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 3kp1_1_D DATA FIRST_RESID 7 DATA SEQUENCE LRVNEKLDVE NILKDLDKYT PKRRGWTWRQ PAENLQMGPF IYKDASTPLE DATA SEQUENCE NSVALPSAKY FGDIDPQPLP VITTEIASGR FEDDIRRMRM AAWHGADHIM DATA SEQUENCE VIRTAGQSHY DGLIEGTPQG IGGVPITRKQ VRAQRKALDL IEEEVGRPIN DATA SEQUENCE YHSYVSGVAG PDIAVMFAEE GVNGAHQDPQ YNVLYRNINM IRSFIDACES DATA SEQUENCE KTIMAWADMA QIDXXXGAHN ANATAREAWK VMPELMVQHA LNSIFSLKVG DATA SEQUENCE MKKSNICLST VPPTAPPAPS MYLDLPYAVA LREMFEGYRM RAQMNTKYME DATA SEQUENCE ASTREATVTH VLNLLISKLT RADIQSTITP DEGRNVPWHI YNIEACDTAK DATA SEQUENCE QALIGMDGLM DMVQLKREGV LGDTVRELKE RAVLFMEEII EAGGYFNAVE DATA SEQUENCE QGFFVDSGYY PERNGDGIAR QINGGIGAGT VFERDEDYMA PVTAHFGYNN DATA SEQUENCE VKQYDEALVS EPSKLIDGCT LEVPEKIVYI DELDENDNVN VRMEETKEFR DATA SEQUENCE XXSMIKPEVE WQADGTVLLT MFLPTSKRVA EFAAIEFAKK MNLEEVEVIN DATA SEQUENCE REVMQEAEGT RIELKGRVPF SIDINSLVIP PXXXILSEDE IREDIEKTPL DATA SEQUENCE KIVAATVGED EHSVGLREVI DIKHGGIEKY GVEVHYLGTS VPVEKLVDAA DATA SEQUENCE IELKADAILA STIISHDDIH YKNMKRIHEL AVEKGIRDKI MIGCGGTQVT DATA SEQUENCE PEVAVKQGVD AGFGRGSKGI HVATFLVKKR REMR 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.907 176.870 0.062 0.000 1.165 7 L CA 0.000 54.873 54.840 0.054 0.000 0.813 7 L CB 0.000 42.109 42.059 0.084 0.000 0.961 8 R N 0.342 120.875 120.500 0.055 0.000 2.514 8 R HA 0.413 4.757 4.340 0.006 0.000 0.301 8 R C 0.978 177.318 176.300 0.068 0.000 0.962 8 R CA -0.539 55.596 56.100 0.057 0.000 0.882 8 R CB 2.207 32.526 30.300 0.032 0.000 1.143 8 R HN 0.547 nan 8.270 nan 0.000 0.452 9 V N 0.076 120.049 119.914 0.099 0.000 2.594 9 V HA -0.204 3.920 4.120 0.006 0.000 0.253 9 V C 1.245 177.320 176.094 -0.032 0.000 1.069 9 V CA 1.877 64.238 62.300 0.101 0.000 1.082 9 V CB -0.519 31.422 31.823 0.197 0.000 0.680 9 V HN 0.894 nan 8.190 nan 0.000 0.469 10 N N 0.123 118.813 118.700 -0.016 0.000 2.280 10 N HA 0.047 4.791 4.740 0.006 0.000 0.192 10 N C 0.272 175.758 175.510 -0.040 0.000 1.109 10 N CA 0.052 53.078 53.050 -0.041 0.000 0.855 10 N CB 0.078 38.553 38.487 -0.020 0.000 0.974 10 N HN 0.733 nan 8.380 nan 0.000 0.482 11 E N 0.956 121.140 120.200 -0.027 0.000 2.179 11 E HA 0.273 4.626 4.350 0.006 0.000 0.275 11 E C -0.640 175.939 176.600 -0.035 0.000 0.945 11 E CA -0.733 55.653 56.400 -0.024 0.000 0.792 11 E CB 2.001 31.697 29.700 -0.008 0.000 1.125 11 E HN 0.082 nan 8.360 nan 0.000 0.397 12 K N 1.761 122.138 120.400 -0.039 0.000 2.414 12 K HA 0.095 4.419 4.320 0.006 0.000 0.272 12 K C 0.092 176.676 176.600 -0.026 0.000 0.993 12 K CA -0.184 56.077 56.287 -0.043 0.000 0.964 12 K CB 0.497 32.973 32.500 -0.039 0.000 0.925 12 K HN 0.368 nan 8.250 nan 0.000 0.487 13 L N 2.688 123.895 121.223 -0.026 0.000 2.628 13 L HA -0.105 4.238 4.340 0.006 0.000 0.274 13 L C 0.579 177.438 176.870 -0.017 0.000 1.209 13 L CA 0.186 55.017 54.840 -0.014 0.000 0.930 13 L CB 0.003 42.053 42.059 -0.014 0.000 1.183 13 L HN 0.567 nan 8.230 nan 0.000 0.492 14 D N 3.885 124.278 120.400 -0.011 0.000 2.435 14 D HA 0.067 4.710 4.640 0.006 0.000 0.230 14 D C 0.979 177.270 176.300 -0.015 0.000 1.215 14 D CA -0.159 53.834 54.000 -0.012 0.000 0.947 14 D CB 1.151 41.947 40.800 -0.007 0.000 1.048 14 D HN 0.249 nan 8.370 nan 0.000 0.512 15 V N 3.704 123.604 119.914 -0.023 0.000 2.343 15 V HA -0.197 3.927 4.120 0.006 0.000 0.247 15 V C 2.373 178.455 176.094 -0.020 0.000 1.051 15 V CA 1.499 63.781 62.300 -0.030 0.000 1.036 15 V CB -0.416 31.370 31.823 -0.062 0.000 0.654 15 V HN 0.573 nan 8.190 nan 0.000 0.451 16 E N 0.214 120.403 120.200 -0.018 0.000 2.118 16 E HA -0.288 4.066 4.350 0.006 0.000 0.195 16 E C 2.071 178.672 176.600 0.002 0.000 0.992 16 E CA 1.599 57.995 56.400 -0.006 0.000 0.804 16 E CB -0.106 29.590 29.700 -0.006 0.000 0.741 16 E HN 0.656 nan 8.360 nan 0.000 0.458 17 N N 0.167 118.866 118.700 -0.002 0.000 2.188 17 N HA -0.100 4.644 4.740 0.006 0.000 0.184 17 N C 1.709 177.218 175.510 -0.002 0.000 1.018 17 N CA 0.834 53.884 53.050 0.000 0.000 0.858 17 N CB -0.024 38.463 38.487 -0.001 0.000 0.989 17 N HN 0.107 nan 8.380 nan 0.000 0.426 18 I N 0.281 120.847 120.570 -0.007 0.000 2.264 18 I HA -0.255 3.919 4.170 0.006 0.000 0.248 18 I C 1.562 177.674 176.117 -0.008 0.000 1.111 18 I CA 0.926 62.215 61.300 -0.019 0.000 1.382 18 I CB -0.128 37.860 38.000 -0.021 0.000 1.060 18 I HN 0.238 nan 8.210 nan 0.000 0.418 19 L N 0.052 121.290 121.223 0.024 0.000 2.465 19 L HA -0.058 4.285 4.340 0.006 0.000 0.224 19 L C 0.871 177.764 176.870 0.039 0.000 1.145 19 L CA 0.449 55.323 54.840 0.057 0.000 0.834 19 L CB -0.473 41.636 42.059 0.084 0.000 0.944 19 L HN 0.098 nan 8.230 nan 0.000 0.451 20 K N 0.842 121.254 120.400 0.019 0.000 2.350 20 K HA 0.038 4.362 4.320 0.006 0.000 0.279 20 K C -0.129 176.472 176.600 0.002 0.000 1.027 20 K CA -0.173 56.123 56.287 0.014 0.000 0.969 20 K CB 0.530 33.036 32.500 0.010 0.000 0.954 20 K HN -0.027 nan 8.250 nan 0.000 0.474 21 D N 1.776 122.174 120.400 -0.004 0.000 2.870 21 D HA -0.201 4.443 4.640 0.006 0.000 0.228 21 D C 0.643 176.904 176.300 -0.065 0.000 1.147 21 D CA 0.627 54.610 54.000 -0.028 0.000 0.757 21 D CB -1.219 39.575 40.800 -0.010 0.000 1.091 21 D HN 0.531 nan 8.370 nan 0.000 0.429 22 L N 0.438 121.605 121.223 -0.094 0.000 2.191 22 L HA -0.172 4.172 4.340 0.006 0.000 0.212 22 L C 2.391 178.981 176.870 -0.467 0.000 1.103 22 L CA 1.613 56.355 54.840 -0.163 0.000 0.769 22 L CB -0.273 41.748 42.059 -0.063 0.000 0.908 22 L HN 0.172 nan 8.230 nan 0.000 0.438 23 D N -0.051 119.960 120.400 -0.648 0.000 2.265 23 D HA -0.225 4.418 4.640 0.006 0.000 0.208 23 D C 1.481 177.589 176.300 -0.321 0.000 0.977 23 D CA 1.163 54.709 54.000 -0.757 0.000 0.871 23 