250 nan 0.000 0.547 120 V N 1.714 121.650 119.914 0.036 0.000 2.656 120 V HA 0.499 4.620 4.120 0.001 0.000 0.307 120 V C -0.707 175.417 176.094 0.050 0.000 1.051 120 V CA -0.808 61.515 62.300 0.039 0.000 0.893 120 V CB 2.723 34.535 31.823 -0.019 0.000 0.999 120 V HN 0.017 nan 8.190 nan 0.000 0.426 121 L N 4.038 125.315 121.223 0.091 0.000 2.727 121 L HA 0.493 4.833 4.340 0.001 0.000 0.255 121 L C -1.058 175.877 176.870 0.108 0.000 0.983 121 L CA -0.048 54.852 54.840 0.100 0.000 0.945 121 L CB 1.493 43.651 42.059 0.165 0.000 1.242 121 L HN 0.666 nan 8.230 nan 0.000 0.449 122 E N 1.509 121.776 120.200 0.113 0.000 2.431 122 E HA 0.698 5.049 4.350 0.001 0.000 0.268 122 E C -0.661 176.019 176.600 0.133 0.000 0.953 122 E CA -0.730 55.746 56.400 0.127 0.000 0.810 122 E CB 2.287 32.086 29.700 0.165 0.000 1.369 122 E HN 0.515 nan 8.360 nan 0.000 0.440 123 A N 0.248 123.146 122.820 0.130 0.000 2.302 123 A HA 0.471 4.791 4.320 0.001 0.000 0.285 123 A C -0.872 176.867 177.584 0.259 0.000 1.105 123 A CA 0.051 52.173 52.037 0.142 0.000 0.816 123 A CB 0.474 19.526 19.000 0.086 0.000 1.067 123 A HN 0.645 nan 8.150 nan 0.000 0.489 124 Y N 1.246 121.612 120.300 0.111 0.000 2.639 124 Y HA 0.259 4.809 4.550 0.001 0.000 0.105 124 Y C 0.734 176.693 175.900 0.098 0.000 0.906 124 Y CA -0.368 57.802 58.100 0.116 0.000 1.834 124 Y CB -0.196 38.374 38.460 0.182 0.000 1.159 124 Y HN 0.674 nan 8.280 nan 0.000 0.238 125 N N 1.137 119.808 118.700 -0.048 0.000 2.235 125 N HA -0.056 4.685 4.740 0.001 0.000 0.231 125 N C 0.357 175.863 175.510 -0.007 0.000 1.330 125 N CA 0.420 53.390 53.050 -0.133 0.000 0.898 125 N CB 0.372 38.872 38.487 0.021 0.000 1.151 125 N HN 0.449 nan 8.380 nan 0.000 0.472 126 Q N -0.431 119.354 119.800 -0.024 0.000 2.444 126 Q HA 0.035 4.375 4.340 0.001 0.000 0.206 126 Q C 0.716 176.688 176.000 -0.047 0.000 0.948 126 Q CA 0.866 56.664 55.803 -0.008 0.000 0.946 126 Q CB 0.035 28.782 28.738 0.015 0.000 1.027 126 Q HN 0.777 nan 8.270 nan 0.000 0.513 127 T N -4.450 110.083 114.554 -0.036 0.000 3.087 127 T HA 0.282 4.633 4.350 0.001 0.000 0.283 127 T C -0.416 174.172 174.700 -0.186 0.000 0.956 127 T CA -0.437 61.569 62.100 -0.157 0.000 0.894 127 T CB 0.043 68.684 68.868 -0.378 0.000 1.160 127 T HN 0.097 nan 8.240 nan 0.000 0.532 128 H N -0.247 118.842 119.070 0.031 0.000 2.851 128 H HA 0.765 5.321 4.556 0.001 0.000 0.372 128 H C -1.358 174.087 175.328 0.196 0.000 1.158 128 H CA -0.858 55.268 56.048 0.130 0.000 1.159 128 H CB 1.339 31.224 29.762 0.205 0.000 1.757 128 H HN -0.008 nan 8.280 nan 0.000 0.546 129 L N 1.373 122.760 121.223 0.273 0.000 2.334 129 L HA 0.337 4.677 4.340 0.001 0.000 0.270 129 L C -0.893 176.126 176.870 0.247 0.000 1.018 129 L CA -0.732 54.222 54.840 0.191 0.000 0.811 129 L CB 0.673 42.739 42.059 0.013 0.000 1.271 129 L HN 0.574 nan 8.230 nan 0.000 0.443 130 Y N 1.536 121.840 120.300 0.008 0.000 2.335 130 Y HA 0.740 5.290 4.550 0.001 0.000 0.338 130 Y C -0.412 175.423 175.900 -0.108 0.000 0.977 130 Y CA -1.110 56.881 58.100 -0.181 0.000 1.114 130 Y CB 1.422 39.743 38.460 -0.231 0.000 1.182 130 Y HN 0.610 nan 8.280 nan 0.000 0.463 131 A N 4.675 127.168 122.820 -0.545 0.000 2.393 131 A HA 0.817 5.138 4.320 0.001 0.000 0.306 131 A C -1.418 175.928 177.584 -0.397 0.000 1.050 131 A CA -0.486 51.364 52.037 -0.311 0.000 0.724 131 A CB 0.481 19.448 19.000 -0.055 0.000 1.248 131 A HN 0.764 nan 8.150 nan 0.000 0.424 132 C N 0.541 119.706 119.300 -0.226 0.000 2.802 132 C HA 1.040 5.501 4.460 0.001 0.000 0.307 132 C C 0.630 175.537 174.990 -0.137 0.000 1.222 132 C CA -0.066 58.831 59.018 -0.202 0.000 1.580 132 C CB 1.555 29.132 27.740 -0.272 0.000 2.119 132 C HN 1.455 nan 8.230 nan 0.000 0.479 133 G N 0.169 108.822 108.800 -0.244 0.000 2.608 133 G HA2 0.645 4.606 3.960 0.001 0.000 0.291 133 G HA3 0.645 4.606 3.960 0.001 0.000 0.291 133 G C -0.823 173.876 174.900 -0.335 0.000 1.425 133 G CA -0.290 44.636 45.100 -0.289 0.000 0.787 133 G HN 0.893 nan 8.290 nan 0.000 0.484 134 T N -1.385 113.020 114.554 -0.248 0.000 2.752 134 T HA 0.492 4.843 4.350 0.001 0.000 0.295 134 T C 0.922 175.472 174.700 -0.249 0.000 0.923 134 T CA 0.347 62.300 62.100 -0.246 0.000 1.112 134 T CB 1.213 70.017 68.868 -0.106 0.000 0.884 134 T HN 1.263 nan 8.240 nan 0.000 0.525 135 G N 2.611 111.244 108.800 -0.279 0.000 3.636 135 G HA2 0.493 4.454 3.960 0.001 0.000 0.260 135 G HA3 0.493 4.454 3.960 0.001 0.000 0.260 135 G C 0.715 175.598 174.900 -0.028 0.000 1.014 135 G CA -0.444 44.516 45.100 -0.233 0.000 1.797 135 G HN 1.805 nan 8.290 nan 0.000 0.637 136 A N 0.733 123.574 122.820 0.034 0.000 2.183 136 A HA -0.128 4.192 4.320 0.001 0.000 0.278 136 A C 0.780 178.600 177.584 0.393 0.000 1.404 136 A CA 0.343 52.506 52.037 0.211 0.000 0.737 136 A CB -2.331 16.743 19.000 0.123 0.000 1.172 136 A HN 1.578 nan 8.150 nan 0.000 0.338 137 F N -1.204 118.811 119.950 0.108 0.000 3.004 137 F HA -0.175 4.353 4.527 0.001 0.000 0.264 137 F C 0.572 176.617 175.800 0.409 0.000 0.979 137 F CA 2.445 60.616 58.000 0.286 0.000 0.896 137 F CB -1.537 37.668 39.000 0.342 0.000 0.813 137 F HN 1.295 nan 8.300 nan 0.000 0.804 138 H N -1.320 117.701 119.070 -0.081 0.000 2.980 138 H HA 0.334 4.891 4.556 0.001 0.000 0.254 138 H C -2.800 172.329 175.328 -0.331 0.000 1.406 138 H CA -1.656 54.309 56.048 -0.138 0.000 1.479 138 H CB 0.756 30.542 29.762 0.040 0.000 2.097 138 H HN -0.186 nan 8.280 nan 0.000 0.658 139 P HA -0.005 nan 4.420 nan 0.000 0.259 139 P C -0.293 176.708 177.300 -0.497 0.000 1.163 139 P CA 0.734 63.481 63.100 -0.588 0.000 0.760 139 P CB 0.175 31.492 31.700 -0.639 0.000 0.762 140 I N 0.761 121.095 120.570 -0.394 0.000 2.865 140 I HA 0.727 4.898 4.170 0.001 0.000 0.302 140 I C -0.926 175.088 176.117 -0.171 0.000 1.140 140 I CA -0.986 60.134 61.300 -0.299 0.000 1.021 140 I CB 2.176 39.955 38.000 -0.368 0.000 1.233 140 I HN 0.211 nan 8.210 nan 0.000 0.427 141 C N 1.769 121.009 119.300 -0.099 0.000 3.044 141 C HA 0.986 5.446 4.460 0.001 0.000 0.315 141 C C 0.202 175.128 174.990 -0.107 0.000 1.320 141 C CA -0.392 58.544 59.018 -0.137 0.000 1.582 141 C CB 1.637 29.134 27.740 -0.405 0.000 2.039 141 C HN 1.061 nan 8.230 nan 0.000 0.466 142 T N -1.405 112.945 114.554 -0.340 0.000 2.661 142 T HA 0.576 4.927 4.350 0.001 0.000 0.305 142 T C -2.252 172.194 174.700 -0.423 0.000 1.535 142 T CA -0.210 61.762 62.100 -0.213 0.000 1.000 142 T CB 0.478 69.269 68.868 -0.128 0.000 1.811 142 T HN 0.594 nan 8.240 nan 0.000 0.471 143 Y N 0.040 120.316 120.300 -0.040 0.000 2.549 143 Y HA 0.777 5.328 4.550 0.001 0.000 0.339 143 Y C -0.010 175.873 175.900 -0.030 0.000 1.053 143 Y CA -1.104 57.017 58.100 0.034 0.000 1.105 143 Y CB 1.538 40.053 38.460 0.092 0.000 1.258 143 Y HN 0.419 nan 8.280 nan 0.000 0.478 144 I N 1.805 122.473 120.570 0.163 0.000 2.466 144 I HA 0.166 4.337 4.170 0.001 0.000 0.279 144 I C -0.385 175.748 176.117 0.027 0.000 1.033 144 I CA -0.692 60.608 61.300 0.000 0.000 1.123 144 I CB 1.166 39.119 38.000 -0.078 0.000 1.237 144 I HN 0.548 nan 8.210 nan 0.000 0.460 145 E N 5.351 125.518 120.200 -0.055 0.000 2.351 145 E HA 0.075 4.426 4.350 0.001 0.000 0.266 145 E C 0.057 176.543 176.600 -0.190 0.000 1.031 145 E CA 0.232 56.384 56.400 -0.413 0.000 0.911 145 E CB 1.432 30.895 29.700 -0.396 0.000 0.986 145 E HN 0.473 nan 8.360 nan 0.000 0.446 146 V N 3.612 123.417 119.914 -0.181 0.000 3.570 146 V HA 0.221 4.341 4.120 0.001 0.000 0.257 146 V C 0.916 176.989 176.094 -0.035 0.000 1.272 146 V CA 0.640 62.951 62.300 0.018 0.000 1.079 146 V CB -0.195 31.685 31.823 0.096 0.000 0.829 146 V HN 0.944 nan 8.190 nan 0.000 0.454 147 G N 0.009 108.702 108.800 -0.179 0.000 2.710 147 G HA2 -0.182 3.779 3.960 0.001 0.000 0.668 147 G HA3 -0.182 3.779 3.960 0.001 0.000 0.668 147 G C 0.121 174.933 174.900 -0.146 0.000 1.320 147 G CA 0.107 45.111 45.100 -0.160 0.000 0.860 147 G HN 0.194 nan 8.290 nan 0.000 0.538 148 H N 0.127 119.176 119.070 -0.035 0.000 2.276 148 H HA 0.041 4.598 4.556 0.001 0.000 0.307 148 H C 1.078 176.464 175.328 0.096 0.000 1.061 148 H CA 1.575 57.605 56.048 -0.030 0.000 1.336 148 H CB -0.058 29.587 29.762 -0.195 0.000 1.396 148 H HN 0.592 nan 8.280 nan 0.000 0.503 149 H N 2.094 121.267 119.070 0.170 0.000 2.620 149 H HA 0.042 4.599 4.556 0.001 0.000 0.313 149 H C -1.304 174.067 175.328 0.073 0.000 1.075 149 H CA -2.058 54.049 56.048 0.098 0.000 1.397 149 H CB 1.581 31.389 29.762 0.077 0.000 1.446 149 H HN 0.271 nan 8.280 nan 0.000 0.493 150 P HA -0.120 nan 4.420 nan 0.000 0.229 150 P C 0.802 178.151 177.300 0.082 0.000 1.160 150 P CA 0.671 63.838 63.100 0.111 0.000 0.777 150 P CB 0.578 32.330 31.700 0.088 0.000 0.814 151 E N 1.606 121.853 120.200 0.078 0.000 2.086 151 E HA -0.151 4.200 4.350 0.001 0.000 0.200 151 E C 0.552 177.186 176.600 0.056 0.000 1.012 151 E CA 1.227 57.655 56.400 0.046 0.000 0.812 151 E CB -0.853 28.862 29.700 0.026 0.000 0.743 151 E HN 0.582 nan 8.360 nan 0.000 0.453 152 D N 2.656 123.108 120.400 0.086 0.000 2.500 152 D HA 0.002 4.643 4.640 0.001 0.000 0.219 152 D C -0.202 176.140 176.300 0.070 0.000 1.137 152 D CA -0.396 53.647 54.000 0.072 0.000 0.946 152 D CB -0.380 40.470 40.800 0.082 0.000 1.022 152 D HN 0.005 nan 8.370 nan 0.000 0.518 153 N N 2.623 121.353 118.700 0.049 0.000 2.349 153 N HA -0.084 4.656 4.740 0.001 0.000 0.296 153 N C -0.110 175.447 175.510 0.077 0.000 1.304 153 N CA 0.221 53.299 53.050 0.047 0.000 1.051 153 N CB 0.284 38.771 38.487 -0.000 0.000 1.466 153 N HN 0.486 nan 8.380 nan 0.000 0.487 154 I N 1.592 122.225 120.570 0.106 0.000 2.325 154 I HA 0.193 4.364 4.170 0.001 0.000 0.291 154 I C -0.091 176.170 176.117 0.239 0.000 1.019 154 I CA -0.545 60.828 61.300 0.121 0.000 1.302 154 I CB 0.401 38.438 38.000 0.061 0.000 1.401 154 I HN 0.344 nan 8.210 nan 0.000 0.485 155 F N 7.329 127.290 119.950 0.018 0.000 2.597 155 F HA 0.327 4.854 4.527 0.001 0.000 0.336 155 F C 0.305 176.113 175.800 0.013 0.000 1.432 155 F CA -0.796 57.227 58.000 0.038 0.000 1.120 155 F CB 0.336 39.355 39.000 0.032 0.000 1.253 155 F HN 0.383 nan 8.300 nan 0.000 0.546 156 K N 2.946 123.309 120.400 -0.062 0.000 2.156 156 K HA 0.348 4.668 4.320 0.001 0.000 0.271 156 K C -1.265 175.221 176.600 -0.191 0.000 0.995 156 K CA -0.657 55.558 56.287 -0.120 0.000 0.890 156 K CB 1.239 33.709 32.500 -0.050 0.000 1.073 156 K HN 0.332 nan 8.250 nan 0.000 0.454 157 L N 4.899 125.995 121.223 -0.211 0.000 2.275 157 L HA 0.236 4.577 4.340 0.001 0.000 0.288 157 L C -0.641 176.149 176.870 -0.132 0.000 1.046 157 L CA -0.044 54.656 54.840 -0.233 0.000 0.805 157 L CB 1.401 43.273 42.059 -0.313 0.000 1.193 157 L HN 0.820 nan 8.230 nan 0.000 0.426 158 Q N 3.591 123.367 119.800 -0.040 0.000 2.472 158 Q HA 0.089 4.429 4.340 0.001 0.000 0.227 158 Q C -0.617 175.366 176.000 -0.029 0.000 1.156 158 Q CA -0.228 55.624 55.803 0.082 0.000 0.924 158 Q CB 0.838 29.766 28.738 0.317 0.000 1.354 158 Q HN 0.580 nan 8.270 nan 0.000 0.525 159 D N 0.135 120.390 120.400 -0.242 0.000 2.380 159 D HA 0.008 4.648 4.640 0.001 0.000 0.254 159 D C 0.831 176.673 176.300 -0.762 0.000 1.288 159 D CA 1.193 54.927 54.000 -0.443 0.000 1.008 159 D CB 0.618 41.225 40.800 -0.322 0.000 1.099 159 D HN 0.482 nan 8.370 nan 0.000 0.537 160 S N -1.768 113.406 115.700 -0.876 0.000 2.378 160 S HA -0.361 4.109 4.470 0.001 0.000 0.240 160 S C 1.290 175.506 174.600 -0.640 0.000 1.229 160 S CA 1.759 59.517 58.200 -0.737 0.000 1.607 160 S CB -1.855 61.022 63.200 -0.538 0.000 2.074 160 S HN 0.633 nan 8.310 nan 0.000 0.620 161 H N 1.280 120.143 119.070 -0.346 0.000 2.281 161 H HA 0.370 4.927 4.556 0.001 0.000 0.310 161 H C 1.173 176.537 175.328 0.061 0.000 1.052 161 H CA 0.799 56.793 56.048 -0.089 0.000 1.331 161 H CB -0.844 28.944 29.762 0.043 0.000 1.419 161 H HN 0.718 nan 8.280 nan 0.000 0.518 162 F N 1.390 121.443 119.950 0.171 0.000 2.086 162 F HA -0.225 4.302 4.527 0.001 0.000 0.393 162 F C 0.229 176.084 175.800 0.091 0.000 1.154 162 F CA -0.204 57.861 58.000 0.109 0.000 1.298 162 F CB -0.494 38.568 39.000 0.104 0.000 2.015 162 F HN 0.316 nan 8.300 nan 0.000 0.739 163 E N 1.456 121.798 120.200 0.236 0.000 2.232 163 E HA 0.215 4.566 4.350 0.001 0.000 0.265 163 E C -0.175 176.442 176.600 0.029 0.000 1.001 163 E CA -1.214 55.264 56.400 0.130 0.000 0.870 163 E CB 1.063 30.846 29.700 0.137 0.000 1.175 163 E HN 0.445 nan 8.360 nan 0.000 0.407 164 N N -0.211 118.487 118.700 -0.003 0.000 2.447 164 N HA -0.001 4.740 4.740 0.001 0.000 0.263 164 N C 0.619 176.051 175.510 -0.129 0.000 1.226 164 N CA 0.372 53.372 53.050 -0.083 0.000 0.906 164 N CB 0.827 39.279 38.487 -0.059 0.000 1.060 164 N HN 0.556 nan 8.380 nan 0.000 0.468 165 G N 2.714 111.376 108.800 -0.231 0.000 2.838 165 G HA2 -0.044 3.917 3.960 0.001 0.000 0.210 165 G HA3 -0.044 3.917 3.960 0.001 0.000 0.210 165 G C 0.481 175.201 174.900 -0.300 0.000 1.153 165 G CA -0.212 44.728 45.100 -0.266 0.000 0.778 165 G HN 0.505 nan 8.290 nan 0.000 0.539 166 R N 0.171 120.495 120.500 -0.292 0.000 2.494 166 R HA 0.364 4.704 4.340 0.001 0.000 0.291 166 R C 1.535 177.552 176.300 -0.471 0.000 0.953 166 R CA 1.379 57.303 56.100 -0.293 0.000 1.098 166 R CB 0.153 30.355 30.300 -0.165 0.000 0.911 166 R HN 0.350 nan 8.270 nan 0.000 0.407 167 G N 2.149 110.599 108.800 -0.584 0.000 2.205 167 G HA2 -0.365 3.595 3.960 0.001 0.000 0.261 167 G HA3 -0.365 3.595 3.960 0.001 0.000 0.261 167 G C 0.678 175.278 174.900 -0.501 0.000 0.980 167 G CA 0.711 45.225 45.100 -0.977 0.000 0.632 167 G HN 0.597 nan 8.290 nan 0.000 0.533 168 K N -0.681 119.534 120.400 -0.310 0.000 2.325 168 K HA 0.391 4.711 4.320 0.001 0.000 0.203 168 K C 0.931 177.451 176.600 -0.133 0.000 1.128 168 K CA 0.830 57.027 56.287 -0.149 0.000 0.931 168 K CB 0.692 33.132 32.500 -0.099 0.000 1.125 168 K HN 0.296 nan 8.250 nan 0.000 0.487 169 S N 1.837 117.419 115.700 -0.197 0.000 2.521 169 S HA 0.398 4.868 4.470 0.001 0.000 0.295 169 S C -2.773 171.681 174.600 -0.244 0.000 1.098 169 S CA -2.058 