D CB -0.201 40.381 40.800 -0.364 0.000 0.925 23 D HN 0.241 nan 8.370 nan 0.000 0.485 24 K N -0.573 119.724 120.400 -0.172 0.000 2.374 24 K HA 0.012 4.335 4.320 0.006 0.000 0.196 24 K C 0.159 176.742 176.600 -0.028 0.000 1.023 24 K CA -0.509 55.732 56.287 -0.078 0.000 1.103 24 K CB -0.243 32.231 32.500 -0.043 0.000 0.848 24 K HN 0.283 nan 8.250 nan 0.000 0.528 25 Y N 2.276 122.496 120.300 -0.133 0.000 2.526 25 Y HA 0.009 4.563 4.550 0.007 0.000 0.330 25 Y C -0.261 175.607 175.900 -0.054 0.000 1.156 25 Y CA 0.513 58.564 58.100 -0.082 0.000 1.419 25 Y CB 0.598 39.011 38.460 -0.077 0.000 1.250 25 Y HN -0.153 nan 8.280 nan 0.000 0.540 26 T N 8.702 122.764 114.554 -0.821 0.000 2.861 26 T HA 0.356 4.710 4.350 0.006 0.000 0.287 26 T C -2.815 171.254 174.700 -1.052 0.000 1.003 26 T CA -1.535 60.140 62.100 -0.708 0.000 0.977 26 T CB 1.634 70.315 68.868 -0.312 0.000 0.996 26 T HN 0.438 nan 8.240 nan 0.000 0.448 27 P HA 0.157 nan 4.420 nan 0.000 0.271 27 P C 0.474 177.659 177.300 -0.192 0.000 1.216 27 P CA -0.411 62.483 63.100 -0.343 0.000 0.776 27 P CB 1.094 32.762 31.700 -0.053 0.000 0.881 28 K N 3.561 123.911 120.400 -0.084 0.000 2.296 28 K HA -0.036 4.288 4.320 0.006 0.000 0.200 28 K C 0.580 177.157 176.600 -0.040 0.000 1.048 28 K CA 0.456 56.709 56.287 -0.055 0.000 0.966 28 K CB 0.130 32.622 32.500 -0.014 0.000 0.754 28 K HN 0.463 nan 8.250 nan 0.000 0.466 29 R N -0.479 120.006 120.500 -0.026 0.000 2.831 29 R HA 0.508 4.852 4.340 0.006 0.000 0.266 29 R C -1.007 175.283 176.300 -0.016 0.000 1.051 29 R CA -1.322 54.761 56.100 -0.028 0.000 0.943 29 R CB 0.837 31.116 30.300 -0.034 0.000 1.228 29 R HN -0.163 nan 8.270 nan 0.000 0.467 30 R N -0.091 120.393 120.500 -0.026 0.000 2.837 30 R HA 0.731 5.075 4.340 0.006 0.000 0.271 30 R C -0.243 176.042 176.300 -0.025 0.000 0.993 30 R CA -0.368 55.723 56.100 -0.015 0.000 0.931 30 R CB 1.684 31.958 30.300 -0.044 0.000 1.206 30 R HN 1.013 nan 8.270 nan 0.000 0.474 31 G N 0.649 109.451 108.800 0.004 0.000 2.699 31 G HA2 -0.199 3.765 3.960 0.006 0.000 0.686 31 G HA3 -0.199 3.765 3.960 0.006 0.000 0.686 31 G C -1.149 173.771 174.900 0.032 0.000 1.301 31 G CA -0.529 44.585 45.100 0.023 0.000 0.816 31 G HN 0.545 nan 8.290 nan 0.000 0.595 32 W N 2.172 123.377 121.300 -0.158 0.000 2.261 32 W HA 0.594 5.258 4.660 0.006 0.000 0.323 32 W C 0.566 176.890 176.519 -0.324 0.000 1.243 32 W CA 0.409 57.582 57.345 -0.287 0.000 1.210 32 W CB 1.471 30.692 29.460 -0.399 0.000 1.149 32 W HN 1.152 nan 8.180 nan 0.000 0.562 33 T N 2.536 116.511 114.554 -0.965 0.000 2.792 33 T HA 0.406 4.759 4.350 0.006 0.000 0.280 33 T C -0.796 173.397 174.700 -0.845 0.000 0.990 33 T CA -0.552 61.161 62.100 -0.644 0.000 0.960 33 T CB 0.873 69.511 68.868 -0.383 0.000 0.939 33 T HN 0.428 nan 8.240 nan 0.000 0.439 34 W N 1.711 122.947 121.300 -0.107 0.000 2.253 34 W HA 0.533 5.197 4.660 0.007 0.000 0.348 34 W C 1.127 177.615 176.519 -0.052 0.000 1.229 34 W CA -1.309 56.040 57.345 0.008 0.000 1.335 34 W CB 0.760 30.294 29.460 0.123 0.000 1.165 34 W HN 0.474 nan 8.180 nan 0.000 0.631 35 R N 1.439 122.088 120.500 0.249 0.000 2.539 35 R HA 0.118 4.462 4.340 0.006 0.000 0.275 35 R C -0.227 176.139 176.300 0.109 0.000 1.077 35 R CA -0.606 55.562 56.100 0.113 0.000 1.097 35 R CB 0.433 30.788 30.300 0.093 0.000 1.018 35 R HN 0.247 nan 8.270 nan 0.000 0.483 36 Q N 2.677 122.509 119.800 0.054 0.000 2.303 36 Q HA 0.289 4.633 4.340 0.006 0.000 0.257 36 Q C -2.266 173.750 176.000 0.027 0.000 0.941 36 Q CA -2.414 53.414 55.803 0.041 0.000 0.931 36 Q CB 1.243 29.994 28.738 0.023 0.000 1.215 36 Q HN 0.301 nan 8.270 nan 0.000 0.437 37 P HA 0.044 nan 4.420 nan 0.000 0.266 37 P C -1.007 176.302 177.300 0.015 0.000 1.195 37 P CA 0.142 63.254 63.100 0.020 0.000 0.768 37 P CB 0.616 32.326 31.700 0.016 0.000 0.838 38 A N 2.878 125.708 122.820 0.017 0.000 2.536 38 A HA 0.257 4.581 4.320 0.006 0.000 0.329 38 A C -0.023 177.581 177.584 0.032 0.000 1.321 38 A CA -0.529 51.519 52.037 0.017 0.000 0.804 38 A CB -0.118 18.887 19.000 0.008 0.000 1.126 38 A HN 0.471 nan 8.150 nan 0.000 0.480 39 E N 1.963 122.181 120.200 0.030 0.000 2.360 39 E HA 0.107 4.460 4.350 0.006 0.000 0.269 39 E C -0.172 176.456 176.600 0.047 0.000 1.022 39 E CA -0.346 56.076 56.400 0.037 0.000 0.887 39 E CB 0.317 30.031 29.700 0.024 0.000 0.990 39 E HN 0.625 nan 8.360 nan 0.000 0.426 40 N N 1.564 120.300 118.700 0.060 0.000 2.714 40 N HA -0.225 4.518 4.740 0.006 0.000 0.252 40 N C -0.867 174.692 175.510 0.082 0.000 1.014 40 N CA 0.510 53.599 53.050 0.064 0.000 0.735 40 N CB -1.039 37.471 38.487 0.039 0.000 0.924 40 N HN 0.282 nan 8.380 nan 0.000 0.540 41 L N 0.685 121.978 121.223 0.117 0.000 2.331 41 L HA 0.225 4.569 4.340 0.006 0.000 0.278 41 L C 0.728 177.714 176.870 0.194 0.000 1.106 41 L CA 0.004 54.916 54.840 0.119 0.000 0.824 41 L CB 0.932 43.046 42.059 0.091 0.000 1.142 41 L HN 0.223 nan 8.230 nan 0.000 0.443 42 Q N 5.077 124.963 119.800 0.142 0.000 2.256 42 Q HA 0.573 4.917 4.340 0.006 0.000 0.254 42 Q C -1.418 174.686 176.000 0.172 0.000 0.916 42 Q CA -0.231 55.672 55.803 0.167 0.000 0.932 42 Q CB 0.974 29.763 28.738 0.085 0.000 1.207 42 Q HN 0.769 nan 8.270 nan 0.000 0.426 43 M N 3.392 123.155 119.600 0.273 0.000 2.327 43 M HA 0.435 4.918 4.480 0.006 0.000 0.298 43 M C 0.411 176.834 176.300 0.205 0.000 1.065 43 M CA -0.326 55.090 55.300 0.192 0.000 0.916 43 M CB 1.975 34.646 32.600 0.118 0.000 1.630 43 M HN 0.993 nan 8.290 nan 0.000 0.442 44 G N 3.786 112.647 108.800 0.102 0.000 2.634 44 G HA2 -0.253 3.711 3.960 0.006 0.000 0.309 44 G HA3 -0.253 3.711 3.960 0.006 0.000 0.309 44 G C -2.099 172.747 174.900 -0.091 0.000 1.265 44 G CA 0.016 45.139 45.100 0.038 0.000 0.998 44 G HN 0.551 nan 8.290 nan 0.000 0.551 45 P HA 0.295 nan 4.420 nan 0.000 0.241 45 P C 0.078 177.020 177.300 -0.596 0.000 1.191 45 P CA 0.681 63.431 63.100 -0.583 0.000 0.771 45 P CB 0.063 31.192 31.700 -0.952 0.000 0.929 46 F N -0.770 119.189 119.950 0.015 0.000 2.538 46 F HA 0.428 4.959 4.527 0.006 0.000 0.325 46 F C 0.640 176.357 175.800 -0.139 0.000 1.066 46 F CA -1.580 56.331 58.000 -0.148 0.000 0.946 46 F CB 0.832 39.600 39.000 -0.386 0.000 1.199 46 F HN -0.388 nan 8.300 nan 0.000 0.473 47 I N 2.400 122.962 120.570 -0.014 0.000 2.365 47 I HA 0.236 4.409 4.170 0.006 0.000 0.291 47 I C -0.999 174.985 176.117 -0.221 0.000 1.004 47 I CA -0.532 60.758 61.300 -0.017 0.000 1.311 47 I CB 0.772 38.773 38.000 0.002 0.000 1.401 47 I HN 0.460 nan 8.210 nan 0.000 0.491 48 Y N 5.895 126.225 120.300 0.049 0.000 2.342 48 Y HA 0.316 4.870 4.550 0.007 0.000 0.334 48 Y C 1.002 176.909 175.900 0.012 0.000 1.067 48 Y CA -0.686 57.426 58.100 0.021 0.000 1.128 48 Y CB 1.267 39.737 38.460 0.018 0.000 1.200 48 Y HN 0.409 nan 8.280 nan 0.000 0.464 49 K N 0.552 121.017 120.400 0.110 0.000 2.308 49 K HA 0.084 4.407 4.320 0.006 0.000 0.197 49 K C -0.435 176.208 176.600 0.072 0.000 1.049 49 K CA 0.643 56.969 56.287 0.066 0.000 0.991 49 K CB 0.363 32.878 32.500 0.025 0.000 0.836 49 K HN 0.657 nan 8.250 nan 0.000 0.500 50 D N 0.796 121.254 120.400 0.096 0.000 2.891 50 D HA 0.222 4.866 4.640 0.006 0.000 0.312 50 D C -0.480 175.861 176.300 0.069 0.000 1.354 50 D CA -0.075 53.966 54.000 0.069 0.000 0.838 50 D CB 0.599 41.432 40.800 0.054 0.000 1.117 50 D HN 0.016 nan 8.370 nan 0.000 0.473 51 A N 0.492 123.357 122.820 0.074 0.000 2.294 51 A HA 0.722 5.046 4.320 0.006 0.000 0.330 51 A C 0.656 178.246 177.584 0.010 0.000 1.133 51 A CA -0.417 51.632 52.037 0.019 0.000 0.836 51 A CB 1.081 20.066 19.000 -0.025 0.000 1.190 51 A HN 0.148 nan 8.150 nan 0.000 0.492 52 S N -0.168 115.526 115.700 -0.010 0.000 2.786 52 S HA 0.647 5.121 4.470 0.006 0.000 0.307 52 S C 0.039 174.624 174.600 -0.025 0.000 1.121 52 S CA -0.412 57.786 58.200 -0.004 0.000 0.975 52 S CB 0.469 63.675 63.200 0.010 0.000 1.220 52 S HN 0.735 nan 8.310 nan 0.000 0.550 53 T N 3.582 118.123 114.554 -0.021 0.000 2.908 53 T HA 0.282 4.636 4.350 0.006 0.000 0.301 53 T C -2.362 172.306 174.700 -0.054 0.000 1.019 53 T CA -0.219 61.860 62.100 -0.034 0.000 1.152 53 T CB -0.397 68.452 68.868 -0.031 0.000 0.966 53 T HN 0.466 nan 8.240 nan 0.000 0.540 54 P HA 0.205 nan 4.420 nan 0.000 0.272 54 P C -0.041 177.205 177.300 -0.090 0.000 1.223 54 P CA -0.478 62.573 63.100 -0.081 0.000 0.784 54 P CB 0.453 32.107 31.700 -0.076 0.000 0.923 55 L N 1.807 122.964 121.223 -0.111 0.000 2.436 55 L HA 0.110 4.454 4.340 0.006 0.000 0.265 55 L C 1.743 178.518 176.870 -0.157 0.000 1.168 55 L CA 0.079 54.829 54.840 -0.150 0.000 0.815 55 L CB 0.115 42.058 42.059 -0.195 0.000 1.109 55 L HN 0.486 nan 8.230 nan 0.000 0.462 56 E N 0.632 120.723 120.200 -0.181 0.000 2.112 56 E HA 0.003 4.357 4.350 0.006 0.000 0.190 56 E C -0.125 176.341 176.600 -0.223 0.000 0.979 56 E CA 0.738 57.039 56.400 -0.165 0.000 0.814 56 E CB 0.242 29.856 29.700 -0.143 0.000 0.762 56 E HN 0.493 nan 8.360 nan 0.000 0.460 57 N N 0.300 118.764 118.700 -0.394 0.000 2.352 57 N HA 0.225 4.969 4.740 0.006 0.000 0.291 57 N C -1.158 173.824 175.510 -0.879 0.000 1.040 57 N CA -0.095 52.570 53.050 -0.643 0.000 0.864 57 N CB 2.136 40.065 38.487 -0.930 0.000 1.440 57 N HN 0.018 nan 8.380 nan 0.000 0.483 58 S N -0.511 114.892 115.700 -0.494 0.000 2.661 58 S HA 0.521 4.995 4.470 0.006 0.000 0.268 58 S C -1.461 173.235 174.600 0.160 0.000 1.162 58 S CA -0.701 57.380 58.200 -0.199 0.000 0.817 58 S CB 1.250 64.346 63.200 -0.172 0.000 1.141 58 S HN 0.058 nan 8.310 nan 0.000 0.477 59 V N 1.653 121.604 119.914 0.062 0.000 2.357 59 V HA 0.770 4.894 4.120 0.006 0.000 0.284 59 V C 0.798 176.811 176.094 -0.135 0.000 1.018 59 V CA -0.106 62.146 62.300 -0.079 0.000 0.841 59 V CB 0.600 32.208 31.823 -0.358 0.000 0.991 59 V HN 1.229 nan 8.190 nan 0.000 0.437 60 A N 5.407 128.209 122.820 -0.030 0.000 2.296 60 A HA 0.701 5.025 4.320 0.006 0.000 0.264 60 A C 0.087 177.697 177.584 0.044 0.000 1.097 60 A CA -0.486 51.556 52.037 0.010 0.000 0.811 60 A CB 0.239 19.264 19.000 0.041 0.000 1.072 60 A HN 0.805 nan 8.150 nan 0.000 0.495 61 L N 0.559 121.833 121.223 0.085 0.000 2.483 61 L HA 0.080 4.424 4.340 0.006 0.000 0.275 61 L C -1.261 175.678 176.870 0.116 0.000 1.220 61 L CA -1.083 53.830 54.840 0.120 0.000 0.833 61 L CB 0.168 42.309 42.059 0.138 0.000 1.102 61 L HN 0.559 nan 8.230 nan 0.000 0.490 62 P HA -0.134 nan 4.420 nan 0.000 0.216 62 P C 1.225 178.578 177.300 0.088 0.000 1.153 62 P CA 1.148 64.300 63.100 0.088 0.000 0.858 62 P CB 0.209 31.967 31.700 0.097 0.000 0.789 63 S N -0.879 114.928 115.700 0.179 0.000 2.603 63 S HA 0.068 4.541 4.470 0.006 0.000 0.229 63 S C 1.851 176.646 174.600 0.325 0.000 0.972 63 S CA 0.664 59.044 58.200 0.300 0.000 0.935 63 S CB -0.788 62.657 63.200 0.408 0.000 0.769 63 S HN 0.143 nan 8.310 nan 0.000 0.536 64 A N 2.744 125.710 122.820 0.244 0.000 2.070 64 A HA -0.182 4.141 4.320 0.006 0.000 0.220 64 A C 2.035 179.710 177.584 0.151 0.000 1.159 64 A CA 1.569 53.779 52.037 0.289 0.000 0.656 64 A CB -0.546 18.566 19.000 0.187 0.000 0.800 64 A HN 0.690 nan 8.150 nan 0.000 0.453 65 K N -1.445 118.921 120.400 -0.056 0.000 2.281 65 K HA -0.192 4.132 4.320 0.006 0.000 0.203 65 K C 1.169 177.594 176.600 -0.291 0.000 1.046 65 K CA 1.739 57.901 56.287 -0.208 0.000 0.938 65 K CB -0.531 31.763 32.500 -0.344 0.000 0.737 65 K HN 0.492 nan 8.250 nan 0.000 0.458 66 Y N -0.240 