56.031 58.200 -0.186 0.000 0.999 169 S CB 1.374 64.447 63.200 -0.213 0.000 1.034 169 S HN -0.124 nan 8.310 nan 0.000 0.483 170 P HA 0.130 nan 4.420 nan 0.000 0.273 170 P C -0.074 177.019 177.300 -0.344 0.000 1.250 170 P CA -0.210 62.766 63.100 -0.208 0.000 0.793 170 P CB 0.530 32.151 31.700 -0.130 0.000 1.011 171 Y N -1.311 118.692 120.300 -0.496 0.000 2.269 171 Y HA 0.002 4.552 4.550 0.001 0.000 0.294 171 Y C 1.525 176.686 175.900 -1.231 0.000 1.120 171 Y CA 1.269 58.872 58.100 -0.828 0.000 1.159 171 Y CB -0.159 37.722 38.460 -0.965 0.000 1.024 171 Y HN 0.278 nan 8.280 nan 0.000 0.532 172 D N 1.238 121.191 120.400 -0.746 0.000 2.312 172 D HA 0.054 4.695 4.640 0.001 0.000 0.252 172 D C -1.782 174.356 176.300 -0.270 0.000 1.150 172 D CA -2.088 51.627 54.000 -0.475 0.000 0.870 172 D CB 1.546 42.230 40.800 -0.193 0.000 1.153 172 D HN 0.059 nan 8.370 nan 0.000 0.457 173 P HA -0.102 nan 4.420 nan 0.000 0.222 173 P C 0.852 178.011 177.300 -0.235 0.000 1.147 173 P CA 0.746 63.622 63.100 -0.373 0.000 0.790 173 P CB 0.495 31.632 31.700 -0.938 0.000 0.780 174 K N -0.656 119.654 120.400 -0.150 0.000 2.283 174 K HA 0.026 4.346 4.320 0.001 0.000 0.202 174 K C 1.042 177.629 176.600 -0.022 0.000 1.048 174 K CA 0.416 56.657 56.287 -0.075 0.000 0.948 174 K CB -0.241 32.239 32.500 -0.033 0.000 0.742 174 K HN 0.240 nan 8.250 nan 0.000 0.458 175 L N 1.739 122.960 121.223 -0.003 0.000 2.350 175 L HA 0.263 4.603 4.340 0.001 0.000 0.275 175 L C 0.238 177.151 176.870 0.073 0.000 1.099 175 L CA -0.524 54.367 54.840 0.084 0.000 0.808 175 L CB 0.828 42.965 42.059 0.130 0.000 1.149 175 L HN -0.021 nan 8.230 nan 0.000 0.442 176 L N 1.122 122.422 121.223 0.129 0.000 2.578 176 L HA 0.664 5.005 4.340 0.001 0.000 0.259 176 L C -0.167 176.812 176.870 0.182 0.000 1.082 176 L CA -0.531 54.383 54.840 0.123 0.000 0.843 176 L CB 1.708 43.833 42.059 0.109 0.000 1.535 176 L HN 0.503 nan 8.230 nan 0.000 0.510 177 T N 0.209 114.863 114.554 0.166 0.000 3.032 177 T HA 0.525 4.876 4.350 0.001 0.000 0.312 177 T C -0.998 173.808 174.700 0.177 0.000 1.078 177 T CA -0.499 61.701 62.100 0.166 0.000 1.028 177 T CB 1.729 70.648 68.868 0.086 0.000 1.091 177 T HN 0.594 nan 8.240 nan 0.000 0.457 178 A N 2.958 125.910 122.820 0.220 0.000 2.294 178 A HA 0.680 5.000 4.320 0.001 0.000 0.316 178 A C 0.513 178.163 177.584 0.109 0.000 1.359 178 A CA -0.574 51.571 52.037 0.180 0.000 0.956 178 A CB -0.078 19.107 19.000 0.308 0.000 1.155 178 A HN 0.822 nan 8.150 nan 0.000 0.544 179 S N 3.047 118.784 115.700 0.062 0.000 2.593 179 S HA 0.813 5.283 4.470 0.001 0.000 0.297 179 S C -0.633 173.976 174.600 0.015 0.000 1.112 179 S CA -0.749 57.503 58.200 0.086 0.000 1.043 179 S CB 1.661 64.928 63.200 0.111 0.000 1.054 179 S HN 1.081 nan 8.310 nan 0.000 0.516 180 L N 3.095 124.373 121.223 0.092 0.000 2.596 180 L HA 0.510 4.851 4.340 0.001 0.000 0.265 180 L C -2.078 174.910 176.870 0.196 0.000 0.962 180 L CA -0.489 54.375 54.840 0.041 0.000 0.891 180 L CB 1.359 43.342 42.059 -0.127 0.000 1.248 180 L HN 0.967 nan 8.230 nan 0.000 0.410 181 L N 7.323 128.649 121.223 0.172 0.000 2.295 181 L HA 0.596 4.937 4.340 0.001 0.000 0.281 181 L C -0.493 176.492 176.870 0.192 0.000 1.018 181 L CA -0.423 54.560 54.840 0.238 0.000 0.841 181 L CB 1.092 43.294 42.059 0.238 0.000 1.218 181 L HN 0.642 nan 8.230 nan 0.000 0.424 182 I N 0.537 121.239 120.570 0.221 0.000 2.608 182 I HA 0.503 4.674 4.170 0.001 0.000 0.295 182 I C -0.452 175.783 176.117 0.196 0.000 1.049 182 I CA -0.731 60.664 61.300 0.157 0.000 1.063 182 I CB 1.927 39.973 38.000 0.076 0.000 1.248 182 I HN 0.440 nan 8.210 nan 0.000 0.424 183 D N 3.948 124.427 120.400 0.131 0.000 2.882 183 D HA -0.211 4.430 4.640 0.001 0.000 0.229 183 D C 1.180 177.557 176.300 0.129 0.000 1.167 183 D CA 1.909 55.976 54.000 0.113 0.000 0.759 183 D CB -0.931 39.951 40.800 0.136 0.000 1.088 183 D HN 1.421 nan 8.370 nan 0.000 0.425 184 G N -0.431 108.456 108.800 0.144 0.000 2.157 184 G HA2 -0.301 3.659 3.960 0.001 0.000 0.248 184 G HA3 -0.301 3.659 3.960 0.001 0.000 0.248 184 G C -0.020 175.088 174.900 0.346 0.000 0.979 184 G CA 0.479 45.719 45.100 0.235 0.000 0.650 184 G HN 0.478 nan 8.290 nan 0.000 0.529 185 E N -0.068 120.307 120.200 0.292 0.000 2.212 185 E HA 0.583 4.933 4.350 0.001 0.000 0.268 185 E C -0.645 176.120 176.600 0.275 0.000 0.902 185 E CA -1.011 55.533 56.400 0.240 0.000 0.779 185 E CB 2.393 32.247 29.700 0.256 0.000 1.172 185 E HN 0.081 nan 8.360 nan 0.000 0.409 186 L N 3.591 124.900 121.223 0.143 0.000 2.289 186 L HA 0.371 4.712 4.340 0.001 0.000 0.285 186 L C -1.481 175.509 176.870 0.199 0.000 1.049 186 L CA -0.449 54.517 54.840 0.211 0.000 0.804 186 L CB 0.149 42.290 42.059 0.137 0.000 1.195 186 L HN 0.602 nan 8.230 nan 0.000 0.428 187 Y N 2.977 123.418 120.300 0.235 0.000 2.328 187 Y HA 0.458 5.009 4.550 0.001 0.000 0.336 187 Y C 0.254 176.371 175.900 0.362 0.000 0.960 187 Y CA -0.626 57.676 58.100 0.338 0.000 1.134 187 Y CB 1.910 40.603 38.460 0.388 0.000 1.166 187 Y HN 0.571 nan 8.280 nan 0.000 0.464 188 S N 1.242 117.196 115.700 0.422 0.000 2.566 188 S HA 0.786 5.257 4.470 0.001 0.000 0.273 188 S C -0.659 173.963 174.600 0.037 0.000 1.157 188 S CA -0.865 57.504 58.200 0.283 0.000 0.938 188 S CB 1.426 64.715 63.200 0.147 0.000 1.087 188 S HN 0.919 nan 8.310 nan 0.000 0.474 189 G N 1.876 110.583 108.800 -0.155 0.000 2.384 189 G HA2 0.672 4.632 3.960 0.001 0.000 0.316 189 G HA3 0.672 4.632 3.960 0.001 0.000 0.316 189 G C -0.564 173.773 174.900 -0.938 0.000 1.160 189 G CA -0.545 43.864 45.100 -1.151 0.000 0.936 189 G HN 0.911 nan 8.290 nan 0.000 0.455 190 T N 0.186 114.545 114.554 -0.325 0.000 2.661 190 T HA 0.614 4.965 4.350 0.001 0.000 0.305 190 T C -0.560 174.271 174.700 0.218 0.000 1.535 190 T CA -0.218 62.022 62.100 0.232 0.000 1.000 190 T CB 0.808 69.715 68.868 0.064 0.000 1.811 190 T HN 1.015 nan 8.240 nan 0.000 0.471 191 A N 0.161 122.894 122.820 -0.144 0.000 2.289 191 A HA 0.746 5.066 4.320 0.001 0.000 0.298 191 A C 1.125 178.533 177.584 -0.293 0.000 1.208 191 A CA 0.094 51.728 52.037 -0.671 0.000 0.845 191 A CB 0.350 18.639 19.000 -1.184 0.000 1.125 191 A HN 1.058 nan 8.150 nan 0.000 0.517 192 A N 2.240 124.932 122.820 -0.213 0.000 2.030 192 A HA 0.189 4.509 4.320 0.001 0.000 0.215 192 A C 0.865 178.438 177.584 -0.018 0.000 1.164 192 A CA 1.019 52.966 52.037 -0.151 0.000 0.697 192 A CB -0.267 18.648 19.000 -0.143 0.000 0.827 192 A HN 0.859 nan 8.150 nan 0.000 0.457 193 D N -2.275 118.070 120.400 -0.092 0.000 2.432 193 D HA 0.179 4.819 4.640 0.001 0.000 0.258 193 D C 0.728 176.748 176.300 -0.466 0.000 1.146 193 D CA -0.801 53.112 54.000 -0.144 0.000 1.015 193 D CB 0.273 41.010 40.800 -0.106 0.000 1.107 193 D HN 0.048 nan 8.370 nan 0.000 0.529 194 F N 0.136 119.501 119.950 -0.974 0.000 2.113 194 F HA -0.074 4.453 4.527 0.001 0.000 0.297 194 F C 2.252 177.815 175.800 -0.396 0.000 1.103 194 F CA 1.281 58.548 58.000 -1.221 0.000 1.248 194 F CB -0.082 38.480 39.000 -0.730 0.000 0.999 194 F HN 0.083 nan 8.300 nan 0.000 0.475 195 M N 0.368 119.920 119.600 -0.080 0.000 2.539 195 M HA 0.024 4.504 4.480 0.001 0.000 0.261 195 M C 1.622 177.853 176.300 -0.115 0.000 1.069 195 M CA 1.316 56.599 55.300 -0.027 0.000 1.081 195 M CB -1.837 30.789 32.600 0.043 0.000 1.412 195 M HN 0.425 nan 8.290 nan 0.000 0.482 196 G N 2.469 111.133 108.800 -0.226 0.000 2.305 196 G HA2 -0.295 3.665 3.960 0.001 0.000 0.287 196 G HA3 -0.295 3.665 3.960 0.001 0.000 0.287 196 G C 0.648 175.374 174.900 -0.290 0.000 1.036 196 G CA 0.904 45.829 45.100 -0.292 0.000 0.887 196 G HN 0.721 nan 8.290 nan 0.000 0.505 197 R N -0.960 119.415 120.500 -0.207 0.000 2.566 197 R HA 0.329 4.669 4.340 0.001 0.000 0.388 197 R C -0.013 176.255 176.300 -0.053 0.000 0.989 197 R CA 0.161 56.232 56.100 -0.048 0.000 1.164 197 R CB 0.532 30.867 30.300 0.058 0.000 1.459 197 R HN 0.164 nan 8.270 nan 0.000 0.553 198 D N 1.037 121.314 120.400 -0.206 0.000 2.683 198 D HA 0.193 4.834 4.640 0.001 0.000 0.309 198 D C -1.082 175.140 176.300 -0.130 0.000 1.238 198 D CA -0.671 53.222 54.000 -0.177 0.000 0.936 198 D CB -0.196 40.499 40.800 -0.175 0.000 1.001 198 D HN 0.033 nan 8.370 nan 0.000 0.505 199 F N 1.518 121.475 119.950 0.012 0.000 2.484 199 F HA 0.509 5.037 4.527 0.001 0.000 0.360 199 F C 1.042 176.892 175.800 0.084 0.000 1.101 199 F CA 0.128 58.189 58.000 0.102 0.000 1.251 199 F CB 1.151 40.246 39.000 0.157 0.000 1.132 199 F HN 0.239 nan 8.300 nan 0.000 0.570 200 A N 3.756 126.741 122.820 0.275 0.000 2.605 200 A HA 0.665 4.986 4.320 0.001 0.000 0.294 200 A C -1.224 176.342 177.584 -0.030 0.000 1.062 200 A CA -0.753 51.352 52.037 0.112 0.000 0.682 200 A CB 0.915 19.978 19.000 0.105 0.000 1.278 200 A HN 0.611 nan 8.150 nan 0.000 0.410 201 I N 1.635 122.060 120.570 -0.242 0.000 2.312 201 I HA 0.365 4.536 4.170 0.001 0.000 0.291 201 I C -0.884 175.185 176.117 -0.080 0.000 1.031 201 I CA 0.061 61.096 61.300 -0.442 0.000 1.293 201 I CB 0.484 37.959 38.000 -0.877 0.000 1.403 201 I HN 0.532 nan 8.210 nan 0.000 0.484 202 F N 5.554 125.438 119.950 -0.109 0.000 2.541 202 F HA 0.586 5.114 4.527 0.001 0.000 0.331 202 F C 0.445 176.286 175.800 0.067 0.000 1.057 202 F CA -0.690 57.321 58.000 0.018 0.000 0.975 202 F CB 1.350 40.321 39.000 -0.048 0.000 1.246 202 F HN 0.265 nan 8.300 nan 0.000 0.484 203 R N 1.756 122.352 120.500 0.160 0.000 2.576 203 R HA 0.281 4.622 4.340 0.001 0.000 0.283 203 R C -1.059 175.218 176.300 -0.037 0.000 1.493 203 R CA -0.149 55.901 56.100 -0.083 0.000 1.170 203 R CB 1.049 31.224 30.300 -0.208 0.000 1.189 203 R HN 0.909 nan 8.270 nan 0.000 0.542 204 T N -0.330 114.240 114.554 0.028 0.000 2.910 204 T HA 0.639 4.990 4.350 0.001 0.000 0.279 204 T C 0.910 175.597 174.700 -0.022 0.000 0.989 204 T CA -0.646 61.472 62.100 0.030 0.000 0.968 204 T CB 1.038 69.940 68.868 0.056 0.000 1.135 204 T HN 0.475 nan 8.240 nan 0.000 0.562 205 L N -0.883 120.314 121.223 -0.043 0.000 5.621 205 L HA 0.025 4.366 4.340 0.001 0.000 0.281 205 L C 1.102 177.976 176.870 0.005 0.000 1.106 205 L CA 0.572 55.371 54.840 -0.067 0.000 1.259 205 L CB -1.861 40.096 42.059 -0.170 0.000 2.049 205 L HN 1.787 nan 8.230 nan 0.000 0.852 206 G N -0.655 108.191 108.800 0.076 0.000 2.642 206 G HA2 -0.243 3.717 3.960 0.001 0.000 0.231 206 G HA3 -0.243 3.717 3.960 0.001 0.000 0.231 206 G C 0.445 175.414 174.900 0.115 0.000 1.338 206 G CA 1.093 46.279 45.100 0.143 0.000 0.883 206 G HN 1.754 nan 8.290 nan 0.000 0.570 207 H N 0.235 119.348 119.070 0.071 0.000 2.306 207 H HA 0.106 4.663 4.556 0.001 0.000 0.307 207 H C 1.522 176.881 175.328 0.051 0.000 1.061 207 H CA 1.478 57.552 56.048 0.042 0.000 1.359 207 H CB -0.777 28.997 29.762 0.020 0.000 1.407 207 H HN 0.788 nan 8.280 nan 0.000 0.517 208 H N 1.199 119.761 119.070 -0.848 0.000 2.730 208 H HA 0.047 4.604 4.556 0.001 0.000 0.376 208 H C 0.070 175.291 175.328 -0.179 0.000 1.299 208 H CA 0.272 56.032 56.048 -0.480 0.000 1.447 208 H CB 0.110 29.484 29.762 -0.646 0.000 1.493 208 H HN 0.511 nan 8.280 nan 0.000 0.619 209 H N 2.427 120.834 119.070 -1.106 0.000 2.886 209 H HA 0.128 4.685 4.556 0.001 0.000 0.329 209 H C -2.137 172.893 175.328 -0.496 0.000 1.044 209 H CA -1.922 53.710 56.048 -0.694 0.000 1.456 209 H CB 0.325 29.662 29.762 -0.709 0.000 1.464 209 H HN 0.492 nan 8.280 nan 0.000 0.573 210 P HA -0.113 nan 4.420 nan 0.000 0.263 210 P C -0.715 176.328 177.300 -0.429 0.000 1.175 210 P CA 0.487 63.511 63.100 -0.127 0.000 0.761 210 P CB 0.307 32.065 31.700 0.096 0.000 0.794 211 I N 3.386 123.671 120.570 -0.477 0.000 2.488 211 I HA 0.496 4.666 4.170 0.001 0.000 0.299 211 I C 0.800 176.392 176.117 -0.875 0.000 0.984 211 I CA 0.000 60.814 61.300 -0.810 0.000 1.250 211 I CB 0.763 37.980 38.000 -1.304 0.000 1.389 211 I HN 0.261 nan 8.210 nan 0.000 0.488 212 R N 2.157 122.091 120.500 -0.944 0.000 2.799 212 R HA 0.642 4.983 4.340 0.001 0.000 0.270 212 R C -1.108 174.922 176.300 -0.450 0.000 1.010 212 R CA -0.517 55.048 56.100 -0.891 0.000 0.916 212 R CB 2.099 31.738 30.300 -1.102 0.000 1.228 212 R HN 0.797 nan 8.270 nan 0.000 0.469 213 T N -0.755 113.625 114.554 -0.289 0.000 2.918 213 T HA 0.300 4.650 4.350 0.001 0.000 0.283 213 T C 0.076 174.460 174.700 -0.527 0.000 1.001 213 T CA -0.836 61.138 62.100 -0.210 0.000 1.041 213 T CB 1.226 69.985 68.868 -0.181 0.000 1.028 213 T HN 0.376 nan 8.240 nan 0.000 0.511 214 E N 2.176 121.731 120.200 -1.074 0.000 2.529 214 E HA -0.008 4.343 4.350 0.001 0.000 0.259 214 E C 0.468 176.737 176.600 -0.551 0.000 0.966 214 E CA 0.270 56.088 56.400 -0.969 0.000 0.937 214 E CB 0.508 29.236 29.700 -1.619 0.000 0.923 214 E HN 0.785 nan 8.360 nan 0.000 0.468 215 Q N 1.531 121.132 119.800 -0.331 0.000 2.230 215 Q HA 0.258 4.598 4.340 0.001 0.000 0.248 215 Q C -0.705 175.213 176.000 -0.136 0.000 0.915 215 Q CA -0.702 54.949 55.803 -0.254 0.000 0.900 215 Q CB 0.729 29.347 28.738 -0.200 0.000 1.229 215 Q HN 0.572 nan 8.270 nan 0.000 0.439 216 H N -0.911 118.133 119.070 -0.042 0.000 2.770 216 H HA -0.151 4.406 4.556 0.001 0.000 0.309 216 H C -1.427 173.896 175.328 -0.008 0.000 1.206 216 H CA 1.147 57.190 56.048 -0.008 0.000 1.147 216 H CB -1.016 28.737 29.762 -0.014 0.000 1.422 216 H HN 0.695 nan 8.280 nan 0.000 0.420 217 D N -0.552 119.876 120.400 0.047 0.000 2.421 217 D HA 0.290 4.931 4.640 0.001 0.000 0.254 217 D C 0.839 177.262 176.300 0.206 0.000 1.238 217 D CA -0.121 53.936 54.000 0.094 0.000 0.919 217 D CB 1.226 42.003 40.800 -0.038 0.000 1.152 217 D HN 0.145 nan 8.370 nan 0.000 0.552 218 S N 2.692 118.508 115.700 0.193 0.000 2.380 218 S HA -0.213 4.257 4.470 0.001 0.000 0.229 218 S C 1.728 176.486 174.600 0.263 0.000 1.043 218 S CA 1.394 59.716 58.200 0.203 0.000 1.038 218 S CB 0.123 63.425 63.200 0.170 0.000 0.872 218 S HN 0.530 nan 8.310 nan 0.000 0.456 219 R N -1.089 119.598 120.500 0.312 0.000 2.193 219 R HA -0.094 4.247 4.340 0.001 0.000 0.229 219 R C 1.800 178.301 176.300 0.335 0.000 1.110 219 R CA 1.373 57.658 56.100 0.309 0.000 0.988 219 R CB -0.182 30.298 30.300 0.301 0.000 0.871 219 R HN 0.479 nan 8.270 nan 0.000 0.458 220 W N 0.275 121.686 121.300 0.185 0.000 2.560 220 W HA 0.254 4.915 4.660 0.001 0.000 0.303 220 W C 0.422 177.114 176.519 0.289 0.000 1.151 220 W CA 0.409 57.925 57.345 0.286 0.000 1.426 220 W CB 0.187 29.756 29.460 0.183 0.000 1.135 220 W HN -0.154 nan 8.180 nan 0.000 0.522 221 L N 0.880 122.352 121.223 0.415 0.000 2.464 221 L HA 0.303 4.644 4.340 0.001 0.000 0.266 221 L C -0.982 175.994 176.870 0.178 0.000 0.965 221 L CA -0.738 54.249 54.840 0.245 0.000 0.833 221 L CB 1.802 43.954 42.059 0.156 0.000 1.296 221 L HN -0.266 nan 8.230 nan 0.000 0.405 222 N N 2.110 120.885 118.700 0.126 0.000 2.746 222 N HA 0.174 4.915 4.740 0.001 0.000 0.250 222 N C -0.643 174.874 175.510 0.011 0.000 1.146 222 N CA -0.183 52.921 53.050 0.090 0.000 0.828 222 N CB 0.457 39.002 38.487 0.098 0.000 1.158 222 N HN 0.535 nan 8.380 nan 0.000 0.519 223 D N 1.187 121.586 120.400 -0.002 0.000 2.735 223 D HA -0.137 4.504 4.640 0.001 0.000 0.235 223 D C -2.315 173.766 176.300 -0.366 0.000 1.175 223 D CA 0.296 54.221 54.000 -0.124 0.000 0.683 223 D CB -0.009 40.780 40.800 -0.018 0.000 1.008 223 D HN 0.402 nan 8.370 nan 0.000 0.416 224 P HA 0.423 nan 4.420 nan 0.000 0.293 224 P C -0.582 176.185 177.300 -0.888 0.000 1.304 224 P CA -0.499 62.246 63.100 -0.592 0.000 0.767 224 P CB 0.852 32.140 31.700 -0.685 0.000 1.247 225 R N -0.228 119.895 120.500 -0.628 0.000 2.512 225 R HA 0.414 4.754 4.340 0.001 0.000 0.291 225 R C -0.677 175.450 176.300 -0.288 0.000 1.097 225 R CA -0.559 55.314 56.100 -0.378 0.000 0.940 225 R CB 0.256 30.456 30.300 -0.166 0.000 1.198 225 R HN 0.411 nan 8.270 nan 0.000 0.429 226 F N 2.535 122.565 119.950 0.135 0.000 2.380 226 F HA 0.310 4.838 4.527 0.001 0.000 0.325 226 F C 1.791 177.727 175.800 0.226 0.000 1.136 226 F CA -0.341 57.812 58.000 0.256 0.000 1.171 226 F CB 0.729 39.890 39.000 0.269 0.000 1.230 226 F HN 0.306 nan 8.300 nan 0.000 0.554 227 I N -0.665 120.172 120.570 0.445 0.000 3.739 227 I HA 0.141 4.311 4.170 0.001 0.000 0.272 227 I C 0.323 176.603 176.117 0.271 0.000 1.167 227 I CA 0.552 62.022 61.300 0.283 0.000 1.386 227 I CB -0.190 37.937 38.000 0.212 0.000 1.490 227 I HN 0.582 nan 8.210 nan 0.000 0.452 228 S N 0.297 116.207 115.700 0.350 0.000 2.615 228 S HA 0.831 5.301 4.470 0.001 0.000 0.268 228 S C -1.317 173.320 174.600 0.063 0.000 1.146 228 S CA -0.320 57.999 58.200 0.197 0.000 0.818 228 S CB 2.326 65.684 63.200 0.263 0.000 1.111 228 S HN 0.380 nan 8.310 nan 0.000 0.465 229 A N 1.288 123.888 122.820 -0.367 0.000 2.427 229 A HA 0.814 5.135 4.320 0.001 0.000 0.298 229 A C -1.147 176.082 177.584 -0.591 0.000 1.036 229 A CA -0.652 50.981 52.037 -0.673 0.000 0.701 229 A CB 1.028 19.113 19.000 -1.525 0.000 1.250 229 A HN 0.858 nan 8.150 nan 0.000 0.412 230 H N 2.262 121.289 119.070 -0.071 0.000 2.768 230 H HA 0.359 4.916 4.556 0.001 0.000 0.371 230 H C -1.251 174.087 175.328 0.016 0.000 1.151 230 H CA -0.769 55.286 56.048 0.013 0.000 1.165 230 H CB 2.249 32.084 29.762 0.122 0.000 1.722 230 H HN 0.529 nan 8.280 nan 0.000 0.543 231 L N 4.751 126.020 121.223 0.075 0.000 2.282 231 L HA 0.359 4.700 4.340 0.001 0.000 0.287 231 L C -0.785 176.154 176.870 0.115 0.000 1.075 231 L CA -0.118 54.743 54.840 0.035 0.000 0.839 231 L CB -0.836 41.206 42.059 -0.027 0.000 1.219 231 L HN 0.541 nan 8.230 nan 0.000 0.434 232 I N 8.140 128.822 120.570 0.185 0.000 2.355 232 I HA 0.341 4.512 4.170 0.001 0.000 0.288 232 I C -2.077 174.136 176.117 0.161 0.000 0.999 232 I CA -1.845 59.569 61.300 0.191 0.000 1.163 232 I CB 2.087 40.244 38.000 0.262 0.000 1.316 232 I HN 0.439 nan 8.210 nan 0.000 0.454 233 P HA 0.125 nan 4.420 nan 0.000 0.276 233 P C -0.286 177.069 177.300 0.092 0.000 1.230 233 P CA -0.100 63.051 63.100 0.085 0.000 0.776 233 P CB 1.479 33.217 31.700 0.063 0.000 0.888 234 E N 0.953 121.206 120.200 0.088 0.000 2.340 234 E HA 0.047 4.398 4.350 0.001 0.000 0.194 234 E C 0.962 177.601 176.600 0.064 0.000 0.996 234 E CA 0.734 57.185 56.400 0.086 0.000 0.869 234 E CB 0.316 30.067 29.700 0.085 0.000 0.835 234 E HN 0.655 nan 8.360 nan 0.000 0.493 235 S N -0.802 114.933 115.700 0.058 0.000 2.755 235 S HA 0.222 4.693 4.470 0.001 0.000 0.286 235 S C -0.200 174.430 174.600 0.050 0.000 1.207 235 S CA -0.726 57.506 58.200 0.052 0.000 0.892 235 S CB 0.826 64.059 63.200 0.056 0.000 1.240 235 S HN -0.232 nan 8.310 nan 0.000 0.525 236 D N 1.014 121.443 120.400 0.048 0.000 2.363 236 D HA 0.089 4.730 4.640 0.001 0.000 0.226 236 D C 0.014 176.341 176.300 0.045 0.000 1.020 236 D CA 0.682 54.708 54.000 0.044 0.000 0.892 236 D CB -0.396 40.428 40.800 0.041 0.000 0.900 236 D HN 0.473 nan 8.370 nan 0.000 0.531 237 N N 0.962 119.693 118.700 0.051 0.000 2.527 237 N HA 0.123 4.864 4.740 0.001 0.000 0.236 237 N C -2.024 173.515 175.510 0.048 0.000 0.999 237 N CA -1.846 51.234 53.050 0.051 0.000 0.935 237 N CB 1.725 40.249 38.487 0.062 0.000 1.132 237 N HN -0.283 nan 8.380 nan 0.000 0.511 238 P HA -0.206 nan 4.420 nan 0.000 0.217 238 P C 0.834 178.159 177.300 0.041 0.000 1.148 238 P CA 1.046 64.172 63.100 0.044 0.000 0.834 238 P CB 0.263 31.989 31.700 0.044 0.000 0.783 239 E N -0.283 119.941 120.200 0.039 0.000 2.233 239 E HA -0.210 4.141 4.350 0.001 0.000 0.199 239 E C 0.317 176.931 176.600 0.023 0.000 1.004 239 E CA 1.005 57.422 56.400 0.030 0.000 0.819 239 E CB -0.298 29.420 29.700 0.030 0.000 0.738 239 E HN 0.229 nan 8.360 nan 0.000 0.478 240 D N 1.307 121.728 120.400 0.035 0.000 2.722 240 D HA 0.071 4.712 4.640 0.001 0.000 0.239 240 D C -0.886 175.433 176.300 0.033 0.000 1.249 240 D CA 0.029 54.049 54.000 0.033 0.000 0.830 240 D CB 0.048 40.876 40.800 0.046 0.000 1.025 240 D HN 0.068 nan 8.370 nan 0.000 0.486 241 D N 1.035 121.450 120.400 0.026 0.000 2.264 241 D HA 0.226 4.867 4.640 0.001 0.000 0.250 241 D C 0.376 176.672 176.300 -0.006 0.000 1.113 241 D CA 0.176 54.191 54.000 0.026 0.000 0.871 241 D CB 1.494 42.311 40.800 0.028 0.000 1.167 241 D HN -0.125 nan 8.370 nan 0.000 0.447 242 K N 0.592 120.985 120.400 -0.011 0.000 2.259 242 K HA 0.585 4.906 4.320 0.001 0.000 0.249 242 K C -1.001 175.509 176.600 -0.149 0.000 0.942 242 K CA -0.978 55.228 56.287 -0.134 0.000 0.816 242 K CB 2.405 34.754 32.500 -0.253 0.000 1.155 242 K HN 0.074 nan 8.250 nan 0.000 0.428 243 V N 3.459 123.224 119.914 -0.248 0.000 2.357 243 V HA 0.277 4.398 4.120 0.001 0.000 0.284 243 V C -1.215 174.785 176.094 -0.158 0.000 1.018 243 V CA -0.770 61.437 62.300 -0.156 0.000 0.841 243 V CB 0.378 32.090 31.823 -0.185 0.000 0.991 243 V HN 0.584 nan 8.190 nan 0.000 0.437 244 Y N 4.496 124.830 120.300 0.058 0.000 2.330 244 Y HA 0.592 5.143 4.550 0.001 0.000 0.336 244 Y C -0.203 175.744 175.900 0.079 0.000 1.036 244 Y CA -0.472 57.652 58.100 0.041 0.000 1.125 244 Y CB 1.319 39.719 38.460 -0.101 0.000 1.194 244 Y HN 0.497 nan 8.280 nan 0.000 0.469 245 F N 3.294 123.314 119.950 0.117 0.000 2.469 245 F HA 0.504 5.032 4.527 0.001 0.000 0.332 245 F C -0.823 175.114 175.800 0.228 0.000 1.103 245 F CA -1.130 57.048 58.000 0.297 0.000 0.979 245 F CB 0.830 40.080 39.000 0.416 0.000 1.137 245 F HN 0.263 nan 8.300 nan 0.000 0.463 246 F N 4.275 124.551 119.950 0.544 0.000 2.450 246 F HA 0.689 5.217 4.527 0.001 0.000 0.332 246 F C -0.382 175.681 175.800 0.439 0.000 1.093 246 F CA -0.893 57.290 58.000 0.305 0.000 1.003 246 F CB 1.411 40.498 39.000 0.144 0.000 1.151 246 F HN 0.336 nan 8.300 nan 0.000 0.474 247 F N 0.027 120.128 119.950 0.251 0.000 2.799 247 F HA 0.631 5.158 4.527 0.001 0.000 0.316 247 F C -1.569 174.214 175.800 -0.028 0.000 1.155 247 F CA -1.756 56.268 58.000 0.041 0.000 0.916 247 F CB 1.304 40.192 39.000 -0.186 0.000 1.294 247 F HN 0.488 nan 8.300 nan 0.000 0.447 248 R N 1.073 121.624 120.500 0.084 0.000 2.832 248 R HA 0.888 5.229 4.340 0.001 0.000 0.271 248 R C -1.453 174.883 176.300 0.060 0.000 0.996 248 R CA -0.447 55.662 56.100 0.015 0.000 0.977 248 R CB 2.739 33.042 30.300 0.005 0.000 1.168 248 R HN 0.980 nan 8.270 nan 0.000 0.482 249 E N 1.145 121.370 120.200 0.042 0.000 2.429 249 E HA 0.241 4.591 4.350 0.001 0.000 0.280 249 E C -1.364 175.225 176.600 -0.018 0.000 1.068 249 E CA -1.160 55.249 56.400 0.015 0.000 0.837 249 E CB 0.861 30.629 29.700 0.112 0.000 1.357 249 E HN 0.543 nan 8.360 nan 0.000 0.455 250 N N 0.542 119.220 118.700 -0.036 0.000 2.470 250 N HA 0.327 5.068 4.740 0.001 0.000 0.268 250 N C -0.106 175.350 175.510 -0.091 0.000 1.136 250 N CA 0.337 53.347 53.050 -0.066 0.000 0.961 250 N CB 1.284 39.749 38.487 -0.036 0.000 1.067 250 N HN 0.631 nan 8.380 nan 0.000 0.468 251 A N 2.765 125.436 122.820 -0.248 0.000 2.433 251 A HA 0.413 4.734 4.320 0.001 0.000 0.250 251 A C 0.256 177.792 177.584 -0.080 0.000 1.113 251 A CA 0.213 52.049 52.037 -0.336 0.000 0.794 251 A CB 0.142 18.672 19.000 -0.783 0.000 1.067 251 A HN 0.707 nan 8.150 nan 0.000 0.510 252 I N -0.869 119.712 120.570 0.018 0.000 2.680 252 I HA 0.317 4.488 4.170 0.001 0.000 0.291 252 I C -0.281 176.000 176.117 0.273 0.000 1.244 252 I CA -0.050 61.335 61.300 0.141 0.000 1.042 252 I CB 2.332 40.459 38.000 0.211 0.000 1.277 252 I HN 0.902 nan 8.210 nan 0.000 0.423 253 D N 3.001 123.559 120.400 0.264 0.000 2.061 253 D HA 0.268 4.908 4.640 0.001 0.000 0.314 253 D C 0.159 176.532 176.300 0.122 0.000 1.237 253 D CA 0.613 54.820 54.000 0.345 0.000 1.206 253 D CB 0.957 41.910 40.800 0.255 0.000 1.911 253 D HN 0.659 nan 8.370 nan 0.000 0.481 254 G N -0.391 108.409 108.800 0.001 0.000 2.788 254 G HA2 0.460 4.420 3.960 0.001 0.000 0.293 254 G HA3 0.460 4.420 3.960 0.001 0.000 0.293 254 G C -0.791 174.027 174.900 -0.136 0.000 1.392 254 G CA -0.473 44.519 45.100 -0.179 0.000 0.810 254 G HN 0.036 nan 8.290 nan 0.000 0.508 255 E N -0.471 119.613 120.200 -0.193 0.000 2.403 255 E HA 0.153 4.503 4.350 0.001 0.000 0.188 255 E C -0.003 176.646 176.600 0.080 0.000 1.056 255 E CA -0.098 56.281 56.400 -0.035 0.000 0.892 255 E CB 0.067 29.761 29.700 -0.010 0.000 1.049 255 E HN 0.536 nan 8.360 nan 0.000 0.465 256 H N 0.076 119.162 119.070 0.027 0.000 2.547 256 H HA 0.159 4.716 4.556 0.001 0.000 0.362 256 H C 0.360 175.701 175.328 0.021 0.000 1.181 256 H CA -0.739 55.323 56.048 0.023 0.000 1.376 256 H CB 1.135 30.913 29.762 0.026 0.000 1.488 256 H HN -0.043 nan 8.280 nan 0.000 0.583 257 S N 1.547 117.335 115.700 0.146 0.000 3.232 257 S HA 0.108 4.579 4.470 0.001 0.000 0.298 257 S C 0.581 175.225 174.600 0.072 0.000 1.159 257 S CA 0.047 58.293 58.200 0.077 0.000 1.240 257 S CB -1.232 61.993 63.200 0.043 0.000 1.584 257 S HN 0.859 nan 8.310 nan 0.000 0.558 258 G N 4.070 112.909 108.800 0.066 0.000 4.973 258 G HA2 0.151 4.112 3.960 0.001 0.000 0.211 258 G HA3 0.151 4.112 3.960 0.001 0.000 0.211 258 G C -0.377 174.530 174.900 0.012 0.000 0.784 258 G CA -0.727 44.400 45.100 0.045 0.000 0.657 258 G HN 0.654 nan 8.290 nan 0.000 0.480 259 K N 0.787 121.190 120.400 0.004 0.000 2.436 259 K HA 0.599 4.920 4.320 0.001 0.000 0.275 259 K C 0.105 176.676 176.600 -0.048 0.000 0.999 259 K CA 0.468 56.743 56.287 -0.020 0.000 0.980 259 K CB 0.696 33.190 32.500 -0.010 0.000 0.919 259 K HN 0.483 nan 8.250 nan 0.000 0.484 260 A N 2.591 125.351 122.820 -0.099 0.000 2.601 260 A HA 0.445 4.765 4.320 0.001 0.000 0.291 260 A C -1.160 176.302 177.584 -0.203 0.000 1.075 260 A CA -0.855 51.098 52.037 -0.139 0.000 0.671 260 A CB 1.673 20.568 19.000 -0.175 0.000 1.277 260 A HN 0.649 nan 8.150 nan 0.000 0.417 261 T N 1.080 115.547 114.554 -0.145 0.000 2.943 261 T HA 0.698 5.049 4.350 0.001 0.000 0.284 261 T C -1.169 173.504 174.700 -0.044 0.000 1.015 261 T CA -0.034 62.009 62.100 -0.096 0.000 1.042 261 T CB 0.553 69.422 68.868 0.001 0.000 1.055 261 T HN 0.532 nan 8.240 nan 0.000 0.500 262 H N 0.521 119.570 119.070 -0.034 0.000 3.108 262 H HA 0.571 5.128 4.556 0.001 0.000 0.329 262 H C -0.229 175.057 175.328 -0.070 0.000 0.978 262 H CA -0.889 55.120 56.048 -0.065 0.000 1.413 262 H CB 0.938 30.638 29.762 -0.104 0.000 1.670 262 H HN 0.804 nan 8.280 nan 0.000 0.512 263 A N 4.047 126.928 122.820 0.102 0.000 2.386 263 A HA 0.698 5.018 4.320 0.001 0.000 0.248 263 A C 0.187 177.690 177.584 -0.134 0.000 1.082 263 A CA -0.207 51.852 52.037 0.037 0.000 0.789 263 A CB 0.540 19.704 19.000 0.274 0.000 1.025 263 A HN 0.742 nan 8.150 nan 0.000 0.490 264 R N -0.150 120.157 120.500 -0.322 0.000 2.752 264 R HA 0.656 4.996 4.340 0.001 0.000 0.271 264 R C -1.611 174.374 176.300 -0.525 0.000 1.026 264 R CA -0.712 55.084 56.100 -0.508 0.000 0.901 264 R CB 1.919 31.744 30.300 -0.791 0.000 1.243 264 R HN 0.701 nan 8.270 nan 0.000 0.463 265 I N 0.187 120.504 120.570 -0.422 0.000 2.534 265 I HA 0.565 4.736 4.170 0.001 0.000 0.288 265 I C -1.012 175.099 176.117 -0.011 0.000 1.077 265 I CA -0.387 60.715 61.300 -0.329 0.000 1.051 265 I CB 2.125 39.879 38.000 -0.410 0.000 1.234 265 I HN 0.756 nan 8.210 nan 0.000 0.425 266 G N 6.279 115.189 108.800 0.183 0.000 2.470 266 G HA2 0.562 4.523 3.960 0.001 0.000 0.320 266 G HA3 0.562 4.523 3.960 0.001 0.000 0.320 266 G C -1.394 173.554 174.900 0.080 0.000 1.245 266 G CA -0.521 44.713 45.100 0.224 0.000 0.935 266 G HN 0.696 nan 8.290 nan 0.000 0.476 267 Q N 0.834 120.436 119.800 -0.330 0.000 2.266 267 Q HA 0.827 5.167 4.340 0.001 0.000 0.261 267 Q C -1.108 174.616 176.000 -0.459 0.000 0.985 267 Q CA -0.848 54.581 55.803 -0.624 0.000 0.873 267 Q CB 2.616 30.747 28.738 -1.012 0.000 1.306 267 Q HN 0.416 nan 8.270 nan 0.000 0.447 268 I N 1.220 121.542 120.570 -0.413 0.000 2.722 268 I HA 0.275 4.446 4.170 0.001 0.000 0.292 268 I C -1.128 174.857 176.117 -0.220 0.000 1.267 268 I CA -1.030 60.093 61.300 -0.296 0.000 1.036 268 I CB 2.238 39.932 38.000 -0.509 0.000 1.281 268 I HN 0.868 nan 8.210 nan 0.000 0.423 269 c N 5.447 123.999 118.600 -0.081 0.000 2.576 269 c HA 0.096 4.667 4.570 0.001 0.000 0.401 269 c C 1.901 176.034 174.090 0.072 0.000 1.314 269 c CA -0.315 55.998 56.329 -0.026 0.000 