119.960 120.300 -0.167 0.000 2.544 66 Y HA 0.109 4.662 4.550 0.006 0.000 0.286 66 Y C 0.409 175.959 175.900 -0.583 0.000 1.141 66 Y CA 0.132 57.964 58.100 -0.447 0.000 1.299 66 Y CB 0.198 38.226 38.460 -0.719 0.000 1.030 66 Y HN -0.016 nan 8.280 nan 0.000 0.543 67 F N -0.976 119.104 119.950 0.217 0.000 2.841 67 F HA 0.512 5.043 4.527 0.006 0.000 0.358 67 F C 1.206 177.073 175.800 0.111 0.000 1.261 67 F CA -0.601 57.514 58.000 0.192 0.000 1.233 67 F CB 0.752 39.942 39.000 0.317 0.000 1.008 67 F HN -0.027 nan 8.300 nan 0.000 0.507 68 G N 0.185 109.081 108.800 0.160 0.000 2.147 68 G HA2 -0.299 3.665 3.960 0.006 0.000 0.244 68 G HA3 -0.299 3.665 3.960 0.006 0.000 0.244 68 G C 0.273 175.232 174.900 0.099 0.000 1.005 68 G CA 0.170 45.331 45.100 0.102 0.000 0.713 68 G HN 0.464 nan 8.290 nan 0.000 0.515 69 D N -0.866 119.602 120.400 0.113 0.000 2.837 69 D HA -0.213 4.430 4.640 0.006 0.000 0.230 69 D C 1.202 177.558 176.300 0.092 0.000 1.152 69 D CA 1.493 55.548 54.000 0.091 0.000 0.736 69 D CB -1.425 39.402 40.800 0.044 0.000 1.084 69 D HN 1.235 nan 8.370 nan 0.000 0.429 70 I N -2.220 118.429 120.570 0.132 0.000 2.836 70 I HA 0.234 4.408 4.170 0.006 0.000 0.285 70 I C 0.590 176.741 176.117 0.056 0.000 1.174 70 I CA 0.253 61.608 61.300 0.091 0.000 1.405 70 I CB 0.611 38.690 38.000 0.132 0.000 1.385 70 I HN -0.266 nan 8.210 nan 0.000 0.594 71 D N 5.555 125.949 120.400 -0.010 0.000 2.656 71 D HA 0.407 5.051 4.640 0.006 0.000 0.303 71 D C -2.573 173.667 176.300 -0.100 0.000 1.199 71 D CA -1.739 52.240 54.000 -0.035 0.000 0.797 71 D CB 0.610 41.391 40.800 -0.033 0.000 1.170 71 D HN 0.336 nan 8.370 nan 0.000 0.509 72 P HA 0.099 nan 4.420 nan 0.000 0.266 72 P C -0.481 176.713 177.300 -0.176 0.000 1.195 72 P CA -0.060 62.852 63.100 -0.313 0.000 0.768 72 P CB 0.664 31.978 31.700 -0.644 0.000 0.838 73 Q N 3.484 123.197 119.800 -0.146 0.000 2.293 73 Q HA 0.407 4.751 4.340 0.006 0.000 0.261 73 Q C -2.173 173.798 176.000 -0.048 0.000 0.960 73 Q CA -1.887 53.873 55.803 -0.072 0.000 0.882 73 Q CB 1.827 30.530 28.738 -0.058 0.000 1.275 73 Q HN 0.385 nan 8.270 nan 0.000 0.445 74 P HA 0.198 nan 4.420 nan 0.000 0.279 74 P C 0.581 177.899 177.300 0.030 0.000 1.282 74 P CA -0.412 62.697 63.100 0.014 0.000 0.788 74 P CB 1.203 32.922 31.700 0.030 0.000 1.139 75 L N -1.243 120.005 121.223 0.042 0.000 2.072 75 L HA 0.064 4.408 4.340 0.006 0.000 0.205 75 L C -1.131 175.792 176.870 0.088 0.000 1.079 75 L CA 0.684 55.556 54.840 0.054 0.000 0.752 75 L CB -2.032 40.052 42.059 0.042 0.000 0.906 75 L HN 0.286 nan 8.230 nan 0.000 0.436 76 P HA 0.046 nan 4.420 nan 0.000 0.271 76 P C -0.375 177.024 177.300 0.166 0.000 1.216 76 P CA -0.003 63.185 63.100 0.145 0.000 0.776 76 P CB 0.778 32.547 31.700 0.116 0.000 0.881 77 V N 4.545 124.608 119.914 0.248 0.000 2.694 77 V HA -0.051 4.073 4.120 0.006 0.000 0.306 77 V C 0.694 176.894 176.094 0.177 0.000 1.054 77 V CA 0.709 63.121 62.300 0.187 0.000 1.161 77 V CB -0.365 31.587 31.823 0.215 0.000 0.916 77 V HN 0.351 nan 8.190 nan 0.000 0.490 78 I N 4.480 125.129 120.570 0.132 0.000 2.339 78 I HA 0.332 4.505 4.170 0.006 0.000 0.290 78 I C 0.416 176.611 176.117 0.130 0.000 0.994 78 I CA -0.039 61.332 61.300 0.119 0.000 1.191 78 I CB 1.407 39.455 38.000 0.081 0.000 1.343 78 I HN 0.586 nan 8.210 nan 0.000 0.458 79 T N 3.979 118.598 114.554 0.107 0.000 2.875 79 T HA 0.434 4.788 4.350 0.006 0.000 0.284 79 T C 0.291 174.965 174.700 -0.043 0.000 0.995 79 T CA -0.420 61.672 62.100 -0.013 0.000 1.060 79 T CB 2.026 70.797 68.868 -0.162 0.000 0.967 79 T HN 0.636 nan 8.240 nan 0.000 0.476 80 T N 1.635 116.151 114.554 -0.063 0.000 2.893 80 T HA 0.378 4.731 4.350 0.006 0.000 0.291 80 T C -1.180 173.482 174.700 -0.064 0.000 1.028 80 T CA -0.804 61.274 62.100 -0.036 0.000 0.995 80 T CB 1.114 69.995 68.868 0.022 0.000 1.051 80 T HN 0.605 nan 8.240 nan 0.000 0.470 81 E N 3.425 123.602 120.200 -0.039 0.000 2.109 81 E HA 0.461 4.815 4.350 0.006 0.000 0.278 81 E C -0.692 175.926 176.600 0.031 0.000 0.954 81 E CA -0.365 56.020 56.400 -0.025 0.000 0.779 81 E CB 1.253 30.933 29.700 -0.033 0.000 1.093 81 E HN 0.486 nan 8.360 nan 0.000 0.401 82 I N 2.537 123.142 120.570 0.058 0.000 2.476 82 I HA 0.469 4.642 4.170 0.006 0.000 0.281 82 I C -0.719 175.474 176.117 0.127 0.000 1.040 82 I CA -0.578 60.786 61.300 0.105 0.000 1.094 82 I CB 1.611 39.689 38.000 0.131 0.000 1.219 82 I HN 0.505 nan 8.210 nan 0.000 0.450 83 A N 3.512 126.408 122.820 0.127 0.000 2.771 83 A HA 0.377 4.701 4.320 0.006 0.000 0.301 83 A C 0.334 178.012 177.584 0.158 0.000 1.194 83 A CA -0.324 51.798 52.037 0.143 0.000 0.837 83 A CB 0.585 19.643 19.000 0.097 0.000 1.438 83 A HN 0.679 nan 8.150 nan 0.000 0.436 84 S N 0.323 116.161 115.700 0.230 0.000 2.548 84 S HA 0.433 4.906 4.470 0.006 0.000 0.215 84 S C 1.490 176.344 174.600 0.424 0.000 0.976 84 S CA 1.011 59.385 58.200 0.291 0.000 0.908 84 S CB 0.248 63.690 63.200 0.403 0.000 0.781 84 S HN 2.485 nan 8.310 nan 0.000 0.519 85 G N 1.436 110.432 108.800 0.326 0.000 2.258 85 G HA2 -0.227 3.737 3.960 0.006 0.000 0.233 85 G HA3 -0.227 3.737 3.960 0.006 0.000 0.233 85 G C 0.160 175.171 174.900 0.185 0.000 1.006 85 G CA -0.225 45.049 45.100 0.290 0.000 0.620 85 G HN 0.558 nan 8.290 nan 0.000 0.511 86 R N 0.547 121.150 120.500 0.173 0.000 2.352 86 R HA 0.465 4.809 4.340 0.006 0.000 0.304 86 R C 1.315 177.624 176.300 0.016 0.000 1.104 86 R CA -0.336 55.720 56.100 -0.074 0.000 0.991 86 R CB 0.058 30.026 30.300 -0.553 0.000 1.140 86 R HN 0.384 nan 8.270 nan 0.000 0.540 87 F N 2.065 122.041 119.950 0.044 0.000 2.250 87 F HA -0.173 4.358 4.527 0.008 0.000 0.301 87 F C 1.907 177.737 175.800 