1.855 269 c CB 0.270 42.775 42.510 -0.008 0.000 2.537 269 c HN 0.865 nan 8.230 nan 0.000 0.578 270 K N 2.879 123.309 120.400 0.050 0.000 2.103 270 K HA -0.164 4.157 4.320 0.001 0.000 0.207 270 K C 0.622 177.249 176.600 0.045 0.000 1.048 270 K CA 1.865 58.241 56.287 0.149 0.000 0.930 270 K CB -0.061 32.485 32.500 0.076 0.000 0.716 270 K HN 0.780 nan 8.250 nan 0.000 0.444 271 N N 1.623 120.265 118.700 -0.096 0.000 2.466 271 N HA 0.010 4.750 4.740 0.001 0.000 0.251 271 N C -1.054 174.115 175.510 -0.569 0.000 1.164 271 N CA -0.069 52.774 53.050 -0.344 0.000 0.888 271 N CB 0.472 38.877 38.487 -0.136 0.000 1.177 271 N HN 0.167 nan 8.380 nan 0.000 0.498 272 D N -0.081 120.046 120.400 -0.455 0.000 2.198 272 D HA 0.163 4.804 4.640 0.001 0.000 0.245 272 D C -0.403 175.541 176.300 -0.594 0.000 1.079 272 D CA -0.445 53.382 54.000 -0.288 0.000 0.854 272 D CB 0.689 41.586 40.800 0.163 0.000 1.148 272 D HN 0.156 nan 8.370 nan 0.000 0.456 273 F N 1.687 121.592 119.950 -0.075 0.000 2.724 273 F HA 0.333 4.860 4.527 0.001 0.000 0.310 273 F C 1.263 176.946 175.800 -0.193 0.000 1.107 273 F CA 0.061 57.932 58.000 -0.214 0.000 1.218 273 F CB 0.960 39.778 39.000 -0.302 0.000 1.042 273 F HN 0.628 nan 8.300 nan 0.000 0.540 274 G N 0.499 109.289 108.800 -0.016 0.000 2.655 274 G HA2 0.121 4.081 3.960 0.001 0.000 0.680 274 G HA3 0.121 4.081 3.960 0.001 0.000 0.680 274 G C -0.022 174.916 174.900 0.063 0.000 1.302 274 G CA -0.803 44.287 45.100 -0.016 0.000 0.872 274 G HN 0.495 nan 8.290 nan 0.000 0.540 275 G N -1.948 106.891 108.800 0.066 0.000 2.557 275 G HA2 0.545 4.505 3.960 0.001 0.000 0.292 275 G HA3 0.545 4.505 3.960 0.001 0.000 0.292 275 G C 0.751 175.726 174.900 0.124 0.000 1.237 275 G CA 0.863 46.029 45.100 0.110 0.000 0.978 275 G HN 1.108 nan 8.290 nan 0.000 0.498 276 H N -0.079 119.023 119.070 0.053 0.000 2.368 276 H HA 0.065 4.622 4.556 0.001 0.000 0.311 276 H C 1.908 177.259 175.328 0.039 0.000 1.042 276 H CA 0.898 56.974 56.048 0.046 0.000 1.377 276 H CB 0.491 30.284 29.762 0.051 0.000 1.473 276 H HN 0.536 nan 8.280 nan 0.000 0.593 277 R N 0.154 120.788 120.500 0.224 0.000 2.586 277 R HA 0.340 4.681 4.340 0.001 0.000 0.336 277 R C 0.444 176.791 176.300 0.079 0.000 1.060 277 R CA 0.074 56.251 56.100 0.129 0.000 1.079 277 R CB 0.615 31.056 30.300 0.234 0.000 1.317 277 R HN 0.046 nan 8.270 nan 0.000 0.568 278 S N -0.119 115.622 115.700 0.069 0.000 4.569 278 S HA 0.270 4.740 4.470 0.001 0.000 0.161 278 S C -0.175 174.444 174.600 0.032 0.000 1.104 278 S CA -0.561 57.672 58.200 0.056 0.000 1.153 278 S CB -0.129 63.121 63.200 0.084 0.000 2.018 278 S HN 0.198 nan 8.310 nan 0.000 0.800 279 L N 3.877 125.132 121.223 0.054 0.000 3.240 279 L HA 0.188 4.528 4.340 0.001 0.000 0.241 279 L C -0.551 176.307 176.870 -0.021 0.000 1.473 279 L CA -0.378 54.477 54.840 0.025 0.000 1.114 279 L CB -0.759 41.360 42.059 0.101 0.000 1.479 279 L HN 0.200 nan 8.230 nan 0.000 0.451 280 V N 2.207 122.098 119.914 -0.039 0.000 2.475 280 V HA -0.099 4.022 4.120 0.001 0.000 0.292 280 V C 1.159 177.176 176.094 -0.127 0.000 1.003 280 V CA 0.158 62.423 62.300 -0.058 0.000 1.120 280 V CB -0.143 31.651 31.823 -0.049 0.000 0.937 280 V HN 0.854 nan 8.190 nan 0.000 0.476 281 N N 2.714 121.329 118.700 -0.141 0.000 2.708 281 N HA -0.186 4.554 4.740 0.001 0.000 0.251 281 N C -0.077 175.182 175.510 -0.419 0.000 1.123 281 N CA 1.172 54.040 53.050 -0.303 0.000 0.739 281 N CB -0.580 37.587 38.487 -0.533 0.000 1.113 281 N HN 0.798 nan 8.380 nan 0.000 0.561 282 K N -0.320 119.897 120.400 -0.304 0.000 2.324 282 K HA 0.282 4.602 4.320 0.001 0.000 0.253 282 K C -0.203 176.291 176.600 -0.177 0.000 0.932 282 K CA -0.668 55.425 56.287 -0.323 0.000 0.799 282 K CB 1.034 33.405 32.500 -0.216 0.000 1.154 282 K HN 0.011 nan 8.250 nan 0.000 0.425 283 W N 1.171 122.469 121.300 -0.003 0.000 2.477 283 W HA -0.111 4.549 4.660 0.001 0.000 0.339 283 W C 1.209 177.845 176.519 0.195 0.000 1.195 283 W CA 0.530 57.925 57.345 0.083 0.000 1.324 283 W CB 0.071 29.590 29.460 0.098 0.000 1.170 283 W HN 0.633 nan 8.180 nan 0.000 0.570 284 T N 0.090 114.869 114.554 0.376 0.000 2.955 284 T HA -0.053 4.297 4.350 0.001 0.000 0.251 284 T C 1.359 176.196 174.700 0.228 0.000 1.002 284 T CA 0.899 63.166 62.100 0.278 0.000 0.970 284 T CB 0.067 69.050 68.868 0.191 0.000 1.091 284 T HN 0.532 nan 8.240 nan 0.000 0.495 285 T N 0.271 114.965 114.554 0.233 0.000 3.251 285 T HA 0.385 4.736 4.350 0.001 0.000 0.259 285 T C -0.108 174.615 174.700 0.038 0.000 0.998 285 T CA -0.585 61.579 62.100 0.107 0.000 0.905 285 T CB -0.887 68.020 68.868 0.064 0.000 1.067 285 T HN 0.153 nan 8.240 nan 0.000 0.569 286 F N 2.537 122.434 119.950 -0.088 0.000 2.424 286 F HA 0.672 5.199 4.527 0.001 0.000 0.356 286 F C -0.848 174.769 175.800 -0.305 0.000 1.110 286 F CA -1.832 56.025 58.000 -0.238 0.000 1.161 286 F CB 0.299 39.179 39.000 -0.199 0.000 1.115 286 F HN 0.106 nan 8.300 nan 0.000 0.507 287 L N 6.394 127.020 121.223 -0.994 0.000 2.434 287 L HA 0.548 4.889 4.340 0.001 0.000 0.260 287 L C -1.178 175.179 176.870 -0.854 0.000 0.983 287 L CA -1.100 53.205 54.840 -0.893 0.000 0.820 287 L CB 2.583 44.274 42.059 -0.615 0.000 1.361 287 L HN 0.579 nan 8.230 nan 0.000 0.410 288 K N 1.252 121.383 120.400 -0.449 0.000 2.477 288 K HA 0.982 5.303 4.320 0.001 0.000 0.255 288 K C -1.582 175.030 176.600 0.021 0.000 0.952 288 K CA -0.811 55.406 56.287 -0.116 0.000 0.826 288 K CB 2.917 35.321 32.500 -0.160 0.000 1.331 288 K HN 0.598 nan 8.250 nan 0.000 0.437 289 A N 1.645 124.428 122.820 -0.062 0.000 2.515 289 A HA 0.517 4.838 4.320 0.001 0.000 0.298 289 A C -1.053 176.332 177.584 -0.331 0.000 1.059 289 A CA -0.971 50.917 52.037 -0.248 0.000 0.698 289 A CB 1.706 20.442 19.000 -0.440 0.000 1.289 289 A HN 0.690 nan 8.150 nan 0.000 0.404 290 R N 1.049 121.319 120.500 -0.383 0.000 2.543 290 R HA 0.335 4.675 4.340 0.001 0.000 0.277 290 R C -1.195 174.872 176.300 -0.389 0.000 1.074 290 R CA -0.026 55.822 56.100 -0.422 0.000 1.076 290 R CB 0.234 30.189 30.300 -0.575 0.000 0.993 290 R HN 0.674 nan 8.270 nan 0.000 0.459 291 L N 6.089 127.133 121.223 -0.299 0.000 2.276 291 L HA 0.424 4.765 4.340 0.001 0.000 0.286 291 L C -0.044 176.753 176.870 -0.121 0.000 1.024 291 L CA -0.443 54.229 54.840 -0.279 0.000 0.826 291 L CB 1.329 43.250 42.059 -0.230 0.000 1.211 291 L HN 0.482 nan 8.230 nan 0.000 0.422 292 I N 2.881 123.380 120.570 -0.118 0.000 2.353 292 I HA 0.207 4.377 4.170 0.001 0.000 0.293 292 I C -0.234 175.903 176.117 0.035 0.000 0.992 292 I CA -0.258 61.013 61.300 -0.049 0.000 1.268 292 I CB 1.766 39.663 38.000 -0.173 0.000 1.387 292 I HN 0.575 nan 8.210 nan 0.000 0.478 293 c N 6.771 125.329 118.600 -0.070 0.000 3.002 293 c HA 0.601 5.172 4.570 0.001 0.000 0.248 293 c C 0.305 174.360 174.090 -0.058 0.000 1.153 293 c CA -0.285 55.873 56.329 -0.285 0.000 1.502 293 c CB -1.131 40.772 42.510 -1.011 0.000 1.805 293 c HN 0.861 nan 8.230 nan 0.000 0.450 294 S N 3.015 118.698 115.700 -0.028 0.000 2.751 294 S HA 0.892 5.363 4.470 0.001 0.000 0.310 294 S C -1.114 173.423 174.600 -0.105 0.000 1.128 294 S CA -0.615 57.542 58.200 -0.072 0.000 0.931 294 S CB 1.701 64.651 63.200 -0.417 0.000 1.177 294 S HN 0.546 nan 8.310 nan 0.000 0.530 295 V N 2.763 122.620 119.914 -0.096 0.000 2.409 295 V HA 0.470 4.591 4.120 0.001 0.000 0.290 295 V C -2.368 173.658 176.094 -0.114 0.000 1.017 295 V CA -1.851 60.395 62.300 -0.090 0.000 0.841 295 V CB 1.174 32.984 31.823 -0.023 0.000 1.003 295 V HN 0.880 nan 8.190 nan 0.000 0.426 296 P HA 0.101 nan 4.420 nan 0.000 0.266 296 P C 0.160 177.406 177.300 -0.090 0.000 1.186 296 P CA 0.620 63.655 63.100 -0.109 0.000 0.767 296 P CB 1.019 32.653 31.700 -0.110 0.000 0.820 297 G N 1.982 110.734 108.800 -0.080 0.000 2.735 297 G HA2 0.545 4.506 3.960 0.001 0.000 0.301 297 G HA3 0.545 4.506 3.960 0.001 0.000 0.301 297 G C -1.534 173.332 174.900 -0.056 0.000 1.279 297 G CA -0.939 44.120 45.100 -0.067 0.000 1.019 297 G HN 0.293 nan 8.290 nan 0.000 0.497 298 P HA -0.058 nan 4.420 nan 0.000 0.214 298 P C 1.026 178.306 177.300 -0.033 0.000 1.167 298 P CA 0.766 63.841 63.100 -0.041 0.000 0.882 298 P CB 0.266 31.944 31.700 -0.038 0.000 0.777 299 N N -0.351 118.332 118.700 -0.029 0.000 2.575 299 N HA 0.027 4.767 4.740 0.001 0.000 0.192 299 N C 1.140 176.640 175.510 -0.017 0.000 1.200 299 N CA 1.192 54.230 53.050 -0.021 0.000 0.897 299 N CB -0.606 37.871 38.487 -0.017 0.000 0.990 299 N HN 0.335 nan 8.380 nan 0.000 0.449 300 G N -0.549 108.237 108.800 -0.023 0.000 2.175 300 G HA2 -0.229 3.731 3.960 0.001 0.000 0.244 300 G HA3 -0.229 3.731 3.960 0.001 0.000 0.244 300 G C -0.036 174.860 174.900 -0.008 0.000 0.982 300 G CA 0.166 45.256 45.100 -0.017 0.000 0.641 300 G HN 0.309 nan 8.290 nan 0.000 0.527 301 I N 1.766 122.329 120.570 -0.012 0.000 2.336 301 I HA 0.387 4.557 4.170 0.001 0.000 0.292 301 I C -0.415 175.684 176.117 -0.031 0.000 0.991 301 I CA -0.819 60.481 61.300 0.000 0.000 1.227 301 I CB 1.227 39.228 38.000 0.002 0.000 1.366 301 I HN -0.060 nan 8.210 nan 0.000 0.466 302 D N 3.708 124.085 120.400 -0.037 0.000 2.340 302 D HA 0.358 4.999 4.640 0.001 0.000 0.251 302 D C -0.306 175.877 176.300 -0.195 0.000 1.080 302 D CA -0.083 53.825 54.000 -0.153 0.000 0.971 302 D CB 1.180 41.822 40.800 -0.264 0.000 1.137 302 D HN 0.343 nan 8.370 nan 0.000 0.475 303 T N 1.113 115.525 114.554 -0.237 0.000 2.758 303 T HA 0.307 4.658 4.350 0.001 0.000 0.285 303 T C -0.534 174.042 174.700 -0.207 0.000 0.981 303 T CA -0.565 61.428 62.100 -0.180 0.000 0.965 303 T CB 0.377 69.169 68.868 -0.127 0.000 0.927 303 T HN 0.214 nan 8.240 nan 0.000 0.448 304 H N 1.983 121.023 119.070 -0.049 0.000 2.499 304 H HA 0.358 4.914 4.556 0.001 0.000 0.340 304 H C -0.899 174.392 175.328 -0.061 0.000 1.148 304 H CA -0.773 55.306 56.048 0.050 0.000 1.215 304 H CB 1.389 31.180 29.762 0.048 0.000 1.529 304 H HN 0.481 nan 8.280 nan 0.000 0.510 305 F N 1.826 121.845 119.950 0.114 0.000 2.371 305 F HA 0.151 4.679 4.527 0.001 0.000 0.343 305 F C 1.024 176.968 175.800 0.240 0.000 1.150 305 F CA -0.760 57.319 58.000 0.131 0.000 1.220 305 F CB 0.505 39.556 39.000 0.085 0.000 1.475 305 F HN 0.453 nan 8.300 nan 0.000 0.521 306 D N 0.076 120.667 120.400 0.318 0.000 2.123 306 D HA -0.084 4.556 4.640 0.001 0.000 0.200 306 D C 0.626 177.123 176.300 0.328 0.000 0.976 306 D CA 0.923 55.112 54.000 0.316 0.000 0.831 306 D CB 0.119 41.028 40.800 0.181 0.000 0.974 306 D HN 0.348 nan 8.370 nan 0.000 0.469 307 E N 1.901 122.242 120.200 0.235 0.000 2.026 307 E HA -0.040 4.310 4.350 0.001 0.000 0.249 307 E C 0.399 177.062 176.600 0.105 0.000 1.273 307 E CA -0.005 56.483 56.400 0.148 0.000 0.991 307 E CB -0.010 29.757 29.700 0.112 0.000 1.076 307 E HN 0.235 nan 8.360 nan 0.000 0.438 308 L N 3.790 125.002 121.223 -0.018 0.000 2.500 308 L HA -0.064 4.276 4.340 0.001 0.000 0.272 308 L C 1.030 177.801 176.870 -0.165 0.000 1.149 308 L CA 0.426 55.068 54.840 -0.329 0.000 0.897 308 L CB 0.709 42.558 42.059 -0.351 0.000 1.178 308 L HN 0.396 nan 8.230 nan 0.000 0.473 309 Q N 2.926 122.632 119.800 -0.156 0.000 2.387 309 Q HA 0.170 4.511 4.340 0.001 0.000 0.212 309 Q C -0.117 175.863 176.000 -0.034 0.000 0.925 309 Q CA 0.539 56.318 55.803 -0.039 0.000 0.901 309 Q CB 0.795 29.553 28.738 0.034 0.000 1.020 309 Q HN 0.730 nan 8.270 nan 0.000 0.545 310 D N -1.410 118.949 120.400 -0.069 0.000 2.615 310 D HA 0.516 5.157 4.640 0.001 0.000 0.267 310 D C -1.663 174.592 176.300 -0.075 0.000 1.236 310 D CA -0.599 53.385 54.000 -0.027 0.000 0.839 310 D CB 2.245 43.056 40.800 0.019 0.000 1.380 310 D HN -0.220 nan 8.370 nan 0.000 0.433 311 V N 1.624 121.515 119.914 -0.038 0.000 2.851 311 V HA 0.575 4.695 4.120 0.001 0.000 0.307 311 V C -1.352 174.768 176.094 0.043 0.000 1.129 311 V CA -0.848 61.379 62.300 -0.122 0.000 0.932 311 V CB 1.851 33.364 31.823 -0.516 0.000 1.024 311 V HN 0.565 nan 8.190 nan 0.000 0.426 312 F N 4.616 124.524 119.950 -0.071 0.000 2.547 312 F HA 0.729 5.256 4.527 0.001 0.000 0.316 312 F C -1.045 174.758 175.800 0.005 0.000 1.121 312 F CA -0.703 57.296 58.000 -0.003 0.000 0.911 312 F CB 1.572 40.575 39.000 0.005 0.000 1.179 312 F HN 0.351 nan 8.300 nan 0.000 0.443 313 L N 6.922 127.657 121.223 -0.814 0.000 2.264 313 L HA 0.371 4.712 4.340 0.001 0.000 0.289 313 L C -0.153 176.335 176.870 -0.636 0.000 1.044 313 L CA -0.537 53.975 54.840 -0.546 0.000 0.807 313 L CB 1.369 43.180 42.059 -0.413 0.000 1.192 313 L HN 0.595 nan 8.230 nan 0.000 0.425 314 M N 4.413 123.973 119.600 -0.068 0.000 2.497 314 M HA 0.130 4.611 4.480 0.001 0.000 0.336 314 M C -0.153 176.184 176.300 0.062 0.000 1.378 314 M CA -0.069 55.323 55.300 0.152 0.000 1.375 314 M CB -0.408 32.439 32.600 0.412 0.000 1.337 314 M HN 0.515 nan 8.290 nan 0.000 0.461 315 N N 1.706 120.406 118.700 0.001 0.000 2.386 315 N HA -0.043 4.698 4.740 0.001 0.000 0.273 315 N C 0.102 175.641 175.510 0.048 0.000 1.331 315 N CA 0.106 53.165 53.050 0.014 0.000 0.891 315 N CB 0.576 39.071 38.487 0.013 0.000 1.139 315 N HN 0.473 nan 8.380 nan 0.000 0.487 316 S N 1.623 117.348 115.700 0.041 0.000 2.645 316 S HA 0.078 4.549 4.470 0.001 0.000 0.266 316 S C 1.318 175.939 174.600 0.035 0.000 1.258 316 S CA -0.647 57.580 58.200 0.044 0.000 0.990 316 S CB 1.219 64.441 63.200 0.037 0.000 0.967 316 S HN 0.612 nan 8.310 nan 0.000 0.556 317 K N 0.443 120.862 120.400 0.032 0.000 2.281 317 K HA -0.133 4.187 4.320 0.001 0.000 0.203 317 K C -0.082 176.533 176.600 0.026 0.000 1.046 317 K CA 1.312 57.616 56.287 0.028 0.000 0.938 317 K CB -0.074 32.440 32.500 0.023 0.000 0.737 317 K HN 0.573 nan 8.250 nan 0.000 0.458 318 D N 0.802 121.216 120.400 0.024 0.000 2.479 318 D HA 0.079 4.720 4.640 0.001 0.000 0.218 318 D C -1.711 174.604 176.300 0.025 0.000 1.131 318 D CA -2.610 51.404 54.000 0.023 0.000 0.916 318 D CB 1.421 42.232 40.800 0.020 0.000 1.022 318 D HN 0.041 nan 8.370 nan 0.000 0.515 319 P HA -0.176 nan 4.420 nan 0.000 0.222 319 P C 0.659 177.980 177.300 0.034 0.000 1.142 319 P CA 0.866 63.984 63.100 0.031 0.000 0.788 319 P CB 0.371 32.092 31.700 0.035 0.000 0.767 320 K N -0.863 119.557 120.400 0.033 0.000 2.459 320 K HA 0.046 4.367 4.320 0.001 0.000 0.193 320 K C 0.255 176.869 176.600 0.023 0.000 1.030 320 K CA 0.358 56.667 56.287 0.037 0.000 1.026 320 K CB -0.111 32.412 32.500 0.039 0.000 0.809 320 K HN 0.111 nan 8.250 nan 0.000 0.504 321 N N 1.037 119.746 118.700 0.014 0.000 2.642 321 N HA 0.101 4.842 4.740 0.001 0.000 0.308 321 N C -2.832 172.678 175.510 -0.001 0.000 1.914 321 N CA -1.109 51.942 53.050 0.002 0.000 0.893 321 N CB 1.093 39.584 38.487 0.006 0.000 1.322 321 N HN 0.011 nan 8.380 nan 0.000 0.490 322 P HA 0.104 nan 4.420 nan 0.000 0.271 322 P C -0.160 177.129 177.300 -0.018 0.000 1.220 322 P CA -0.134 62.958 63.100 -0.014 0.000 0.768 322 P CB 1.135 32.813 31.700 -0.038 0.000 0.848 323 I N 3.860 124.439 120.570 0.015 0.000 2.556 323 I HA 0.030 4.201 4.170 0.001 0.000 0.284 323 I C 0.541 176.658 176.117 0.000 0.000 1.114 323 I CA -0.292 61.010 61.300 0.002 0.000 1.418 323 I CB 0.830 38.851 38.000 0.036 0.000 1.394 323 I HN 0.104 nan 8.210 nan 0.000 0.552 324 V N 8.653 128.544 119.914 -0.038 0.000 2.333 324 V HA 0.231 4.352 4.120 0.001 0.000 0.274 324 V C -0.339 175.747 176.094 -0.013 0.000 1.028 324 V CA -0.667 61.623 62.300 -0.016 0.000 0.851 324 V CB 0.434 32.278 31.823 0.035 0.000 1.000 324 V HN 0.386 nan 8.190 nan 0.000 0.456 325 Y N 2.492 122.833 120.300 0.069 0.000 2.334 325 Y HA 0.722 5.273 4.550 0.001 0.000 0.328 325 Y C 0.852 176.819 175.900 0.112 0.000 1.130 325 Y CA -0.120 58.056 58.100 0.128 0.000 1.163 325 Y CB 2.034 40.587 38.460 0.156 0.000 1.207 325 Y HN 0.695 nan 8.280 nan 0.000 0.471 326 G N 1.111 110.131 108.800 0.366 0.000 2.638 326 G HA2 0.539 4.500 3.960 0.001 0.000 0.302 326 G HA3 0.539 4.500 3.960 0.001 0.000 0.302 326 G C -2.060 173.058 174.900 0.364 0.000 1.365 326 G CA -0.673 44.604 45.100 0.294 0.000 0.987 326 G HN 0.442 nan 8.290 nan 0.000 0.495 327 V N 2.349 122.307 119.914 0.075 0.000 2.328 327 V HA 0.537 4.657 4.120 0.001 0.000 0.278 327 V C -0.819 175.309 176.094 0.057 0.000 1.021 327 V CA -0.432 61.997 62.300 0.215 0.000 0.838 327 V CB 0.226 32.154 31.823 0.176 0.000 0.999 327 V HN 0.523 nan 8.190 nan 0.000 0.447 328 F N 2.258 122.327 119.950 0.200 0.000 2.541 328 F HA 0.770 5.297 4.527 0.001 0.000 0.331 328 F C 0.631 176.590 175.800 0.265 0.000 1.057 328 F CA -0.621 57.508 58.000 0.215 0.000 0.975 328 F CB 2.152 41.293 39.000 0.235 0.000 1.246 328 F HN 0.268 nan 8.300 nan 0.000 0.484 329 T N -0.197 114.623 114.554 0.444 0.000 2.896 329 T HA 0.421 4.772 4.350 0.001 0.000 0.297 329 T C -0.695 174.132 174.700 0.211 0.000 1.108 329 T CA -0.622 61.665 62.100 0.312 0.000 1.004 329 T CB 1.643 70.623 68.868 0.187 0.000 1.159 329 T HN 0.525 nan 8.240 nan 0.000 0.499 330 T N 1.740 116.323 114.554 0.049 0.000 2.918 330 T HA 0.169 4.519 4.350 0.001 0.000 0.302 330 T C 1.285 175.983 174.700 -0.004 0.000 1.045 330 T CA -0.290 61.754 62.100 -0.095 0.000 1.114 330 T CB 0.934 69.703 68.868 -0.166 0.000 0.965 330 T HN 0.500 nan 8.240 nan 0.000 0.540 331 S N 1.269 116.966 115.700 -0.006 0.000 2.446 331 S HA 0.046 4.517 4.470 0.001 0.000 0.225 331 S C 1.307 175.916 174.600 0.016 0.000 1.016 331 S CA 0.040 58.249 58.200 0.016 0.000 0.943 331 S CB 0.109 63.317 63.200 0.014 0.000 0.786 331 S HN 0.705 nan 8.310 nan 0.000 0.508 332 S N 1.838 117.553 115.700 0.024 0.000 2.562 332 S HA 0.103 4.574 4.470 0.001 0.000 0.281 332 S C 0.918 175.528 174.600 0.018 0.000 1.333 332 S CA -0.370 57.857 58.200 0.045 0.000 1.052 332 S CB 0.511 63.796 63.200 0.142 0.000 0.884 332 S HN 0.417 nan 8.310 nan 0.000 0.506 333 N N 3.529 122.222 118.700 -0.013 0.000 2.416 333 N HA 0.157 4.897 4.740 0.001 0.000 0.177 333 N C 1.080 176.542 175.510 -0.079 0.000 1.036 333 N CA 0.946 53.976 53.050 -0.033 0.000 0.901 333 N CB -0.053 38.413 38.487 -0.034 0.000 0.976 333 N HN 0.714 nan 8.380 nan 0.000 0.444 334 I N -1.328 119.151 120.570 -0.151 0.000 3.941 334 I HA 0.105 4.276 4.170 0.001 0.000 0.321 334 I C -0.275 175.580 176.117 -0.436 0.000 1.284 334 I CA 0.238 61.346 61.300 -0.320 0.000 1.226 334 I CB 0.272 37.996 38.000 -0.461 0.000 1.045 334 I HN -0.009 nan 8.210 nan 0.000 0.420 335 F N 3.068 122.984 119.950 -0.058 0.000 2.627 335 F HA 0.230 4.758 4.527 0.001 0.000 0.329 335 F C 0.691 176.435 175.800 -0.093 0.000 1.378 335 F CA -1.119 56.835 58.000 -0.078 0.000 1.134 335 F CB 0.392 39.335 39.000 -0.095 0.000 1.229 335 F HN -0.085 nan 8.300 nan 0.000 0.537 336 K N 0.571 121.009 120.400 0.064 0.000 2.511 336 K HA 0.485 4.805 4.320 0.001 0.000 0.280 336 K C 0.123 176.724 176.600 0.002 0.000 1.008 336 K CA 0.151 56.450 56.287 0.020 0.000 1.050 336 K CB 0.630 33.130 32.500 -0.001 0.000 0.889 336 K HN 0.451 nan 8.250 nan 0.000 0.484 337 G N 0.976 109.769 108.800 -0.013 0.000 2.601 337 G HA2 0.450 4.410 3.960 0.001 0.000 0.291 337 G HA3 0.450 4.410 3.960 0.001 0.000 0.291 337 G C -1.634 173.319 174.900 0.088 0.000 1.456 337 G CA -0.889 44.215 45.100 0.005 0.000 0.804 337 G HN 0.529 nan 8.290 nan 0.000 0.499 338 S N -1.267 114.466 115.700 0.054 0.000 2.570 338 S HA 0.937 5.407 4.470 0.001 0.000 0.286 338 S C -0.293 174.226 174.600 -0.136 0.000 1.099 338 S CA -0.111 58.036 58.200 -0.088 0.000 0.913 338 S CB 1.903 64.577 63.200 -0.877 0.000 1.085 338 S HN 1.756 nan 8.310 nan 0.000 0.480 339 A N 1.159 123.925 122.820 -0.089 0.000 2.539 339 A HA 0.810 5.130 4.320 0.001 0.000 0.296 339 A C -1.594 176.057 177.584 0.111 0.000 1.073 339 A CA -0.650 51.173 52.037 -0.357 0.000 0.700 339 A CB 1.389 19.613 19.000 -1.292 0.000 1.296 339 A HN 0.633 nan 8.150 nan 0.000 0.405 340 V N 1.020 120.986 119.914 0.087 0.000 2.325 340 V HA 0.341 4.462 4.120 0.001 0.000 0.280 340 V C -0.326 175.803 176.094 0.060 0.000 1.016 340 V CA -0.556 61.876 62.300 0.220 0.000 0.818 340 V CB 0.518 32.492 31.823 0.251 0.000 1.019 340 V HN 0.978 nan 8.190 nan 0.000 0.434 341 c N 5.673 124.320 118.600 0.079 0.000 2.358 341 c HA 0.747 5.318 4.570 0.001 0.000 0.354 341 c C 0.228 174.200 174.090 -0.197 0.000 1.183 341 c CA -0.502 55.712 56.329 -0.191 0.000 2.150 341 c CB 1.381 43.638 42.510 -0.421 0.000 2.361 341 c HN 0.817 nan 8.230 nan 0.000 0.535 342 M N 1.857 121.140 119.600 -0.528 0.000 2.464 342 M HA 0.523 5.004 4.480 0.001 0.000 0.308 342 M C -1.676 174.220 176.300 -0.673 0.000 1.127 342 M CA -0.225 54.761 55.300 -0.523 0.000 0.913 342 M CB 1.797 34.080 32.600 -0.529 0.000 1.689 342 M HN 0.631 nan 8.290 nan 0.000 0.445 343 Y N -0.318 119.888 120.300 -0.157 0.000 2.492 343 Y HA 0.531 5.081 4.550 0.001 0.000 0.346 343 Y C -0.061 175.782 175.900 -0.095 0.000 0.997 343 Y CA -1.109 56.935 58.100 -0.094 0.000 1.025 343 Y CB 2.116 40.548 38.460 -0.045 0.000 1.263 343 Y HN 0.620 nan 8.280 nan 0.000 0.454 344 S N 2.628 118.373 115.700 0.075 0.000 2.475 344 S HA 0.320 4.790 4.470 0.001 0.000 0.298 344 S C 0.772 175.372 174.600 -0.000 0.000 1.119 344 S CA -0.825 57.387 58.200 0.020 0.000 1.085 344 S CB 1.041 64.249 63.200 0.013 0.000 1.028 344 S HN 0.693 nan 8.310 nan 0.000 0.489 345 M N 2.526 122.104 119.600 -0.037 0.000 2.144 345 M HA -0.102 4.379 4.480 0.001 0.000 0.260 345 M C 2.182 178.452 176.300 -0.050 0.000 1.067 345 M CA 1.444 56.692 55.300 -0.086 0.000 1.095 345 M CB -2.137 30.402 32.600 -0.102 0.000 1.365 345 M HN 0.830 nan 8.290 nan 0.000 0.406 346 S N 0.771 116.459 115.700 -0.019 0.000 2.402 346 S HA -0.180 4.291 4.470 0.001 0.000 0.233 346 S C 1.439 176.031 174.600 -0.013 0.000 1.030 346 S CA 1.639 59.836 58.200 -0.006 0.000 1.003 346 S CB -0.413 62.789 63.200 0.002 0.000 0.813 346 S HN 0.470 nan 8.310 nan 0.000 0.477 347 D N 0.918 121.307 120.400 -0.018 0.000 2.103 347 D HA -0.063 4.577 4.640 0.001 0.000 0.199 347 D C 2.245 178.481 176.300 -0.105 0.000 0.978 347 D CA 1.266 55.250 54.000 -0.026 0.000 0.829 347 D CB -0.448 40.365 40.800 0.023 0.000 0.981 347 D HN 0.381 nan 8.370 nan 0.000 0.464 348 V N -0.557 119.262 119.914 -0.158 0.000 2.343 348 V HA -0.200 3.920 4.120 0.001 0.000 0.247 348 V C 2.102 178.029 176.094 -0.279 0.000 1.051 348 V CA 1.435 63.530 62.300 -0.342 0.000 1.036 348 V CB -0.679 30.933 31.823 -0.352 0.000 0.654 348 V HN 0.019 nan 8.190 nan 0.000 0.451 349 R N -0.086 120.384 120.500 -0.049 0.000 2.096 349 R HA -0.068 4.272 4.340 0.001 0.000 0.235 349 R C 2.709 179.032 176.300 0.039 0.000 1.127 349 R CA 1.784 57.937 56.100 0.088 0.000 0.968 349 R CB -0.429 29.921 30.300 0.084 0.000 0.861 349 R HN 0.548 nan 8.270 nan 0.000 0.440 350 R N 0.483 120.970 120.500 -0.021 0.000 2.073 350 R HA -0.113 4.228 4.340 0.001 0.000 0.234 350 R C 2.039 178.310 176.300 -0.047 0.000 1.134 350 R CA 1.501 57.589 56.100 -0.020 0.000 0.952 350 R CB -0.182 30.107 30.300 -0.017 0.000 0.850 350 R HN 0.064 nan 8.270 nan 0.000 0.433 351 V N 0.662 120.498 119.914 -0.131 0.000 2.287 351 V HA -0.261 3.860 4.120 0.001 0.000 0.248 351 V C 2.094 178.119 176.094 -0.116 0.000 1.053 351 V CA 1.952 64.138 62.300 -0.190 0.000 1.027 351 V CB -0.602 30.995 31.823 -0.376 0.000 0.646 351 V HN 0.332 nan 8.190 nan 0.000 0.447 352 F N -0.901 118.988 119.950 -0.103 0.000 2.408 352 F HA -0.072 4.456 4.527 0.001 0.000 0.300 352 F C 1.904 177.604 175.800 -0.165 0.000 1.090 352 F CA 0.667 58.587 58.000 -0.134 0.000 1.427 352 F CB 0.013 38.971 39.000 -0.070 0.000 1.070 352 F HN 0.137 nan 8.300 nan 0.000 0.549 353 L N -0.723 120.532 121.223 0.053 0.000 2.607 353 L HA 0.218 4.559 4.340 0.001 0.000 0.228 353 L C 1.487 178.319 176.870 -0.064 0.000 1.123 353 L CA -0.358 54.472 54.840 -0.017 0.000 0.890 353 L CB -0.425 41.640 42.059 0.010 0.000 1.103 353 L HN 0.010 nan 8.230 nan 0.000 0.468 354 G N 0.050 108.803 108.800 -0.078 0.000 2.510 354 G HA2 0.334 4.294 3.960 0.001 0.000 0.280 354 G HA3 0.334 4.294 3.960 0.001 0.000 0.280 354 G C -2.526 172.307 174.900 -0.110 0.000 1.386 354 G CA -0.914 44.150 45.100 -0.060 0.000 1.047 354 G HN -0.078 nan 8.290 nan 0.000 0.527 355 P HA 0.156 nan 4.420 nan 0.000 0.269 355 P C -1.078 176.265 177.300 0.071 0.000 1.209 355 P CA 0.200 63.350 63.100 0.084 0.000 0.776 355 P CB 0.283 32.067 31.700 0.141 0.000 0.876 356 Y N 0.616 121.060 120.300 0.239 0.000 2.299 356 Y HA 0.432 4.982 4.550 0.001 0.000 0.326 356 Y C 1.036 177.122 175.900 0.310 0.000 1.164 356 Y CA -0.675 57.564 58.100 0.232 0.000 1.234 356 Y CB 0.634 39.207 38.460 0.188 0.000 1.219 356 Y HN 0.329 nan 8.280 nan 0.000 0.497 357 A N 3.912 126.992 122.820 0.435 0.000 2.451 357 A HA 0.168 4.488 4.320 0.001 0.000 0.266 357 A C -0.579 177.441 177.584 0.727 0.000 1.119 357 A CA -0.045 52.278 52.037 0.477 0.000 0.786 357 A CB -0.318 18.698 19.000 0.027 0.000 1.061 357 A HN 0.830 nan 8.150 nan 0.000 0.503 358 H N 2.967 122.446 119.070 0.680 0.000 2.600 358 H HA 0.624 5.181 4.556 0.001 0.000 0.357 358 H C -1.032 174.460 175.328 0.273 0.000 1.106 358 H CA -0.711 55.657 56.048 0.534 0.000 1.193 358 H CB 1.190 31.263 29.762 0.519 0.000 1.594 358 H HN 0.798 nan 8.280 nan 0.000 0.526 359 R N 4.220 124.181 120.500 -0.899 0.000 2.538 359 R HA 0.163 4.504 4.340 0.001 0.000 0.292 359 R C -0.260 175.460 176.300 -0.966 0.000 1.008 359 R CA -0.496 55.033 56.100 -0.952 0.000 0.896 359 R CB 1.399 30.905 30.300 -1.322 0.000 1.187 359 R HN 0.741 nan 8.270 nan 0.000 0.440 360 D N 2.449 122.359 120.400 -0.817 0.000 2.087 360 D HA -0.030 4.611 4.640 0.001 0.000 0.201 360 D C 0.839 176.774 176.300 -0.609 0.000 0.980 360 D CA 1.388 54.947 54.000 -0.735 0.000 0.849 360 D CB 0.155 40.301 40.800 -1.090 0.000 1.001 360 D HN 0.635 nan 8.370 nan 0.000 0.452 361 G N 0.006 108.419 108.800 -0.644 0.000 2.667 361 G HA2 0.326 4.287 3.960 0.001 0.000 0.310 361 G HA3 0.326 4.287 3.960 0.001 0.000 0.310 361 G C -1.995 172.904 174.900 -0.000 0.000 1.259 361 G CA -0.805 44.241 45.100 -0.089 0.000 1.019 361 G HN -0.108 nan 8.290 nan 0.000 0.496 362 P HA -0.072 nan 4.420 nan 0.000 0.220 362 P C 0.380 177.661 177.300 -0.033 0.000 1.148 362 P CA 0.847 63.925 63.100 -0.035 0.000 0.803 362 P CB 0.151 31.843 31.700 -0.014 0.000 0.782 363 N N -1.314 117.400 118.700 0.023 0.000 2.761 363 N HA 0.090 4.831 4.740 0.001 0.000 0.317 363 N C -1.044 174.385 175.510 -0.135 0.000 1.546 363 N CA -0.443 52.569 53.050 -0.063 0.000 1.015 363 N CB -0.094 38.344 38.487 -0.082 0.000 1.343 363 N HN 0.106 nan 8.380 nan 0.000 0.504 364 Y N 0.328 120.517 120.300 -0.186 0.000 2.499 364 Y HA 0.264 4.815 4.550 0.001 0.000 0.347 364 Y C 0.196 175.961 175.900 -0.224 0.000 0.987 364 Y CA -0.947 57.045 58.100 -0.180 0.000 1.044 364 Y CB 1.937 40.272 38.460 -0.208 0.000 1.245 364 Y HN 0.102 nan 8.280 nan 0.000 0.461 365 Q N 1.889 121.710 119.800 0.036 0.000 2.313 365 Q HA 0.128 4.469 4.340 0.001 0.000 0.266 365 Q C -1.376 174.683 176.000 0.098 0.000 0.989 365 Q CA -0.058 55.784 55.803 0.064 0.000 0.890 365 Q CB 0.448 29.257 28.738 0.118 0.000 1.200 365 Q HN 0.587 nan 8.270 nan 0.000 0.396 366 W N 3.100 124.500 121.300 0.167 0.000 2.257 366 W HA 0.279 4.939 4.660 0.001 0.000 0.337 366 W C -0.132 176.551 176.519 0.273 0.000 1.321 366 W CA 0.124 57.597 57.345 0.213 0.000 1.267 366 W CB 0.414 30.024 29.460 0.251 0.000 1.187 366 W HN 0.348 nan 8.180 nan 0.000 0.565 367 V N 6.351 126.522 119.914 0.428 0.000 3.049 367 V HA 0.494 4.615 4.120 0.001 0.000 0.309 367 V C -2.112 173.873 176.094 -0.181 0.000 1.148 367 V CA -2.766 59.570 62.300 0.061 0.000 0.990 367 V CB 2.683 34.576 31.823 0.116 0.000 1.039 367 V HN 0.280 nan 8.190 nan 0.000 0.430 368 P HA 0.083 nan 4.420 nan 0.000 0.276 368 P C -0.944 176.377 177.300 0.034 0.000 1.264 368 P CA 0.061 62.896 63.100 -0.442 0.000 0.769 368 P CB 0.055 31.403 31.700 -0.587 0.000 0.840 369 Y N 4.290 124.661 120.300 0.119 0.000 2.804 369 Y HA -0.102 4.448 4.550 0.001 0.000 0.338 369 Y C 0.559 176.486 175.900 0.046 0.000 1.252 369 Y CA 0.971 59.137 58.100 0.110 0.000 1.576 369 Y CB 0.178 38.757 38.460 0.197 0.000 1.223 369 Y HN 0.382 nan 8.280 