0.051 0.000 1.077 87 F CA 1.122 59.166 58.000 0.074 0.000 1.348 87 F CB 0.052 39.097 39.000 0.074 0.000 1.040 87 F HN 0.376 nan 8.300 nan 0.000 0.509 88 E N 0.632 120.197 120.200 -1.058 0.000 2.216 88 E HA -0.177 4.177 4.350 0.006 0.000 0.192 88 E C 1.001 177.419 176.600 -0.304 0.000 0.988 88 E CA 1.325 57.224 56.400 -0.836 0.000 0.834 88 E CB -0.729 28.419 29.700 -0.920 0.000 0.772 88 E HN 0.506 nan 8.360 nan 0.000 0.479 89 D N 1.526 121.818 120.400 -0.181 0.000 2.137 89 D HA -0.088 4.556 4.640 0.006 0.000 0.202 89 D C 1.259 177.616 176.300 0.096 0.000 0.970 89 D CA 0.924 54.932 54.000 0.013 0.000 0.837 89 D CB -0.069 40.830 40.800 0.165 0.000 0.981 89 D HN 0.150 nan 8.370 nan 0.000 0.475 90 D N 0.999 121.477 120.400 0.129 0.000 2.182 90 D HA -0.096 4.548 4.640 0.006 0.000 0.201 90 D C 2.188 178.568 176.300 0.132 0.000 0.986 90 D CA 0.273 54.380 54.000 0.179 0.000 0.847 90 D CB -0.272 40.658 40.800 0.217 0.000 0.942 90 D HN 0.283 nan 8.370 nan 0.000 0.467 91 I N 0.613 121.240 120.570 0.096 0.000 2.335 91 I HA -0.274 3.900 4.170 0.006 0.000 0.251 91 I C 2.382 178.520 176.117 0.035 0.000 1.129 91 I CA 1.055 62.399 61.300 0.074 0.000 1.402 91 I CB -0.048 37.984 38.000 0.053 0.000 1.069 91 I HN -0.028 nan 8.210 nan 0.000 0.424 92 R N 0.039 120.539 120.500 0.001 0.000 2.075 92 R HA -0.141 4.203 4.340 0.006 0.000 0.232 92 R C 2.438 178.692 176.300 -0.076 0.000 1.126 92 R CA 1.055 57.124 56.100 -0.052 0.000 0.963 92 R CB -0.373 29.869 30.300 -0.096 0.000 0.858 92 R HN 0.288 nan 8.270 nan 0.000 0.435 93 R N 0.787 121.252 120.500 -0.058 0.000 2.120 93 R HA -0.084 4.260 4.340 0.006 0.000 0.234 93 R C 2.185 178.518 176.300 0.054 0.000 1.123 93 R CA 1.381 57.467 56.100 -0.024 0.000 0.975 93 R CB -0.061 30.334 30.300 0.159 0.000 0.866 93 R HN 0.198 nan 8.270 nan 0.000 0.446 94 M N -0.474 119.175 119.600 0.083 0.000 2.117 94 M HA -0.193 4.291 4.480 0.006 0.000 0.262 94 M C 2.447 178.817 176.300 0.116 0.000 1.065 94 M CA 1.649 57.013 55.300 0.106 0.000 1.114 94 M CB -0.290 32.379 32.600 0.115 0.000 1.361 94 M HN 0.118 nan 8.290 nan 0.000 0.408 95 R N 0.646 121.205 120.500 0.098 0.000 2.081 95 R HA -0.129 4.214 4.340 0.006 0.000 0.235 95 R C 2.029 178.451 176.300 0.202 0.000 1.131 95 R CA 1.602 57.795 56.100 0.155 0.000 0.960 95 R CB -0.127 30.227 30.300 0.091 0.000 0.856 95 R HN 0.343 nan 8.270 nan 0.000 0.436 96 M N -0.032 119.620 119.600 0.086 0.000 2.080 96 M HA -0.152 4.332 4.480 0.006 0.000 0.260 96 M C 2.498 178.946 176.300 0.247 0.000 1.068 96 M CA 2.016 57.381 55.300 0.109 0.000 1.109 96 M CB -0.316 32.281 32.600 -0.004 0.000 1.342 96 M HN 0.291 nan 8.290 nan 0.000 0.405 97 A N 0.359 123.283 122.820 0.174 0.000 1.902 97 A HA -0.046 4.278 4.320 0.006 0.000 0.217 97 A C 2.398 180.114 177.584 0.220 0.000 1.181 97 A CA 1.904 54.047 52.037 0.176 0.000 0.623 97 A CB -0.994 18.078 19.000 0.120 0.000 0.818 97 A HN 0.506 nan 8.150 nan 0.000 0.443 98 A N -1.401 121.547 122.820 0.214 0.000 1.908 98 A HA -0.170 4.154 4.320 0.006 0.000 0.218 98 A C 1.919 179.600 177.584 0.161 0.000 1.181 98 A CA 1.512 53.645 52.037 0.160 0.000 0.627 98 A CB -0.901 18.181 19.000 0.137 0.000 0.818 98 A HN 0.723 nan 8.150 nan 0.000 0.445 99 W N -0.509 120.823 121.300 0.053 0.000 2.374 99 W HA -0.075 4.589 4.660 0.008 0.000 0.288 99 W C 2.032 178.514 176.519 -0.062 0.000 1.218 99 W CA 1.415 58.757 57.345 -0.005 0.000 1.245 99 W CB -0.359 29.095 29.460 -0.010 0.000 1.126 99 W HN 0.490 nan 8.180 nan 0.000 0.545 100 H N -1.178 118.020 119.070 0.214 0.000 2.533 100 H HA 0.231 4.791 4.556 0.006 0.000 0.271 100 H C 1.701 177.077 175.328 0.080 0.000 1.000 100 H CA 0.984 57.111 56.048 0.132 0.000 1.149 100 H CB 0.100 29.930 29.762 0.114 0.000 1.375 100 H HN 0.268 nan 8.280 nan 0.000 0.582 101 G N 0.460 109.339 108.800 0.131 0.000 2.184 101 G HA2 -0.214 3.750 3.960 0.006 0.000 0.206 101 G HA3 -0.214 3.750 3.960 0.006 0.000 0.206 101 G C 0.418 175.356 174.900 0.064 0.000 0.995 101 G CA -0.074 45.064 45.100 0.064 0.000 0.651 101 G HN 0.556 nan 8.290 nan 0.000 0.511 102 A N 1.239 124.112 122.820 0.090 0.000 2.454 102 A HA 0.542 4.866 4.320 0.006 0.000 0.260 102 A C 0.919 178.533 177.584 0.049 0.000 1.106 102 A CA 0.787 52.869 52.037 0.075 0.000 0.780 102 A CB 0.254 19.305 19.000 0.085 0.000 1.044 102 A HN 0.719 nan 8.150 nan 0.000 0.498 103 D N 1.242 121.663 120.400 0.035 0.000 2.538 103 D HA 0.073 4.717 4.640 0.006 0.000 0.231 103 D C -0.028 176.269 176.300 -0.004 0.000 1.229 103 D CA 0.151 54.142 54.000 -0.016 0.000 0.828 103 D CB -0.422 40.331 40.800 -0.077 0.000 1.035 103 D HN 0.701 nan 8.370 nan 0.000 0.495 104 H N 0.369 119.404 119.070 -0.059 0.000 3.108 104 H HA 0.316 4.876 4.556 0.007 0.000 0.329 104 H C -1.315 174.022 175.328 0.015 0.000 0.978 104 H CA -0.732 55.288 56.048 -0.047 0.000 1.413 104 H CB 1.127 30.893 29.762 0.007 0.000 1.670 104 H HN -0.145 nan 8.280 nan 0.000 0.512 105 I N 6.100 126.734 120.570 0.106 0.000 2.355 105 I HA 0.218 4.392 4.170 0.006 0.000 0.288 105 I C -0.119 175.960 176.117 -0.065 0.000 0.999 105 I CA -0.453 60.867 61.300 0.033 0.000 1.163 105 I CB 1.316 39.417 38.000 0.168 0.000 1.316 105 I HN 0.653 nan 8.210 nan 0.000 0.454 106 M N 7.152 126.653 119.600 -0.164 0.000 2.167 106 M HA 0.481 4.965 4.480 0.006 0.000 0.333 106 M C -1.398 174.882 176.300 -0.035 0.000 1.030 106 M CA -0.559 54.635 55.300 -0.176 0.000 0.963 106 M CB 1.493 33.890 32.600 -0.338 0.000 1.589 106 M HN 0.272 nan 8.290 nan 0.000 0.431 107 V N 7.101 127.013 119.914 -0.004 0.000 2.293 107 V HA 0.356 4.480 4.120 0.006 0.000 0.275 107 V C 0.180 176.369 176.094 0.159 0.000 1.021 107 V CA -0.641 61.699 62.300 0.066 0.000 0.815 107 V CB 0.755 32.601 31.823 0.039 0.000 1.025 107 V HN 0.805 nan 8.190 nan 0.000 0.448 108 I N 4.837 125.465 120.570 0.097 0.000 2.692 108 I HA 0.193 4.366 4.170 0.006 0.000 0.284 108 I C 0.997 177.060 176.117 -0.090 0.000 1.159 108 I CA 0.069 61.314 61.300 -0.093 0.000 1.423 108 I CB 0.391 38.306 38.000 -0.143 0.000 1.380 108 I HN 0.531 nan 8.210 nan 0.000 0.580 109 R N 2.864 123.234 120.500 -0.217 0.000 2.528 109 R HA 0.258 4.602 4.340 0.006 0.000 0.271 109 R C 0.132 176.376 176.300 -0.093 0.000 1.056 109 R CA -0.670 55.367 56.100 -0.106 0.000 1.117 109 R CB 0.598 30.819 30.300 -0.131 0.000 1.085 109 R HN 0.545 nan 8.270 nan 0.000 0.530 110 T N 0.943 115.480 114.554 -0.028 0.000 2.946 110 T HA 0.057 4.410 4.350 0.006 0.000 0.312 110 T C 0.251 174.913 174.700 -0.063 0.000 1.066 110 T CA -0.242 61.858 62.100 -0.000 0.000 1.138 110 T CB 0.256 69.167 68.868 0.072 0.000 1.014 110 T HN 0.602 nan 8.240 nan 0.000 0.544 111 A N 3.248 126.054 122.820 -0.024 0.000 2.566 111 A HA 0.466 4.789 4.320 0.006 0.000 0.245 111 A C 1.655 179.214 177.584 -0.042 0.000 1.056 111 A CA 0.407 52.425 52.037 -0.032 0.000 0.757 111 A CB -1.011 17.995 19.000 0.010 0.000 0.979 111 A HN 2.056 nan 8.150 nan 0.000 0.508 112 G N 1.534 110.293 108.800 -0.069 0.000 2.143 112 G HA2 -0.337 3.626 3.960 0.006 0.000 0.249 112 G HA3 -0.337 3.626 3.960 0.006 0.000 0.249 112 G C 0.863 175.594 174.900 -0.282 0.000 0.981 112 G CA 0.905 45.984 45.100 -0.036 0.000 0.665 112 G HN 1.076 nan 8.290 nan 0.000 0.528 113 Q N 0.460 119.959 119.800 -0.501 0.000 2.234 113 Q HA -0.044 4.299 4.340 0.006 0.000 0.206 113 Q C 2.557 178.232 176.000 -0.542 0.000 0.980 113 Q CA 2.026 57.263 55.803 -0.944 0.000 0.869 113 Q CB -0.328 28.045 28.738 -0.608 0.000 0.912 113 Q HN 0.525 nan 8.270 nan 0.000 0.436 114 S N -0.340 115.165 115.700 -0.325 0.000 2.420 114 S HA -0.163 4.311 4.470 0.006 0.000 0.237 114 S C 1.149 175.591 174.600 -0.264 0.000 1.023 114 S CA 1.023 59.069 58.200 -0.256 0.000 0.991 114 S CB -0.275 62.776 63.200 -0.248 0.000 0.792 114 S HN 0.549 nan 8.310 nan 0.000 0.488 115 H N -0.869 118.171 119.070 -0.051 0.000 2.539 115 H HA 0.157 4.716 4.556 0.006 0.000 0.267 115 H C -0.408 175.037 175.328 0.196 0.000 0.982 115 H CA 0.052 56.135 56.048 0.057 0.000 1.146 115 H CB -0.017 29.784 29.762 0.065 0.000 1.382 115 H HN 0.309 nan 8.280 nan 0.000 0.577 116 Y N 1.482 121.836 120.300 0.091 0.000 2.436 116 Y HA 0.020 4.574 4.550 0.006 0.000 0.336 116 Y C 0.877 176.801 175.900 0.040 0.000 1.049 116 Y CA -0.978 57.156 58.100 0.058 0.000 1.294 116 Y CB 0.181 38.661 38.460 0.034 0.000 1.179 116 Y HN 0.008 nan 8.280 nan 0.000 0.520 117 D N 2.403 122.913 120.400 0.184 0.000 2.845 117 D HA 0.414 5.058 4.640 0.006 0.000 0.235 117 D C 0.384 176.732 176.300 0.081 0.000 1.158 117 D CA 0.546 54.613 54.000 0.112 0.000 0.990 117 D CB -0.451 40.403 40.800 0.089 0.000 1.094 117 D HN 0.818 nan 8.370 nan 0.000 0.486 118 G N 0.159 109.013 108.800 0.089 0.000 2.359 118 G HA2 0.028 3.992 3.960 0.006 0.000 0.314 118 G HA3 0.028 3.992 3.960 0.006 0.000 0.314 118 G C -1.071 173.870 174.900 0.068 0.000 1.364 118 G CA -1.053 44.081 45.100 0.055 0.000 0.978 118 G HN 0.198 nan 8.290 nan 0.000 0.615 119 L N 0.553 121.798 121.223 0.036 0.000 2.439 119 L HA 0.498 4.842 4.340 0.006 0.000 0.269 119 L C 1.069 177.957 176.870 0.031 0.000 1.179 119 L CA -0.375 54.489 54.840 0.040 0.000 0.828 119 L CB 0.582 42.650 42.059 0.014 0.000 1.106 119 L HN 0.627 nan 8.230 nan 0.000 0.467 120 I N -1.241 119.363 120.570 0.056 0.000 2.947 120 I HA 0.585 4.759 4.170 0.006 0.000 0.314 120 I C -0.394 175.719 176.117 -0.006 0.000 1.028 120 I CA -0.817 60.483 61.300 0.001 0.000 1.077 120 I CB 1.483 39.480 38.000 -0.006 0.000 1.274 120 I HN 0.423 nan 8.210 nan 0.000 0.485 121 E N 1.334 121.511 120.200 -0.037 0.000 2.369 121 E HA 0.658 5.011 4.350 0.006 0.000 0.270 121 E C -0.011 176.554 176.600 -0.059 0.000 0.909 121 E CA -0.184 56.177 56.400 -0.065 0.000 0.775 121 E CB 1.821 31.464 29.700 -0.095 0.000 1.270 121 E HN 1.100 nan 8.360 nan 0.000 0.445 122 G N 0.759 109.509 108.800 -0.083 0.000 2.568 122 G HA2 -0.235 3.728 3.960 0.006 0.000 0.222 122 G HA3 -0.235 3.728 3.960 0.006 0.000 0.222 122 G C -0.199 174.686 174.900 -0.025 0.000 1.321 122 G CA -0.001 45.068 45.100 -0.052 0.000 0.893 122 G HN 0.846 nan 8.290 nan 0.000 0.569 123 T N -1.226 113.344 114.554 0.027 0.000 3.732 123 T HA 0.626 4.980 4.350 0.006 0.000 0.234 123 T C -2.211 172.552 174.700 0.105 0.000 1.146 123 T CA -0.161 61.994 62.100 0.091 0.000 1.454 123 T CB 1.813 70.822 68.868 0.235 0.000 0.910 123 T HN 0.662 nan 8.240 nan 0.000 0.640 124 P HA 0.134 nan 4.420 nan 0.000 0.272 124 P C -0.172 177.172 177.300 0.073 0.000 1.230 124 P CA -0.248 62.886 63.100 0.057 0.000 0.788 124 P CB 0.823 32.551 31.700 0.048 0.000 0.949 125 Q N 0.455 120.279 119.800 0.040 0.000 2.352 125 Q HA 0.397 4.741 4.340 0.006 0.000 0.260 125 Q C 0.307 176.354 176.000 0.079 0.000 0.976 125 Q CA -0.140 55.680 55.803 0.028 0.000 0.881 125 Q CB 0.253 28.971 28.738 -0.033 0.000 1.235 125 Q HN 0.619 nan 8.270 nan 0.000 0.419 126 G N 2.442 111.307 108.800 0.109 0.000 2.488 126 G HA2 0.522 4.486 3.960 0.006 0.000 0.318 126 G HA3 0.522 4.486 3.960 0.006 0.000 0.318 126 G C -1.437 173.549 174.900 0.143 0.000 1.188 126 G CA -0.568 44.610 45.100 0.130 0.000 0.944 126 G HN 0.610 nan 8.290 nan 0.000 0.495 127 I N -0.341 120.303 120.570 0.123 0.000 2.447 127 I HA 0.588 4.762 4.170 0.006 0.000 0.287 127 I C 0.819 176.986 176.117 0.082 0.000 1.023 127 I CA 0.181 61.551 61.300 0.117 0.000 1.083 127 I CB 1.188 39.248 38.000 0.099 0.000 1.245 127 I HN 1.299 nan 8.210 