nan 0.000 0.536 370 Q N 5.519 125.091 119.800 -0.380 0.000 2.907 370 Q HA 0.472 4.813 4.340 0.001 0.000 0.262 370 Q C -0.587 175.129 176.000 -0.473 0.000 0.997 370 Q CA -0.234 55.371 55.803 -0.329 0.000 0.797 370 Q CB 1.114 29.756 28.738 -0.159 0.000 1.228 370 Q HN 0.953 nan 8.270 nan 0.000 0.466 371 G N 1.788 110.211 108.800 -0.629 0.000 1.787 371 G HA2 0.126 4.086 3.960 0.001 0.000 0.235 371 G HA3 0.126 4.086 3.960 0.001 0.000 0.235 371 G C -0.813 173.888 174.900 -0.331 0.000 1.736 371 G CA -0.974 43.859 45.100 -0.446 0.000 0.927 371 G HN 0.426 nan 8.290 nan 0.000 0.646 372 R N 0.414 120.838 120.500 -0.126 0.000 1.826 372 R HA -0.147 4.193 4.340 0.001 0.000 0.359 372 R C -1.206 175.119 176.300 0.042 0.000 1.240 372 R CA 0.699 56.783 56.100 -0.027 0.000 1.176 372 R CB -0.846 29.452 30.300 -0.004 0.000 3.343 372 R HN 0.779 nan 8.270 nan 0.000 0.487 373 V N 7.976 127.860 119.914 -0.051 0.000 2.384 373 V HA 0.343 4.463 4.120 0.001 0.000 0.287 373 V C -1.636 174.288 176.094 -0.282 0.000 1.020 373 V CA -1.629 60.502 62.300 -0.282 0.000 0.850 373 V CB 1.805 33.531 31.823 -0.161 0.000 0.987 373 V HN 0.710 nan 8.190 nan 0.000 0.436 374 P HA -0.035 nan 4.420 nan 0.000 0.264 374 P C -1.250 175.956 177.300 -0.155 0.000 1.179 374 P CA 0.375 63.336 63.100 -0.232 0.000 0.763 374 P CB 0.124 31.668 31.700 -0.261 0.000 0.806 375 Y N 4.095 124.291 120.300 -0.174 0.000 2.352 375 Y HA 0.458 5.009 4.550 0.001 0.000 0.339 375 Y C -2.303 173.448 175.900 -0.248 0.000 0.992 375 Y CA -2.687 55.306 58.100 -0.179 0.000 1.100 375 Y CB 0.814 39.191 38.460 -0.137 0.000 1.192 375 Y HN 0.382 nan 8.280 nan 0.000 0.458 376 P HA 0.151 nan 4.420 nan 0.000 0.271 376 P C -1.091 175.891 177.300 -0.531 0.000 1.233 376 P CA -0.449 61.864 63.100 -1.310 0.000 0.789 376 P CB 0.503 31.548 31.700 -1.092 0.000 0.951 377 R N 2.828 123.136 120.500 -0.319 0.000 2.458 377 R HA 0.079 4.420 4.340 0.001 0.000 0.303 377 R C -1.946 174.311 176.300 -0.071 0.000 1.013 377 R CA -1.144 54.885 56.100 -0.119 0.000 1.026 377 R CB -0.360 29.929 30.300 -0.018 0.000 0.948 377 R HN 0.356 nan 8.270 nan 0.000 0.417 378 P HA 0.015 nan 4.420 nan 0.000 0.267 378 P C 0.257 177.628 177.300 0.118 0.000 1.209 378 P CA 0.824 63.940 63.100 0.027 0.000 0.763 378 P CB 1.163 32.869 31.700 0.010 0.000 0.816 379 G N 2.304 111.136 108.800 0.054 0.000 2.352 379 G HA2 -0.159 3.802 3.960 0.001 0.000 0.204 379 G HA3 -0.159 3.802 3.960 0.001 0.000 0.204 379 G C 0.165 175.043 174.900 -0.037 0.000 1.004 379 G CA -0.292 44.796 45.100 -0.020 0.000 0.648 379 G HN 0.583 nan 8.290 nan 0.000 0.491 380 T N 2.190 116.746 114.554 0.004 0.000 2.851 380 T HA 0.442 4.793 4.350 0.001 0.000 0.298 380 T C 0.926 175.666 174.700 0.067 0.000 0.977 380 T CA 0.267 62.378 62.100 0.017 0.000 1.126 380 T CB 0.969 69.841 68.868 0.007 0.000 0.916 380 T HN 0.527 nan 8.240 nan 0.000 0.529 381 c N 6.483 125.109 118.600 0.044 0.000 2.652 381 c HA 0.258 4.828 4.570 0.001 0.000 0.412 381 c C -1.453 172.658 174.090 0.034 0.000 1.294 381 c CA -1.480 54.867 56.329 0.029 0.000 2.127 381 c CB -0.537 41.968 42.510 -0.008 0.000 2.691 381 c HN 0.647 nan 8.230 nan 0.000 0.615 382 P HA 0.048 nan 4.420 nan 0.000 0.262 382 P C -0.508 176.536 177.300 -0.426 0.000 1.199 382 P CA 0.805 63.520 63.100 -0.642 0.000 0.763 382 P CB 0.623 31.965 31.700 -0.597 0.000 0.790 383 S N 2.882 118.368 115.700 -0.356 0.000 2.472 383 S HA 0.300 4.771 4.470 0.001 0.000 0.303 383 S C 0.490 175.100 174.600 0.016 0.000 1.099 383 S CA -0.788 57.416 58.200 0.007 0.000 1.077 383 S CB 0.705 64.082 63.200 0.293 0.000 1.031 383 S HN 0.236 nan 8.310 nan 0.000 0.487 384 K N 2.855 123.266 120.400 0.019 0.000 2.708 384 K HA 0.200 4.521 4.320 0.001 0.000 0.219 384 K C 0.403 177.025 176.600 0.036 0.000 1.068 384 K CA 0.095 56.394 56.287 0.020 0.000 1.212 384 K CB 0.182 32.679 32.500 -0.005 0.000 0.978 384 K HN 0.585 nan 8.250 nan 0.000 0.475 385 T N -1.030 113.570 114.554 0.077 0.000 3.057 385 T HA 0.210 4.561 4.350 0.001 0.000 0.254 385 T C -0.171 174.343 174.700 -0.311 0.000 0.965 385 T CA 0.003 62.022 62.100 -0.135 0.000 0.978 385 T CB 0.239 69.009 68.868 -0.163 0.000 1.169 385 T HN -0.059 nan 8.240 nan 0.000 0.489 386 F N 0.867 120.927 119.950 0.182 0.000 2.507 386 F HA 0.648 5.175 4.527 0.001 0.000 0.325 386 F C 1.435 177.421 175.800 0.311 0.000 1.116 386 F CA -0.472 57.661 58.000 0.222 0.000 0.930 386 F CB 1.636 40.770 39.000 0.222 0.000 1.146 386 F HN 0.258 nan 8.300 nan 0.000 0.447 387 G N 1.221 110.276 108.800 0.425 0.000 2.377 387 G HA2 -0.197 3.764 3.960 0.001 0.000 0.250 387 G HA3 -0.197 3.764 3.960 0.001 0.000 0.250 387 G C 1.438 176.559 174.900 0.368 0.000 1.039 387 G CA 0.640 45.938 45.100 0.331 0.000 0.625 387 G HN 1.929 nan 8.290 nan 0.000 0.526 388 G N -0.072 108.974 108.800 0.410 0.000 2.270 388 G HA2 -0.201 3.760 3.960 0.001 0.000 0.268 388 G HA3 -0.201 3.760 3.960 0.001 0.000 0.268 388 G C 0.762 175.843 174.900 0.303 0.000 0.982 388 G CA 1.117 46.382 45.100 0.274 0.000 0.628 388 G HN 2.305 nan 8.290 nan 0.000 0.544 389 F N 1.476 121.458 119.950 0.054 0.000 2.514 389 F HA 0.450 4.978 4.527 0.001 0.000 0.399 389 F C -0.185 175.641 175.800 0.043 0.000 1.011 389 F CA -0.912 57.111 58.000 0.038 0.000 1.109 389 F CB 0.174 39.188 39.000 0.023 0.000 0.980 389 F HN -0.041 nan 8.300 nan 0.000 0.538 390 D N 3.826 124.212 120.400 -0.023 0.000 2.308 390 D HA 0.252 4.892 4.640 0.001 0.000 0.251 390 D C 0.088 176.344 176.300 -0.074 0.000 1.127 390 D CA 0.459 54.404 54.000 -0.092 0.000 0.876 390 D CB 1.500 42.290 40.800 -0.017 0.000 1.176 390 D HN 0.895 nan 8.370 nan 0.000 0.446 391 S N 1.206 116.848 115.700 -0.098 0.000 3.446 391 S HA -0.217 4.253 4.470 0.001 0.000 0.855 391 S C 1.438 176.048 174.600 0.016 0.000 1.192 391 S CA 0.762 58.969 58.200 0.012 0.000 0.926 391 S CB -0.601 62.652 63.200 0.089 0.000 0.618 391 S HN 0.676 nan 8.310 nan 0.000 0.281 392 T N 1.991 116.583 114.554 0.063 0.000 2.759 392 T HA -0.114 4.237 4.350 0.001 0.000 0.269 392 T C 1.544 176.332 174.700 0.146 0.000 1.042 392 T CA 1.537 63.703 62.100 0.110 0.000 1.140 392 T CB -0.499 68.425 68.868 0.094 0.000 0.864 392 T HN 0.808 nan 8.240 nan 0.000 0.455 393 K N 1.376 121.861 120.400 0.141 0.000 2.520 393 K HA -0.057 4.264 4.320 0.001 0.000 0.197 393 K C 0.479 177.175 176.600 0.161 0.000 1.043 393 K CA 1.037 57.424 56.287 0.166 0.000 0.944 393 K CB -0.059 32.528 32.500 0.144 0.000 0.770 393 K HN 0.504 nan 8.250 nan 0.000 0.480 394 D N 0.808 121.282 120.400 0.124 0.000 2.755 394 D HA 0.153 4.794 4.640 0.001 0.000 0.257 394 D C -0.312 176.070 176.300 0.137 0.000 1.291 394 D CA 0.034 54.084 54.000 0.083 0.000 0.836 394 D CB 0.316 41.165 40.800 0.081 0.000 1.059 394 D HN 0.063 nan 8.370 nan 0.000 0.486 395 L N 0.760 122.069 121.223 0.144 0.000 2.334 395 L HA 0.404 4.745 4.340 0.001 0.000 0.272 395 L C -1.971 174.936 176.870 0.061 0.000 1.020 395 L CA -1.739 53.185 54.840 0.140 0.000 0.812 395 L CB 1.470 43.632 42.059 0.172 0.000 1.264 395 L HN -0.225 nan 8.230 nan 0.000 0.439 396 P HA 0.005 nan 4.420 nan 0.000 0.272 396 P C -0.444 176.880 177.300 0.041 0.000 1.248 396 P CA -0.180 62.930 63.100 0.017 0.000 0.799 396 P CB 0.545 32.244 31.700 -0.002 0.000 0.997 397 D N -0.436 119.991 120.400 0.046 0.000 2.213 397 D HA -0.122 4.519 4.640 0.001 0.000 0.205 397 D C 1.342 177.687 176.300 0.076 0.000 0.961 397 D CA 0.984 55.024 54.000 0.067 0.000 0.853 397 D CB -0.491 40.347 40.800 0.062 0.000 0.967 397 D HN 0.519 nan 8.370 nan 0.000 0.496 398 D N 1.017 121.455 120.400 0.064 0.000 2.219 398 D HA -0.126 4.514 4.640 0.001 0.000 0.205 398 D C 1.830 178.183 176.300 0.088 0.000 0.970 398 D CA 0.765 54.814 54.000 0.080 0.000 0.851 398 D CB -0.404 40.430 40.800 0.057 0.000 0.943 398 D HN 0.271 nan 8.370 nan 0.000 0.488 399 V N -2.354 117.589 119.914 0.048 0.000 3.623 399 V HA 0.118 4.239 4.120 0.001 0.000 0.271 399 V C 1.660 177.815 176.094 0.101 0.000 1.248 399 V CA 0.071 62.391 62.300 0.032 0.000 1.156 399 V CB -0.327 31.473 31.823 -0.038 0.000 0.870 399 V HN 0.026 nan 8.190 nan 0.000 0.453 400 I N 0.249 120.893 120.570 0.123 0.000 3.883 400 I HA 0.064 4.235 4.170 0.001 0.000 0.305 400 I C 2.308 178.520 176.117 0.159 0.000 1.247 400 I CA 1.155 62.542 61.300 0.144 0.000 1.350 400 I CB -0.719 37.359 38.000 0.130 0.000 1.194 400 I HN 0.245 nan 8.210 nan 0.000 0.441 401 T N 1.232 115.874 114.554 0.148 0.000 2.821 401 T HA -0.074 4.277 4.350 0.001 0.000 0.267 401 T C 0.758 175.540 174.700 0.137 0.000 1.046 401 T CA 0.861 63.040 62.100 0.132 0.000 1.139 401 T CB -0.290 68.648 68.868 0.117 0.000 0.871 401 T HN 0.015 nan 8.240 nan 0.000 0.454 402 F N 0.389 120.361 119.950 0.037 0.000 2.399 402 F HA 0.440 4.967 4.527 0.001 0.000 0.313 402 F C 1.412 177.220 175.800 0.013 0.000 1.202 402 F CA 0.119 58.127 58.000 0.014 0.000 1.192 402 F CB 0.395 39.288 39.000 -0.178 0.000 1.256 402 F HN 0.230 nan 8.300 nan 0.000 0.558 403 A N 1.593 124.458 122.820 0.075 0.000 3.275 403 A HA -0.435 3.886 4.320 0.001 0.000 0.241 403 A C 1.809 179.393 177.584 -0.000 0.000 0.607 403 A CA 1.919 53.998 52.037 0.070 0.000 1.181 403 A CB -1.849 17.239 19.000 0.146 0.000 1.304 403 A HN 0.841 nan 8.150 nan 0.000 0.682 404 R N 1.521 122.101 120.500 0.132 0.000 2.115 404 R HA 0.008 4.349 4.340 0.001 0.000 0.230 404 R C 1.716 178.164 176.300 0.246 0.000 1.111 404 R CA 2.701 58.997 56.100 0.326 0.000 0.976 404 R CB -0.453 30.004 30.300 0.262 0.000 0.870 404 R HN 1.190 nan 8.270 nan 0.000 0.445 405 S N -1.243 114.424 115.700 -0.054 0.000 2.664 405 S HA 0.212 4.683 4.470 0.001 0.000 0.245 405 S C -0.355 173.858 174.600 -0.644 0.000 1.019 405 S CA -0.753 57.295 58.200 -0.253 0.000 0.996 405 S CB -0.004 62.986 63.200 -0.349 0.000 0.878 405 S HN 0.394 nan 8.310 nan 0.000 0.493 406 H N 0.845 119.746 119.070 -0.281 0.000 2.947 406 H HA 0.274 4.831 4.556 0.001 0.000 0.222 406 H C -2.611 172.607 175.328 -0.183 0.000 1.414 406 H CA -1.036 54.848 56.048 -0.273 0.000 1.224 406 H CB 0.943 30.307 29.762 -0.664 0.000 2.100 406 H HN 0.299 nan 8.280 nan 0.000 0.524 407 P HA -0.000 nan 4.420 nan 0.000 0.223 407 P C 0.543 177.657 177.300 -0.309 0.000 1.151 407 P CA 0.658 63.498 63.100 -0.434 0.000 0.787 407 P CB 0.607 31.915 31.700 -0.655 0.000 0.788 408 A N -0.223 122.507 122.820 -0.150 0.000 2.317 408 A HA 0.647 4.967 4.320 0.001 0.000 0.327 408 A C 0.045 177.607 177.584 -0.037 0.000 1.178 408 A CA -0.521 51.430 52.037 -0.143 0.000 0.817 408 A CB 0.466 19.321 19.000 -0.243 0.000 1.189 408 A HN -0.196 nan 8.150 nan 0.000 0.489 409 M N 1.686 121.256 119.600 -0.049 0.000 2.255 409 M HA 0.169 4.650 4.480 0.001 0.000 0.336 409 M C 0.701 176.987 176.300 -0.023 0.000 1.135 409 M CA -0.088 55.204 55.300 -0.012 0.000 1.145 409 M CB 0.136 32.717 32.600 -0.033 0.000 1.473 409 M HN 0.911 nan 8.290 nan 0.000 0.462 410 Y N 2.940 123.206 120.300 -0.056 0.000 2.117 410 Y HA 0.008 4.559 4.550 0.001 0.000 0.277 410 Y C 0.459 176.300 175.900 -0.098 0.000 1.104 410 Y CA 1.211 59.286 58.100 -0.041 0.000 1.089 410 Y CB -0.209 38.293 38.460 0.070 0.000 0.999 410 Y HN 0.668 nan 8.280 nan 0.000 0.480 411 N N 3.315 121.996 118.700 -0.032 0.000 2.356 411 N HA 0.036 4.776 4.740 0.001 0.000 0.252 411 N C -2.612 172.733 175.510 -0.274 0.000 1.241 411 N CA -0.786 52.171 53.050 -0.156 0.000 0.861 411 N CB 0.216 38.696 38.487 -0.011 0.000 1.075 411 N HN 0.222 nan 8.380 nan 0.000 0.461 412 P HA 0.106 nan 4.420 nan 0.000 0.285 412 P C -0.965 176.040 177.300 -0.492 0.000 1.280 412 P CA -0.514 62.286 63.100 -0.500 0.000 0.862 412 P CB 1.446 32.752 31.700 -0.656 0.000 1.153 413 V N 3.022 122.676 119.914 -0.435 0.000 2.334 413 V HA 0.321 4.442 4.120 0.001 0.000 0.267 413 V C -0.623 175.383 176.094 -0.146 0.000 1.040 413 V CA -0.516 61.626 62.300 -0.264 0.000 0.866 413 V CB -1.485 30.181 31.823 -0.262 0.000 1.019 413 V HN 0.244 nan 8.190 nan 0.000 0.468 414 F N 8.898 128.876 119.950 0.047 0.000 2.410 414 F HA 0.475 5.003 4.527 0.001 0.000 0.334 414 F C -1.351 174.485 175.800 0.060 0.000 1.134 414 F CA -1.588 56.448 58.000 0.061 0.000 1.227 414 F CB 0.763 39.752 39.000 -0.019 0.000 1.194 414 F HN 0.422 nan 8.300 nan 0.000 0.571 415 P HA 0.084 nan 4.420 nan 0.000 0.272 415 P C -0.317 176.809 177.300 -0.290 0.000 1.240 415 P CA -0.127 62.627 63.100 -0.576 0.000 0.791 415 P CB 0.786 32.075 31.700 -0.685 0.000 0.978 416 I N 1.663 122.026 120.570 -0.346 0.000 2.742 416 I HA -0.132 4.039 4.170 0.001 0.000 0.287 416 I C 1.504 177.446 176.117 -0.292 0.000 1.186 416 I CA 1.012 62.191 61.300 -0.200 0.000 1.417 416 I CB -1.077 36.823 38.000 -0.167 0.000 1.377 416 I HN 0.674 nan 8.210 nan 0.000 0.556 417 N N 4.489 123.061 118.700 -0.213 0.000 2.948 417 N HA -0.221 4.519 4.740 0.001 0.000 0.239 417 N C 0.146 175.516 175.510 -0.235 0.000 0.954 417 N CA 0.656 53.517 53.050 -0.315 0.000 0.941 417 N CB -0.405 37.607 38.487 -0.792 0.000 1.101 417 N HN 0.883 nan 8.380 nan 0.000 0.579 418 N N -1.327 117.259 118.700 -0.191 0.000 2.800 418 N HA -0.207 4.533 4.740 0.001 0.000 0.250 418 N C -0.547 174.853 175.510 -0.183 0.000 1.078 418 N CA 1.979 54.925 53.050 -0.174 0.000 0.804 418 N CB -1.009 37.345 38.487 -0.222 0.000 1.135 418 N HN 0.828 nan 8.380 nan 0.000 0.565 419 R N -1.331 119.025 120.500 -0.240 0.000 2.663 419 R HA 0.567 4.908 4.340 0.001 0.000 0.267 419 R C -3.288 172.835 176.300 -0.295 0.000 1.038 419 R CA -1.348 54.608 56.100 -0.241 0.000 0.886 419 R CB 1.805 31.979 30.300 -0.211 0.000 1.249 419 R HN -0.253 nan 8.270 nan 0.000 0.463 420 P HA 0.148 nan 4.420 nan 0.000 0.274 420 P C 0.631 177.793 177.300 -0.231 0.000 1.237 420 P CA -0.553 62.367 63.100 -0.300 0.000 0.793 420 P CB 0.811 32.291 31.700 -0.367 0.000 0.977 421 I N -2.001 118.466 120.570 -0.172 0.000 3.793 421 I HA 0.364 4.535 4.170 0.001 0.000 0.315 421 I C 0.773 176.857 176.117 -0.054 0.000 1.275 421 I CA 0.330 61.561 61.300 -0.115 0.000 1.214 421 I CB -0.202 37.760 38.000 -0.063 0.000 1.018 421 I HN 0.207 