nan 0.000 0.434 128 G N 4.137 112.987 108.800 0.083 0.000 2.168 128 G HA2 0.104 4.068 3.960 0.006 0.000 0.263 128 G HA3 0.104 4.068 3.960 0.006 0.000 0.263 128 G C 0.482 175.400 174.900 0.030 0.000 0.977 128 G CA 0.226 45.350 45.100 0.041 0.000 0.659 128 G HN 1.752 nan 8.290 nan 0.000 0.533 129 G N -2.711 106.129 108.800 0.067 0.000 2.322 129 G HA2 0.565 4.529 3.960 0.006 0.000 0.295 129 G HA3 0.565 4.529 3.960 0.006 0.000 0.295 129 G C -1.354 173.607 174.900 0.102 0.000 1.369 129 G CA 0.151 45.284 45.100 0.054 0.000 0.821 129 G HN 1.139 nan 8.290 nan 0.000 0.536 130 V N 1.639 121.616 119.914 0.105 0.000 2.435 130 V HA 0.526 4.650 4.120 0.006 0.000 0.290 130 V C -2.104 174.061 176.094 0.118 0.000 1.030 130 V CA -1.519 60.869 62.300 0.146 0.000 0.881 130 V CB 2.059 33.995 31.823 0.188 0.000 0.983 130 V HN 0.533 nan 8.190 nan 0.000 0.445 131 P HA 0.196 nan 4.420 nan 0.000 0.271 131 P C -0.586 176.786 177.300 0.119 0.000 1.233 131 P CA -0.141 63.041 63.100 0.136 0.000 0.764 131 P CB 0.180 31.974 31.700 0.156 0.000 0.825 132 I N 4.261 124.912 120.570 0.135 0.000 2.379 132 I HA 0.236 4.410 4.170 0.006 0.000 0.290 132 I C 1.043 177.247 176.117 0.146 0.000 1.063 132 I CA 0.453 61.852 61.300 0.165 0.000 1.351 132 I CB -0.001 38.146 38.000 0.246 0.000 1.410 132 I HN 0.375 nan 8.210 nan 0.000 0.505 133 T N 2.898 117.515 114.554 0.104 0.000 2.883 133 T HA 0.411 4.765 4.350 0.006 0.000 0.301 133 T C 0.914 175.652 174.700 0.065 0.000 1.158 133 T CA -0.859 61.278 62.100 0.060 0.000 1.007 133 T CB 2.293 71.157 68.868 -0.006 0.000 1.186 133 T HN 0.593 nan 8.240 nan 0.000 0.499 134 R N 0.761 121.292 120.500 0.051 0.000 2.096 134 R HA -0.137 4.207 4.340 0.006 0.000 0.240 134 R C 2.275 178.635 176.300 0.101 0.000 1.139 134 R CA 2.139 58.294 56.100 0.093 0.000 0.952 134 R CB -0.318 30.021 30.300 0.066 0.000 0.854 134 R HN 0.786 nan 8.270 nan 0.000 0.436 135 K N 0.072 120.473 120.400 0.003 0.000 2.057 135 K HA -0.214 4.110 4.320 0.006 0.000 0.207 135 K C 2.250 178.792 176.600 -0.096 0.000 1.049 135 K CA 1.696 58.020 56.287 0.061 0.000 0.931 135 K CB -0.127 32.362 32.500 -0.019 0.000 0.714 135 K HN 0.170 nan 8.250 nan 0.000 0.440 136 Q N 0.921 120.567 119.800 -0.257 0.000 2.119 136 Q HA -0.110 4.234 4.340 0.006 0.000 0.201 136 Q C 1.984 177.818 176.000 -0.277 0.000 0.972 136 Q CA 1.566 57.018 55.803 -0.585 0.000 0.847 136 Q CB -0.159 28.223 28.738 -0.594 0.000 0.903 136 Q HN 0.263 nan 8.270 nan 0.000 0.433 137 V N 1.675 121.557 119.914 -0.052 0.000 2.295 137 V HA -0.257 3.867 4.120 0.006 0.000 0.246 137 V C 2.695 178.751 176.094 -0.064 0.000 1.049 137 V CA 2.160 64.484 62.300 0.040 0.000 1.024 137 V CB -0.598 31.339 31.823 0.189 0.000 0.648 137 V HN 0.356 nan 8.190 nan 0.000 0.447 138 R N -0.086 120.418 120.500 0.007 0.000 2.091 138 R HA -0.176 4.167 4.340 0.006 0.000 0.238 138 R C 2.434 178.556 176.300 -0.297 0.000 1.136 138 R CA 1.583 57.666 56.100 -0.028 0.000 0.959 138 R CB -0.641 29.742 30.300 0.138 0.000 0.856 138 R HN 0.553 nan 8.270 nan 0.000 0.437 139 A N 1.136 123.843 122.820 -0.188 0.000 1.877 139 A HA -0.219 4.105 4.320 0.006 0.000 0.216 139 A C 2.065 179.555 177.584 -0.158 0.000 1.186 139 A CA 1.312 53.267 52.037 -0.135 0.000 0.620 139 A CB -0.402 18.640 19.000 0.070 0.000 0.822 139 A HN 0.348 nan 8.150 nan 0.000 0.443 140 Q N -1.507 118.192 119.800 -0.168 0.000 2.123 140 Q HA -0.140 4.204 4.340 0.006 0.000 0.199 140 Q C 2.325 178.069 176.000 -0.427 0.000 0.966 140 Q CA 1.352 57.027 55.803 -0.213 0.000 0.845 140 Q CB -0.145 28.498 28.738 -0.158 0.000 0.907 140 Q HN 0.495 nan 8.270 nan 0.000 0.439 141 R N 1.648 121.822 120.500 -0.544 0.000 2.115 141 R HA -0.082 4.261 4.340 0.006 0.000 0.230 141 R C 1.890 178.026 176.300 -0.275 0.000 1.111 141 R CA 1.409 57.255 56.100 -0.424 0.000 0.976 141 R CB -0.093 30.074 30.300 -0.222 0.000 0.870 141 R HN 0.080 nan 8.270 nan 0.000 0.445 142 K N -0.680 119.394 120.400 -0.543 0.000 2.031 142 K HA -0.021 4.303 4.320 0.006 0.000 0.205 142 K C 1.814 178.275 176.600 -0.231 0.000 1.049 142 K CA 1.283 57.202 56.287 -0.614 0.000 0.939 142 K CB -0.196 31.733 32.500 -0.952 0.000 0.717 142 K HN 0.186 nan 8.250 nan 0.000 0.438 143 A N 1.329 124.036 122.820 -0.189 0.000 1.902 143 A HA -0.105 4.219 4.320 0.006 0.000 0.217 143 A C 2.093 179.647 177.584 -0.050 0.000 1.181 143 A CA 1.186 53.174 52.037 -0.083 0.000 0.623 143 A CB -0.579 18.394 19.000 -0.046 0.000 0.818 143 A HN 0.331 nan 8.150 nan 0.000 0.443 144 L N -0.581 120.595 121.223 -0.079 0.000 2.141 144 L HA -0.169 4.175 4.340 0.006 0.000 0.209 144 L C 1.949 178.808 176.870 -0.019 0.000 1.094 144 L CA 1.120 55.937 54.840 -0.039 0.000 0.763 144 L CB -0.561 41.460 42.059 -0.063 0.000 0.908 144 L HN 0.298 nan 8.230 nan 0.000 0.437 145 D N 0.211 120.601 120.400 -0.016 0.000 2.117 145 D HA -0.172 4.472 4.640 0.006 0.000 0.197 145 D C 2.356 178.664 176.300 0.013 0.000 0.987 145 D CA 1.228 55.239 54.000 0.018 0.000 0.829 145 D CB -0.155 40.692 40.800 0.077 0.000 0.961 145 D HN 0.239 nan 8.370 nan 0.000 0.460 146 L N 0.235 121.465 121.223 0.011 0.000 2.017 146 L HA -0.116 4.228 4.340 0.006 0.000 0.208 146 L C 2.493 179.382 176.870 0.031 0.000 1.073 146 L CA 0.733 55.585 54.840 0.020 0.000 0.745 146 L CB -0.275 41.795 42.059 0.018 0.000 0.894 146 L HN 0.026 nan 8.230 nan 0.000 0.432 147 I N 0.010 120.601 120.570 0.036 0.000 2.202 147 I HA -0.281 3.893 4.170 0.006 0.000 0.242 147 I C 2.683 178.810 176.117 0.016 0.000 1.091 147 I CA 1.602 62.939 61.300 0.062 0.000 1.368 147 I CB -0.415 37.632 38.000 0.079 0.000 1.058 147 I HN 0.390 nan 8.210 nan 0.000 0.410 148 E N 1.544 121.740 120.200 -0.008 0.000 2.150 