nan 8.210 nan 0.000 0.439 422 M N 1.568 121.134 119.600 -0.057 0.000 2.490 422 M HA 0.586 5.067 4.480 0.001 0.000 0.286 422 M C -2.466 173.799 176.300 -0.058 0.000 1.185 422 M CA -0.429 54.869 55.300 -0.002 0.000 0.912 422 M CB 2.793 35.454 32.600 0.102 0.000 1.744 422 M HN 0.053 nan 8.290 nan 0.000 0.494 423 I N 2.702 123.246 120.570 -0.043 0.000 2.692 423 I HA 0.483 4.653 4.170 0.001 0.000 0.293 423 I C -1.450 174.640 176.117 -0.044 0.000 1.200 423 I CA -0.703 60.529 61.300 -0.113 0.000 1.036 423 I CB 2.621 40.545 38.000 -0.127 0.000 1.258 423 I HN 0.618 nan 8.210 nan 0.000 0.421 424 K N 2.741 123.076 120.400 -0.110 0.000 2.545 424 K HA 0.628 4.948 4.320 0.001 0.000 0.252 424 K C -0.472 176.066 176.600 -0.103 0.000 0.948 424 K CA -0.255 55.967 56.287 -0.109 0.000 0.827 424 K CB 1.950 34.340 32.500 -0.183 0.000 1.128 424 K HN 0.624 nan 8.250 nan 0.000 0.429 425 T N 1.007 115.526 114.554 -0.059 0.000 3.311 425 T HA -0.036 4.315 4.350 0.001 0.000 0.239 425 T C 0.447 175.105 174.700 -0.070 0.000 0.976 425 T CA 0.705 62.781 62.100 -0.039 0.000 1.283 425 T CB -0.213 68.654 68.868 -0.001 0.000 1.113 425 T HN 0.740 nan 8.240 nan 0.000 0.392 426 D N 1.738 122.105 120.400 -0.055 0.000 2.322 426 D HA -0.050 4.590 4.640 0.001 0.000 0.210 426 D C 0.834 177.072 176.300 -0.104 0.000 0.983 426 D CA 0.265 54.233 54.000 -0.054 0.000 0.902 426 D CB -0.739 40.040 40.800 -0.035 0.000 0.905 426 D HN 0.193 nan 8.370 nan 0.000 0.483 427 V N 1.355 121.153 119.914 -0.194 0.000 3.185 427 V HA 0.007 4.127 4.120 0.001 0.000 0.305 427 V C 0.968 176.861 176.094 -0.336 0.000 1.090 427 V CA 0.083 62.170 62.300 -0.354 0.000 1.107 427 V CB 1.028 32.403 31.823 -0.747 0.000 1.061 427 V HN 0.363 nan 8.190 nan 0.000 0.480 428 N N 1.354 119.860 118.700 -0.324 0.000 2.276 428 N HA 0.163 4.903 4.740 0.001 0.000 0.212 428 N C -0.577 174.913 175.510 -0.032 0.000 1.127 428 N CA -0.235 52.739 53.050 -0.128 0.000 0.834 428 N CB 0.054 38.532 38.487 -0.015 0.000 1.014 428 N HN 0.620 nan 8.380 nan 0.000 0.491 429 Y N -2.382 117.949 120.300 0.051 0.000 2.669 429 Y HA 0.637 5.188 4.550 0.001 0.000 0.335 429 Y C -1.167 174.773 175.900 0.068 0.000 1.116 429 Y CA -1.594 56.549 58.100 0.071 0.000 1.081 429 Y CB 0.971 39.492 38.460 0.102 0.000 1.297 429 Y HN -0.129 nan 8.280 nan 0.000 0.484 430 Q N 0.942 120.991 119.800 0.415 0.000 2.397 430 Q HA 0.462 4.803 4.340 0.001 0.000 0.275 430 Q C -1.386 174.885 176.000 0.452 0.000 1.090 430 Q CA -0.883 55.096 55.803 0.293 0.000 0.809 430 Q CB 3.097 31.933 28.738 0.163 0.000 1.362 430 Q HN 0.687 nan 8.270 nan 0.000 0.431 431 F N 0.927 121.013 119.950 0.226 0.000 2.553 431 F HA 0.018 4.546 4.527 0.001 0.000 0.356 431 F C 1.494 177.356 175.800 0.104 0.000 1.142 431 F CA 0.554 58.645 58.000 0.152 0.000 1.322 431 F CB 0.865 39.954 39.000 0.149 0.000 1.126 431 F HN 0.748 nan 8.300 nan 0.000 0.599 432 T N -2.332 112.362 114.554 0.233 0.000 3.046 432 T HA 0.193 4.543 4.350 0.001 0.000 0.270 432 T C -0.003 174.737 174.700 0.065 0.000 0.920 432 T CA -0.184 61.992 62.100 0.127 0.000 0.874 432 T CB 0.671 69.592 68.868 0.088 0.000 1.214 432 T HN 0.518 nan 8.240 nan 0.000 0.536 433 Q N 0.006 119.829 119.800 0.038 0.000 2.575 433 Q HA 0.667 5.008 4.340 0.001 0.000 0.290 433 Q C -1.862 174.118 176.000 -0.033 0.000 0.963 433 Q CA -0.680 55.126 55.803 0.006 0.000 0.783 433 Q CB 3.133 31.865 28.738 -0.009 0.000 1.467 433 Q HN 0.456 nan 8.270 nan 0.000 0.402 434 I N 0.327 120.877 120.570 -0.032 0.000 2.828 434 I HA 0.661 4.832 4.170 0.001 0.000 0.295 434 I C -1.723 174.293 176.117 -0.167 0.000 1.459 434 I CA -0.831 60.417 61.300 -0.088 0.000 1.015 434 I CB 2.189 40.164 38.000 -0.042 0.000 1.345 434 I HN 0.511 nan 8.210 nan 0.000 0.449 435 V N 4.357 124.046 119.914 -0.375 0.000 3.147 435 V HA 0.872 4.992 4.120 0.001 0.000 0.299 435 V C -1.994 173.596 176.094 -0.841 0.000 1.302 435 V CA -0.639 61.091 62.300 -0.950 0.000 1.015 435 V CB 1.296 32.710 31.823 -0.682 0.000 1.086 435 V HN 0.821 nan 8.190 nan 0.000 0.437 436 V N 1.089 120.283 119.914 -1.201 0.000 3.049 436 V HA 0.864 4.984 4.120 0.001 0.000 0.309 436 V C -1.959 173.932 176.094 -0.338 0.000 1.148 436 V CA -0.065 61.918 62.300 -0.529 0.000 0.990 436 V CB 2.097 33.616 31.823 -0.507 0.000 1.039 436 V HN 1.311 nan 8.190 nan 0.000 0.430 437 D N 3.001 123.327 120.400 -0.124 0.000 2.350 437 D HA 0.435 5.075 4.640 0.001 0.000 0.245 437 D C -0.532 175.803 176.300 0.057 0.000 1.036 437 D CA -0.514 53.469 54.000 -0.028 0.000 0.848 437 D CB 2.237 43.004 40.800 -0.054 0.000 1.307 437 D HN 0.749 nan 8.370 nan 0.000 0.469 438 R N 3.259 123.805 120.500 0.077 0.000 2.235 438 R HA 0.422 4.762 4.340 0.001 0.000 0.338 438 R C -1.195 175.152 176.300 0.078 0.000 1.087 438 R CA -0.505 55.647 56.100 0.086 0.000 0.948 438 R CB 0.210 30.562 30.300 0.087 0.000 1.099 438 R HN 0.164 nan 8.270 nan 0.000 0.483 439 V N 4.607 124.578 119.914 0.095 0.000 2.407 439 V HA 0.151 4.272 4.120 0.001 0.000 0.278 439 V C -0.419 175.719 176.094 0.072 0.000 1.037 439 V CA -0.625 61.729 62.300 0.090 0.000 0.900 439 V CB 1.500 33.395 31.823 0.119 0.000 0.983 439 V HN 0.766 nan 8.190 nan 0.000 0.459 440 D N 3.976 124.403 120.400 0.044 0.000 2.295 440 D HA 0.566 5.206 4.640 0.001 0.000 0.248 440 D C 0.151 176.469 176.300 0.031 0.000 1.154 440 D CA 0.160 54.169 54.000 0.016 0.000 0.857 440 D CB 1.328 42.132 40.800 0.006 0.000 1.117 440 D HN 0.780 nan 8.370 nan 0.000 0.468 441 A N 2.203 125.044 122.820 0.035 0.000 2.320 441 A HA 0.406 4.727 4.320 0.001 0.000 0.334 441 A C 0.204 177.809 177.584 0.035 0.000 1.147 441 A CA -0.798 51.282 52.037 0.073 0.000 0.820 441 A CB 0.692 19.815 19.000 0.206 0.000 1.218 441 A HN 0.465 nan 8.150 nan 0.000 0.482 442 E N 1.818 122.038 120.200 0.033 0.000 2.888 442 E HA 0.122 4.472 4.350 0.001 0.000 0.271 442 E C -0.541 176.074 176.600 0.025 0.000 1.527 442 E CA 0.833 57.243 56.400 0.017 0.000 1.700 442 E CB -0.247 29.459 29.700 0.010 0.000 1.410 442 E HN 0.548 nan 8.360 nan 0.000 0.445 443 D N -1.488 118.931 120.400 0.031 0.000 4.559 443 D HA 0.146 4.786 4.640 0.001 0.000 0.212 443 D C 0.283 176.588 176.300 0.008 0.000 1.399 443 D CA 0.054 54.078 54.000 0.041 0.000 0.822 443 D CB -0.832 40.018 40.800 0.083 0.000 1.402 443 D HN 0.223 nan 8.370 nan 0.000 0.901 444 G N 1.065 109.814 108.800 -0.085 0.000 2.555 444 G HA2 0.111 4.071 3.960 0.001 0.000 0.686 444 G HA3 0.111 4.071 3.960 0.001 0.000 0.686 444 G C -1.074 173.584 174.900 -0.403 0.000 1.275 444 G CA -0.449 44.497 45.100 -0.257 0.000 0.871 444 G HN 0.569 nan 8.290 nan 0.000 0.603 445 Q N -0.769 118.727 119.800 -0.506 0.000 2.337 445 Q HA 0.775 5.115 4.340 0.001 0.000 0.266 445 Q C -1.496 174.177 176.000 -0.544 0.000 1.023 445 Q CA -1.008 54.568 55.803 -0.378 0.000 0.829 445 Q CB 2.021 30.670 28.738 -0.148 0.000 1.306 445 Q HN 0.664 nan 8.270 nan 0.000 0.449 446 Y N 0.133 120.455 120.300 0.038 0.000 2.446 446 Y HA 0.297 4.848 4.550 0.001 0.000 0.345 446 Y C -0.490 175.443 175.900 0.055 0.000 0.984 446 Y CA -1.194 56.932 58.100 0.045 0.000 1.058 446 Y CB 1.788 40.265 38.460 0.028 0.000 1.220 446 Y HN 0.599 nan 8.280 nan 0.000 0.455 447 D N 2.636 123.166 120.400 0.217 0.000 2.352 447 D HA 0.199 4.840 4.640 0.001 0.000 0.245 447 D C -0.701 175.662 176.300 0.105 0.000 1.224 447 D CA 0.122 54.211 54.000 0.149 0.000 0.879 447 D CB 1.310 42.224 40.800 0.191 0.000 1.057 447 D HN 0.181 nan 8.370 nan 0.000 0.491 448 V N 4.521 124.493 119.914 0.097 0.000 2.385 448 V HA 0.214 4.335 4.120 0.001 0.000 0.269 448 V C 0.700 176.841 176.094 0.078 0.000 1.043 448 V CA -0.399 61.946 62.300 0.075 0.000 0.906 448 V CB 0.801 32.708 31.823 0.139 0.000 0.995 448 V HN 0.350 nan 8.190 nan 0.000 0.467 449 M N 5.468 125.047 119.600 -0.036 0.000 2.233 449 M HA 0.524 5.004 4.480 0.001 0.000 0.355 449 M C -1.158 175.107 176.300 -0.057 0.000 1.191 449 M CA -0.062 55.201 55.300 -0.062 0.000 1.101 449 M CB 1.171 33.693 32.600 -0.130 0.000 1.592 449 M HN 0.404 nan 8.290 nan 0.000 0.461 450 F N 3.574 123.369 119.950 -0.257 0.000 2.443 450 F HA 0.477 5.005 4.527 0.001 0.000 0.369 450 F C -0.240 175.406 175.800 -0.256 0.000 1.090 450 F CA -0.676 57.187 58.000 -0.228 0.000 1.129 450 F CB 0.398 39.271 39.000 -0.212 0.000 1.367 450 F HN 0.397 nan 8.300 nan 0.000 0.465 451 I N 2.579 123.035 120.570 -0.189 0.000 2.352 451 I HA 0.352 4.523 4.170 0.001 0.000 0.290 451 I C 0.969 176.931 176.117 -0.257 0.000 1.036 451 I CA -0.342 60.765 61.300 -0.321 0.000 1.336 451 I CB 0.818 38.400 38.000 -0.696 0.000 1.407 451 I HN 0.606 nan 8.210 nan 0.000 0.497 452 G N 4.322 113.026 108.800 -0.160 0.000 2.395 452 G HA2 0.494 4.455 3.960 0.001 0.000 0.283 452 G HA3 0.494 4.455 3.960 0.001 0.000 0.283 452 G C -0.336 174.530 174.900 -0.055 0.000 1.178 452 G CA -0.132 44.918 45.100 -0.083 0.000 0.837 452 G HN 0.516 nan 8.290 nan 0.000 0.518 453 T N 0.431 114.961 114.554 -0.040 0.000 2.940 453 T HA 0.304 4.654 4.350 0.001 0.000 0.288 453 T C 0.866 175.600 174.700 0.057 0.000 1.033 453 T CA -0.219 61.885 62.100 0.007 0.000 1.033 453 T CB 1.625 70.366 68.868 -0.212 0.000 1.079 453 T HN 0.636 nan 8.240 nan 0.000 0.496 454 D N 0.341 120.807 120.400 0.109 0.000 2.363 454 D HA -0.019 4.622 4.640 0.001 0.000 0.226 454 D C 1.173 177.521 176.300 0.080 0.000 1.020 454 D CA 0.279 54.337 54.000 0.097 0.000 0.892 454 D CB -0.174 40.695 40.800 0.116 0.000 0.900 454 D HN 0.228 nan 8.370 nan 0.000 0.531 455 V N -0.504 119.446 119.914 0.059 0.000 3.644 455 V HA 0.378 4.499 4.120 0.001 0.000 0.267 455 V C 1.729 177.861 176.094 0.063 0.000 1.277 455 V CA 0.637 62.969 62.300 0.053 0.000 1.096 455 V CB 0.230 32.079 31.823 0.043 0.000 0.828 455 V HN 0.513 nan 8.190 nan 0.000 0.446 456 G N 0.370 109.223 108.800 0.088 0.000 2.148 456 G HA2 -0.201 3.760 3.960 0.001 0.000 0.203 456 G HA3 -0.201 3.760 3.960 0.001 0.000 0.203 456 G C 0.294 175.255 174.900 0.101 0.000 0.993 456 G CA 0.287 45.520 45.100 0.222 0.000 0.661 456 G HN 0.508 nan 8.290 nan 0.000 0.518 457 T N -0.355 114.184 114.554 -0.024 0.000 2.940 457 T HA 0.686 5.037 4.350 0.001 0.000 0.288 457 T C -0.192 174.431 174.700 -0.128 0.000 1.033 457 T CA -0.175 61.867 62.100 -0.097 0.000 1.033 457 T CB 1.929 70.701 68.868 -0.160 0.000 1.079 457 T HN 0.633 nan 8.240 nan 0.000 0.496 458 V N 4.927 124.761 119.914 -0.133 0.000 2.604 458 V HA 0.578 4.698 4.120 0.001 0.000 0.305 458 V C -0.550 175.442 176.094 -0.170 0.000 1.043 458 V CA -0.807 61.411 62.300 -0.137 0.000 0.888 458 V CB 1.634 33.400 31.823 -0.095 0.000 0.995 458 V HN 0.742 nan 8.190 nan 0.000 0.429 459 L N 3.708 124.807 121.223 -0.206 0.000 2.346 459 L HA 0.667 5.008 4.340 0.001 0.000 0.274 459 L C -0.375 176.311 176.870 -0.307 0.000 1.007 459 L CA -0.697 54.014 54.840 -0.214 0.000 0.818 459 L CB 1.894 43.847 42.059 -0.176 0.000 1.284 459 L HN 0.524 nan 8.230 nan 0.000 0.424 460 K N 2.484 122.679 120.400 -0.341 0.000 2.425 460 K HA 0.674 4.994 4.320 0.001 0.000 0.259 460 K C -1.482 174.941 176.600 -0.294 0.000 0.978 460 K CA -0.430 55.549 56.287 -0.514 0.000 0.883 460 K CB 1.522 33.639 32.500 -0.637 0.000 1.110 460 K HN 0.435 nan 8.250 nan 0.000 0.436 461 V N 3.600 123.367 119.914 -0.244 0.000 2.914 461 V HA 0.531 4.652 4.120 0.001 0.000 0.314 461 V C -0.707 175.331 176.094 -0.092 0.000 1.084 461 V CA -0.980 61.242 62.300 -0.129 0.000 0.963 461 V CB 2.053 33.831 31.823 -0.075 0.000 1.025 461 V HN 0.458 nan 8.190 nan 0.000 0.432 462 V N 1.927 121.804 119.914 -0.062 0.000 2.656 462 V HA 0.492 4.613 4.120 0.001 0.000 0.307 462 V C 0.153 176.241 176.094 -0.011 0.000 1.051 462 V CA -0.413 61.867 62.300 -0.033 0.000 0.893 462 V CB 2.309 34.081 31.823 -0.085 0.000 0.999 462 V HN 0.989 nan 8.190 nan 0.000 0.426 463 S N 2.367 118.090 115.700 0.038 0.000 2.460 463 S HA 0.306 4.776 4.470 0.001 0.000 0.211 463 S C -0.290 174.352 174.600 0.071 0.000 1.312 463 S CA -0.418 57.809 58.200 0.044 0.000 1.256 463 S CB 0.699 63.935 63.200 0.060 0.000 1.086 463 S HN 0.614 nan 8.310 nan 0.000 0.507 464 V N 3.823 123.763 119.914 0.044 0.000 2.599 464 V HA 0.252 4.372 4.120 0.001 0.000 0.300 464 V C -2.106 174.040 176.094 0.086 0.000 1.034 464 V CA -1.809 60.545 62.300 0.091 0.000 1.115 464 V CB 0.623 32.427 31.823 -0.032 0.000 0.934 464 V HN 0.523 nan 8.190 nan 0.000 0.485 465 P HA 0.082 nan 4.420 nan 0.000 0.267 465 P C -0.601 176.753 177.300 0.089 0.000 1.328 465 P CA -0.171 62.996 63.100 0.112 0.000 0.990 465 P CB 0.119 31.913 31.700 0.155 0.000 1.168 466 K N 4.855 125.291 120.400 0.060 0.000 2.163 466 K HA -0.095 4.225 4.320 0.001 0.000 0.267 466 K C 1.183 177.816 176.600 0.055 0.000 1.098 466 K CA 0.532 56.845 56.287 0.045 0.000 1.062 466 K CB -0.419 32.096 32.500 0.025 0.000 1.033 466 K HN 0.591 nan 8.250 nan 0.000 0.396 467 E N 0.516 120.751 120.200 0.058 0.000 4.924 467 E HA -0.264 4.087 4.350 0.001 0.000 0.229 467 E C -0.969 175.676 176.600 0.075 0.000 0.912 467 E CA 1.974 58.408 56.400 0.056 0.000 1.857 467 E CB -1.123 28.603 29.700 0.043 0.000 1.787 467 E HN 0.516 nan 8.360 nan 0.000 0.427 468 T N -0.210 114.405 114.554 0.102 0.000 3.087 468 T HA 0.272 4.623 4.350 0.001 0.000 0.351 468 T C -1.359 173.476 174.700 0.224 0.000 1.520 468 T CA -0.195 61.995 62.100 0.150 0.000 1.111 468 T CB 0.948 69.903 68.868 0.145 0.000 1.353 468 T HN 0.475 nan 8.240 nan 0.000 0.481 469 W N 5.270 126.569 121.300 -0.002 0.000 2.347 469 W HA 0.218 4.878 4.660 0.001 0.000 0.333 469 W C 0.134 176.624 176.519 -0.048 0.000 1.383 469 W CA 0.901 58.207 57.345 -0.065 0.000 1.283 469 W CB -0.460 28.925 29.460 -0.125 0.000 1.253 469 W HN 1.001 nan 8.180 nan 0.000 0.563 470 H N 1.199 120.186 119.070 -0.138 0.000 4.413 470 H HA -0.180 4.376 4.556 0.001 0.000 0.110 470 H C -0.381 174.878 175.328 -0.115 0.000 0.628 470 H CA 1.033 56.967 56.048 -0.190 0.000 0.887 470 H CB -1.271 28.476 29.762 -0.025 0.000 0.397 470 H HN 0.529 nan 8.280 nan 0.000 0.769 471 D N 3.018 123.483 120.400 0.108 0.000 2.505 471 D HA 0.308 4.949 4.640 0.001 0.000 0.242 471 D C 0.231 176.549 176.300 0.030 0.000 1.136 471 D CA -0.167 53.858 54.000 0.043 0.000 0.954 471 D CB -0.136 40.690 40.800 0.044 0.000 1.002 471 D HN 0.328 nan 8.370 nan 0.000 0.512 472 L N 0.132 121.353 121.223 -0.003 0.000 2.331 472 L HA 0.665 5.006 4.340 0.001 0.000 0.275 472 L C -0.055 176.811 176.870 -0.006 0.000 1.022 472 L CA -0.895 53.946 54.840 0.001 0.000 0.812 472 L CB 2.106 44.154 42.059 -0.017 0.000 1.257 472 L HN -0.013 nan 8.230 nan 0.000 0.435 473 E N 1.799 121.999 120.200 0.000 0.000 2.227 473 E HA 0.144 4.494 4.350 0.001 0.000 0.282 473 E C -1.047 175.546 176.600 -0.012 0.000 1.015 473 E CA -0.458 55.937 56.400 -0.008 0.000 0.823 473 E CB 1.232 30.926 29.700 -0.011 0.000 1.081 473 E HN 0.737 nan 8.360 nan 0.000 0.396 474 E N 3.762 123.956 120.200 -0.011 0.000 2.146 474 E HA 0.272 4.622 4.350 0.001 0.000 0.282 474 E C -1.410 175.183 176.600 -0.011 0.000 0.989 474 E CA -0.712 55.684 56.400 -0.006 0.000 0.799 474 E CB 1.214 30.916 29.700 0.004 0.000 1.088 474 E HN 0.242 nan 8.360 nan 0.000 0.397 475 V N 6.113 126.013 119.914 -0.023 0.000 2.350 475 V HA 0.182 4.303 4.120 0.001 0.000 0.285 475 V C -0.396 175.679 176.094 -0.032 0.000 1.014 475 V CA -0.922 61.358 62.300 -0.033 0.000 0.831 475 V CB 1.060 32.846 31.823 -0.062 0.000 1.000 475 V HN 0.598 nan 8.190 nan 0.000 0.433 476 L N 6.299 127.513 121.223 -0.015 0.000 2.334 476 L HA 0.392 4.733 4.340 0.001 0.000 0.286 476 L C 0.727 177.584 176.870 -0.021 0.000 1.108 476 L CA 0.507 55.336 54.840 -0.018 0.000 0.875 476 L CB 0.065 42.132 42.059 0.013 0.000 1.246 476 L HN 0.574 nan 8.230 nan 0.000 0.439 477 L N 2.787 123.985 121.223 -0.042 0.000 2.007 477 L HA 0.076 4.417 4.340 0.001 0.000 0.205 477 L C 0.644 177.502 176.870 -0.020 0.000 1.073 477 L CA 1.014 55.858 54.840 0.006 0.000 0.744 477 L CB -0.126 41.940 42.059 0.011 0.000 0.898 477 L HN 0.592 nan 8.230 nan 0.000 0.435 478 E N -0.525 119.615 120.200 -0.101 0.000 2.312 478 E HA 0.374 4.724 4.350 0.001 0.000 0.267 478 E C -0.918 175.606 176.600 -0.127 0.000 0.894 478 E CA -0.475 55.845 56.400 -0.133 0.000 0.773 478 E CB 2.347 31.933 29.700 -0.189 0.000 1.241 478 E HN 0.032 nan 8.360 nan 0.000 0.432 479 E N 2.812 122.948 120.200 -0.107 0.000 2.761 479 E HA 0.231 4.582 4.350 0.001 0.000 0.266 479 E C -1.486 175.059 176.600 -0.092 0.000 1.097 479 E CA -0.212 56.134 56.400 -0.090 0.000 0.773 479 E CB 0.583 30.258 29.700 -0.041 0.000 1.453 479 E HN 0.409 nan 8.360 nan 0.000 0.388 480 M N 2.085 121.618 119.600 -0.112 0.000 2.205 480 M HA 0.378 4.858 4.480 0.001 0.000 0.344 480 M C -0.296 175.950 176.300 -0.090 0.000 1.085 480 M CA -0.637 54.601 55.300 -0.104 0.000 1.001 480 M CB 1.937 34.462 32.600 -0.126 0.000 1.626 480 M HN 0.154 nan 8.290 nan 0.000 0.442 481 T N 2.013 116.536 114.554 -0.052 0.000 2.889 481 T HA 0.365 4.715 4.350 0.001 0.000 0.291 481 T C 0.706 175.395 174.700 -0.018 0.000 0.995 481 T CA -0.554 61.536 62.100 -0.017 0.000 1.092 481 T CB 1.021 69.915 68.868 0.044 0.000 0.954 481 T HN 0.556 nan 8.240 nan 0.000 0.506 482 V N 2.239 122.088 119.914 -0.108 0.000 3.078 482 V HA 0.415 4.536 4.120 0.001 0.000 0.344 482 V C -0.694 175.110 176.094 -0.483 0.000 1.409 482 V CA -0.414 61.742 62.300 -0.241 0.000 1.146 482 V CB -0.826 30.709 31.823 -0.482 0.000 1.126 482 V HN 0.824 nan 8.190 nan 0.000 0.513 483 F N -0.362 119.589 119.950 0.002 0.000 2.588 483 F HA 0.472 4.999 4.527 0.001 0.000 0.318 483 F C 1.177 176.527 175.800 -0.751 0.000 1.155 483 F CA -0.891 56.862 58.000 -0.412 0.000 0.967 483 F CB 2.030 40.907 39.000 -0.205 0.000 1.236 483 F HN -0.228 nan 8.300 nan 0.000 0.455 484 R N 1.272 120.979 120.500 -1.322 0.000 2.134 484 R HA -0.165 4.175 4.340 0.001 0.000 0.248 484 R C -0.210 175.943 176.300 -0.244 0.000 1.143 484 R CA 1.815 57.417 56.100 -0.831 0.000 0.957 484 R CB 0.133 30.108 30.300 -0.542 0.000 0.867 484 R HN 0.692 nan 8.270 nan 0.000 0.441 485 E N 0.065 120.162 120.200 -0.172 0.000 2.221 485 E HA 0.300 4.651 4.350 0.001 0.000 0.268 485 E C -2.482 174.101 176.600 -0.028 0.000 0.933 485 E CA -2.374 53.982 56.400 -0.074 0.000 0.809 485 E CB 1.680 31.334 29.700 -0.076 0.000 1.190 485 E HN 0.165 nan 8.360 nan 0.000 0.406 486 P HA 0.018 nan 4.420 nan 0.000 0.276 486 P C -0.814 176.482 177.300 -0.006 0.000 1.243 486 P CA -0.050 63.065 63.100 0.025 0.000 0.768 486 P CB 0.761 32.481 31.700 0.033 0.000 0.856 487 T N -1.184 113.366 114.554 -0.007 0.000 2.868 487 T HA 0.337 4.688 4.350 0.001 0.000 0.306 487 T C -0.341 174.355 174.700 -0.006 0.000 1.224 487 T CA -0.689 61.377 62.100 -0.057 0.000 1.012 487 T CB 0.666 69.409 68.868 -0.207 0.000 1.221 487 T HN 0.143 nan 8.240 nan 0.000 0.499 488 T N 2.404 116.958 114.554 -0.001 0.000 2.799 488 T HA 0.323 4.674 4.350 0.001 0.000 0.296 488 T C 0.519 175.243 174.700 0.040 0.000 0.947 488 T CA -0.240 61.877 62.100 0.030 0.000 1.141 488 T CB -0.400 68.481 68.868 0.021 0.000 0.891 488 T HN 0.477 nan 8.240 nan 0.000 0.533 489 I N 3.107 123.727 120.570 0.082 0.000 2.517 489 I HA 0.043 4.214 4.170 0.001 0.000 0.285 489 I C 1.362 177.507 176.117 0.047 0.000 1.106 489 I CA 0.133 61.502 61.300 0.117 0.000 1.402 489 I CB 1.144 39.220 38.000 0.126 0.000 1.399 489 I HN 0.639 nan 8.210 nan 0.000 0.535 490 S N 4.914 120.638 115.700 0.040 0.000 2.505 490 S HA 0.425 4.896 4.470 0.001 0.000 0.216 490 S C 0.252 174.783 174.600 -0.116 0.000 1.018 490 S CA 0.194 58.372 58.200 -0.037 0.000 0.911 490 S CB 0.330 63.529 63.200 -0.002 0.000 0.818 490 S HN 0.759 nan 8.310 nan 0.000 0.497 491 A N 1.163 123.858 122.820 -0.208 0.000 2.547 491 A HA 0.767 5.088 4.320 0.001 0.000 0.297 491 A C -1.217 176.181 177.584 -0.311 0.000 1.056 491 A CA -0.602 51.159 52.037 -0.460 0.000 0.688 491 A CB 1.282 19.515 19.000 -1.278 0.000 1.282 491 A HN 0.392 nan 8.150 nan 0.000 0.400 492 M N 2.000 121.524 119.600 -0.126 0.000 2.324 492 M HA 0.434 4.915 4.480 0.001 0.000 0.288 492 M C -1.424 174.969 176.300 0.155 0.000 1.097 492 M CA -0.350 54.981 55.300 0.053 0.000 0.928 492 M CB 2.460 35.060 32.600 0.000 0.000 1.648 492 M HN 0.672 nan 8.290 nan 0.000 0.460 493 E N 3.136 123.508 120.200 0.287 0.000 2.246 493 E HA 0.437 4.788 4.350 0.001 0.000 0.266 493 E C -1.674 175.069 176.600 0.240 0.000 0.880 493 E CA -0.832 55.737 56.400 0.281 0.000 0.762 493 E CB 3.230 33.140 29.700 0.351 0.000 1.180 493 E HN 0.524 nan 8.360 nan 0.000 0.416 494 L N 2.057 123.337 121.223 0.095 0.000 2.289 494 L HA 0.411 4.752 4.340 0.001 0.000 0.285 494 L C -0.357 176.566 176.870 0.089 0.000 1.049 494 L CA -0.037 54.797 54.840 -0.011 0.000 0.804 494 L CB 1.616 43.558 42.059 -0.195 0.000 1.195 494 L HN 0.339 nan 8.230 nan 0.000 0.428 495 S N 2.254 118.020 115.700 0.111 0.000 2.566 495 S HA 0.486 4.957 4.470 0.001 0.000 0.324 495 S C -0.070 174.570 174.600 0.067 0.000 1.081 495 S CA -0.326 57.951 58.200 0.127 0.000 1.105 495 S CB 0.379 63.720 63.200 0.236 0.000 0.981 495 S HN 0.774 nan 8.310 nan 0.000 0.464 496 T N 2.639 117.230 114.554 0.061 0.000 3.540 496 T HA 0.431 4.782 4.350 0.001 0.000 0.269 496 T C 0.330 175.063 174.700 0.056 0.000 1.481 496 T CA -0.567 61.564 62.100 0.051 0.000 1.224 496 T CB -0.232 68.668 68.868 0.054 0.000 1.192 496 T HN 0.709 nan 8.240 nan 0.000 0.756 497 K N -0.221 120.215 120.400 0.059 0.000 2.343 497 K HA 0.074 4.395 4.320 0.001 0.000 0.168 497 K C 0.796 177.431 176.600 0.058 0.000 1.857 497 K CA -0.075 56.245 56.287 0.055 0.000 1.014 497 K CB 0.486 33.018 32.500 0.054 0.000 1.735 497 K HN 0.102 nan 8.250 nan 0.000 0.527 498 Q N -0.025 119.816 119.800 0.068 0.000 2.215 498 Q HA 0.154 4.494 4.340 0.001 0.000 0.257 498 Q C -0.398 175.627 176.000 0.042 0.000 0.792 498 Q CA 0.128 55.973 55.803 0.069 0.000 0.958 498 Q CB 1.435 30.245 28.738 0.121 0.000 1.158 498 Q HN 0.208 nan 8.270 nan 0.000 0.490 499 Q N 0.660 120.483 119.800 0.038 0.000 2.494 499 Q HA -0.153 4.188 4.340 0.001 0.000 0.272 499 Q C -0.551 175.400 176.000 -0.082 0.000 1.145 499 Q CA 0.959 56.767 55.803 0.009 0.000 0.943 499 Q CB -1.436 27.345 28.738 0.072 0.000 1.338 499 Q HN 0.365 nan 8.270 nan 0.000 0.492 500 Q N 0.138 119.876 119.800 -0.104 0.000 2.337 500 Q HA 0.628 4.969 4.340 0.001 0.000 0.266 500 Q C -0.306 175.400 176.000 -0.489 0.000 1.023 500 Q CA -0.880 54.728 55.803 -0.325 0.000 0.829 500 Q CB 2.067 30.570 28.738 -0.393 0.000 1.306 500 Q HN 0.237 nan 8.270 nan 0.000 0.449 501 L N 2.535 123.413 121.223 -0.575 0.000 2.322 501 L HA 0.447 4.788 4.340 0.001 0.000 0.279 501 L C -1.582 174.928 176.870 -0.600 0.000 1.036 501 L CA -0.332 54.249 54.840 -0.433 0.000 0.807 501 L CB 0.708 42.597 42.059 -0.283 0.000 1.226 501 L HN 0.413 nan 8.230 nan 0.000 0.433 502 Y N 5.428 125.719 120.300 -0.015 0.000 2.338 502 Y HA 0.571 5.121 4.550 0.001 0.000 0.328 502 Y C -0.422 175.607 175.900 0.215 0.000 0.965 502 Y CA -0.942 57.186 58.100 0.048 0.000 1.208 502 Y CB 0.963 39.425 38.460 0.003 0.000 1.132 502 Y HN 0.355 nan 8.280 nan 0.000 0.469 503 I N 2.424 123.140 120.570 0.244 0.000 2.566 503 I HA 0.750 4.921 4.170 0.001 0.000 0.303 503 I C 0.746 177.142 176.117 0.465 0.000 0.983 503 I CA -0.307 61.147 61.300 0.257 0.000 1.235 503 I CB 1.511 39.565 38.000 0.090 0.000 1.386 503 I HN 0.741 nan 8.210 nan 0.000 0.494 504 G N 1.672 110.672 108.800 0.334 0.000 2.612 504 G HA2 0.717 4.678 3.960 0.001 0.000 0.298 504 G HA3 0.717 4.678 3.960 0.001 0.000 0.298 504 G C -1.368 173.681 174.900 0.249 0.000 1.336 504 G CA -0.372 44.957 45.100 0.381 0.000 0.953 504 G HN 0.642 nan 8.290 nan 0.000 0.482 505 S N -1.413 114.419 115.700 0.219 0.000 2.655 505 S HA 0.542 5.013 4.470 0.001 0.000 0.266 505 S C 1.418 176.111 174.600 0.155 0.000 1.149 505 S CA 0.526 58.795 58.200 0.115 0.000 0.818 505 S CB 0.724 63.745 63.200 -0.299 0.000 1.130 505 S HN 1.198 nan 8.310 nan 0.000 0.476 506 T N 0.522 115.155 114.554 0.133 0.000 2.915 506 T HA 0.089 4.440 4.350 0.001 0.000 0.269 506 T C 1.792 176.607 174.700 0.191 0.000 1.071 506 T CA 1.230 63.400 62.100 0.117 0.000 1.132 506 T CB -0.666 68.256 68.868 0.091 0.000 0.878 506 T HN 0.842 nan 8.240 nan 0.000 0.479 507 A N 1.394 124.175 122.820 -0.065 0.000 2.121 507 A HA 0.543 4.863 4.320 0.001 0.000 0.218 507 A C 1.419 178.841 177.584 -0.269 0.000 1.154 507 A CA 0.780 52.702 52.037 -0.192 0.000 0.679 507 A CB -0.873 17.877 19.000 -0.418 0.000 0.795 507 A HN 1.227 nan 8.150 nan 0.000 0.458 508 G N -2.893 105.721 108.800 -0.311 0.000 2.347 508 G HA2 0.274 4.234 3.960 0.001 0.000 0.341 508 G HA3 0.274 4.234 3.960 0.001 0.000 0.341 508 G C -0.870 173.938 174.900 -0.153 0.000 1.287 508 G CA -0.438 44.273 45.100 -0.649 0.000 0.984 508 G HN 0.669 nan 8.290 nan 0.000 0.526 509 V N 0.128 120.017 119.914 -0.041 0.000 2.716 509 V HA 0.859 4.980 4.120 0.001 0.000 0.304 509 V C 0.846 177.010 176.094 0.117 0.000 1.053 509 V CA 0.216 62.557 62.300 0.068 0.000 0.984 509 V CB 1.317 32.900 31.823 -0.401 0.000 1.021 509 V HN 2.139 nan 8.190 nan 0.000 0.467 510 A N 2.908 125.786 122.820 0.097 0.000 2.449 510 A HA 0.755 5.076 4.320 0.001 0.000 0.302 510 A C -0.935 176.578 177.584 -0.118 0.000 1.048 510 A CA -0.594 51.404 52.037 -0.064 0.000 0.708 510 A CB 1.836 20.628 19.000 -0.346 0.000 1.274 510 A HN 0.769 nan 8.150 nan 0.000 0.410 511 Q N 0.948 120.646 119.800 -0.169 0.000 2.365 511 Q HA 0.756 5.097 4.340 0.001 0.000 0.269 511 Q C -1.716 174.115 176.000 -0.281 0.000 1.061 511 Q CA -0.781 54.850 55.803 -0.287 0.000 0.816 511 Q CB 1.722 30.320 28.738 -0.233 0.000 1.325 511 Q HN 1.029 nan 8.270 nan 0.000 0.446 512 L N 0.629 121.643 121.223 -0.350 0.000 2.540 512 L HA 0.770 5.111 4.340 0.001 0.000 0.256 512 L C -2.923 173.783 176.870 -0.274 0.000 1.001 512 L CA -2.080 52.603 54.840 -0.262 0.000 0.843 512 L CB 1.614 43.548 42.059 -0.209 0.000 1.436 512 L HN 0.432 nan 8.230 nan 0.000 0.410 513 P HA 0.269 nan 4.420 nan 0.000 0.278 513 P C 0.466 177.649 177.300 -0.196 0.000 1.238 513 P CA -0.402 62.541 63.100 -0.262 0.000 0.794 513 P CB 1.611 33.129 31.700 -0.305 0.000 0.955 514 L N 1.262 122.379 121.223 -0.177 0.000 1.994 514 L HA -0.099 4.242 4.340 0.001 0.000 0.208 514 L C 1.838 178.778 176.870 0.118 0.000 1.071 514 L CA 1.310 56.192 54.840 0.070 0.000 0.745 514 L CB -0.852 41.275 42.059 0.113 0.000 0.892 514 L HN 0.593 nan 8.230 nan 0.000 0.431 515 H N -1.445 117.673 119.070 0.079 0.000 2.669 515 H HA 0.555 5.112 4.556 0.001 0.000 0.318 515 H C -0.301 175.037 175.328 0.016 0.000 1.429 515 H CA -0.882 55.209 56.048 0.071 0.000 1.460 515 H CB 1.671 31.484 29.762 0.086 0.000 1.784 515 H HN -0.150 nan 8.280 nan 0.000 0.750 516 R N -0.544 120.062 120.500 0.175 0.000 2.512 516 R HA 0.174 4.514 4.340 0.001 0.000 0.191 516 R C 0.150 176.509 176.300 0.099 0.000 0.622 516 R CA -0.058 56.063 56.100 0.036 0.000 0.844 516 R CB -1.277 28.947 30.300 -0.126 0.000 1.228 516 R HN 0.668 nan 8.270 nan 0.000 0.587 517 C N 0.398 119.879 119.300 0.301 0.000 2.395 517 C HA -0.092 4.369 4.460 0.001 0.000 0.287 517 C C 0.650 175.816 174.990 0.294 0.000 1.281 517 C CA 1.190 60.450 59.018 0.402 0.000 1.818 517 C CB -0.408 27.454 27.740 0.203 0.000 1.990 517 C HN 0.484 nan 8.230 nan 0.000 0.516 518 D N 0.138 120.632 120.400 0.156 0.000 3.179 518 D HA 0.248 4.888 4.640 0.001 0.000 0.267 518 D C 0.767 177.096 176.300 0.049 0.000 1.348 518 D CA 0.267 54.324 54.000 0.095 0.000 0.897 518 D CB 0.325 41.163 40.800 0.063 0.000 1.062 518 D HN 0.411 nan 8.370 nan 0.000 0.494 519 I N -0.805 119.792 120.570 0.045 0.000 5.167 519 I HA -0.034 4.137 4.170 0.001 0.000 0.380 519 I C 0.549 176.642 176.117 -0.040 0.000 1.141 519 I CA -0.076 61.200 61.300 -0.041 0.000 1.534 519 I CB -0.323 37.600 38.000 -0.128 0.000 2.035 519 I HN -0.026 nan 8.210 nan 0.000 0.670 520 Y N 0.000 120.289 120.300 -0.018 0.000 2.660 520 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 520 Y CA 0.000 58.087 58.100 -0.022 0.000 1.940 520 Y CB 0.000 38.446 38.460 -0.023 0.000 1.050 520 Y HN 0.000 nan 8.280 nan 0.000 0.758