148 E HA -0.248 4.106 4.350 0.006 0.000 0.193 148 E C 1.733 178.300 176.600 -0.056 0.000 0.985 148 E CA 1.215 57.590 56.400 -0.042 0.000 0.814 148 E CB -0.304 29.369 29.700 -0.044 0.000 0.752 148 E HN 0.552 nan 8.360 nan 0.000 0.466 149 E N 1.140 121.321 120.200 -0.033 0.000 2.077 149 E HA -0.227 4.127 4.350 0.006 0.000 0.193 149 E C 2.103 178.673 176.600 -0.050 0.000 0.989 149 E CA 1.387 57.766 56.400 -0.034 0.000 0.800 149 E CB -0.083 29.611 29.700 -0.011 0.000 0.746 149 E HN 0.434 nan 8.360 nan 0.000 0.452 150 E N 0.743 120.922 120.200 -0.034 0.000 2.051 150 E HA -0.184 4.170 4.350 0.006 0.000 0.192 150 E C 2.187 178.660 176.600 -0.213 0.000 0.991 150 E CA 1.846 58.218 56.400 -0.047 0.000 0.799 150 E CB 0.106 29.854 29.700 0.080 0.000 0.748 150 E HN 0.244 nan 8.360 nan 0.000 0.449 151 V N -2.800 116.944 119.914 -0.282 0.000 2.871 151 V HA 0.259 4.382 4.120 0.006 0.000 0.256 151 V C 1.486 177.416 176.094 -0.274 0.000 1.082 151 V CA 0.961 63.000 62.300 -0.435 0.000 1.105 151 V CB -0.219 31.339 31.823 -0.442 0.000 0.713 151 V HN 0.423 nan 8.190 nan 0.000 0.473 152 G N 0.302 108.996 108.800 -0.177 0.000 2.132 152 G HA2 -0.259 3.705 3.960 0.006 0.000 0.228 152 G HA3 -0.259 3.705 3.960 0.006 0.000 0.228 152 G C 0.111 174.945 174.900 -0.110 0.000 1.000 152 G CA 0.327 45.350 45.100 -0.129 0.000 0.693 152 G HN 0.905 nan 8.290 nan 0.000 0.515 153 R N 0.216 120.650 120.500 -0.111 0.000 2.566 153 R HA 0.506 4.850 4.340 0.006 0.000 0.271 153 R C -2.794 173.446 176.300 -0.100 0.000 1.071 153 R CA -1.729 54.311 56.100 -0.099 0.000 0.915 153 R CB 2.351 32.590 30.300 -0.101 0.000 1.228 153 R HN 0.034 nan 8.270 nan 0.000 0.449 154 P HA 0.122 nan 4.420 nan 0.000 0.268 154 P C -0.605 176.606 177.300 -0.148 0.000 1.205 154 P CA 0.190 63.218 63.100 -0.120 0.000 0.771 154 P CB 0.782 32.399 31.700 -0.137 0.000 0.858 155 I N 2.778 123.276 120.570 -0.121 0.000 2.404 155 I HA 0.241 4.415 4.170 0.006 0.000 0.293 155 I C 0.589 176.628 176.117 -0.129 0.000 0.992 155 I CA -0.773 60.461 61.300 -0.110 0.000 1.149 155 I CB 1.196 39.180 38.000 -0.028 0.000 1.315 155 I HN 0.153 nan 8.210 nan 0.000 0.446 156 N N 5.152 123.720 118.700 -0.220 0.000 2.458 156 N HA 0.138 4.882 4.740 0.006 0.000 0.270 156 N C -1.062 174.527 175.510 0.133 0.000 1.102 156 N CA -0.160 52.751 53.050 -0.233 0.000 0.967 156 N CB 1.267 39.264 38.487 -0.816 0.000 1.078 156 N HN 0.420 nan 8.380 nan 0.000 0.471 157 Y N 1.834 122.155 120.300 0.034 0.000 2.342 157 Y HA 0.312 4.866 4.550 0.006 0.000 0.334 157 Y C -0.632 175.355 175.900 0.145 0.000 1.067 157 Y CA -0.640 57.508 58.100 0.080 0.000 1.128 157 Y CB 0.739 39.200 38.460 0.003 0.000 1.200 157 Y HN 0.578 nan 8.280 nan 0.000 0.464 158 H N 2.975 121.745 119.070 -0.500 0.000 2.954 158 H HA 0.576 5.136 4.556 0.006 0.000 0.361 158 H C -1.229 173.810 175.328 -0.482 0.000 1.122 158 H CA -0.225 55.644 56.048 -0.298 0.000 1.217 158 H CB 1.731 31.555 29.762 0.104 0.000 1.776 158 H HN 0.728 nan 8.280 nan 0.000 0.533 159 S N 2.615 118.068 115.700 -0.411 0.000 3.121 159 S HA 0.477 4.951 4.470 0.006 0.000 0.324 159 S C -1.860 172.752 174.600 0.020 0.000 1.192 159 S CA -0.551 57.609 58.200 -0.067 0.000 0.937 159 S CB 0.580 63.748 63.200 -0.053 0.000 1.336 159 S HN 0.517 nan 8.310 nan 0.000 0.664 160 Y N 0.485 120.910 120.300 0.209 0.000 2.376 160 Y HA 0.496 5.050 4.550 0.006 0.000 0.340 160 Y C 0.611 176.591 175.900 0.134 0.000 0.965 160 Y CA -0.709 57.470 58.100 0.131 0.000 1.078 160 Y CB 1.896 40.323 38.460 -0.055 0.000 1.193 160 Y HN 0.295 nan 8.280 nan 0.000 0.452 161 V N 1.319 121.340 119.914 0.178 0.000 3.647 161 V HA -0.012 4.112 4.120 0.006 0.000 0.279 161 V C 0.547 176.641 176.094 0.001 0.000 1.314 161 V CA 0.218 62.513 62.300 -0.008 0.000 1.125 161 V CB -0.464 31.347 31.823 -0.019 0.000 0.907 161 V HN 0.717 nan 8.190 nan 0.000 0.434 162 S N 0.658 116.395 115.700 0.062 0.000 2.569 162 S HA 0.495 4.969 4.470 0.006 0.000 0.274 162 S C 0.754 175.372 174.600 0.030 0.000 1.353 162 S CA 0.717 58.957 58.200 0.066 0.000 1.023 162 S CB 0.791 64.030 63.200 0.065 0.000 0.876 162 S HN 0.958 nan 8.310 nan 0.000 0.540 163 G N -0.303 108.520 108.800 0.040 0.000 2.447 163 G HA2 -0.155 3.809 3.960 0.006 0.000 0.220 163 G HA3 -0.155 3.809 3.960 0.006 0.000 0.220 163 G C 0.420 175.301 174.900 -0.032 0.000 1.261 163 G CA -0.174 44.905 45.100 -0.034 0.000 1.000 163 G HN 1.500 nan 8.290 nan 0.000 0.515 164 V N -2.899 117.002 119.914 -0.021 0.000 3.541 164 V HA 0.608 4.732 4.120 0.006 0.000 0.267 164 V C 1.776 177.882 176.094 0.021 0.000 1.213 164 V CA 2.092 64.399 62.300 0.011 0.000 1.149 164 V CB 0.187 32.038 31.823 0.047 0.000 0.822 164 V HN 2.361 nan 8.190 nan 0.000 0.462 165 A N 0.460 123.286 122.820 0.011 0.000 2.793 165 A HA 0.680 5.004 4.320 0.006 0.000 0.301 165 A C 1.739 179.304 177.584 -0.031 0.000 1.172 165 A CA 0.376 52.417 52.037 0.007 0.000 0.973 165 A CB -0.390 18.626 19.000 0.027 0.000 1.164 165 A HN 0.524 nan 8.150 nan 0.000 0.542 166 G N 1.663 110.442 108.800 -0.035 0.000 2.529 166 G HA2 -0.210 3.754 3.960 0.006 0.000 0.219 166 G HA3 -0.210 3.754 3.960 0.006 0.000 0.219 166 G C -0.301 174.564 174.900 -0.059 0.000 1.177 166 G CA 1.566 46.632 45.100 -0.057 0.000 0.773 166 G HN 0.468 nan 8.290 nan 0.000 0.573 167 P HA -0.043 nan 4.420 nan 0.000 0.215 167 P C 1.026 178.311 177.300 -0.025 0.000 1.157 167 P CA 1.640 64.736 63.100 -0.006 0.000 0.868 167 P CB -0.118 31.601 31.700 0.032 0.000 0.788 168 D N -0.685 119.700 120.400 -0.026 0.000 2.092 168 D HA -0.158 4.486 4.640 0.006 0.000 0.193 168 D C 1.917 178.160 176.300 -0.094 0.000 0.994 168 D CA 1.104 55.083 54.000 -0.035 0.000 0.828 168 D CB -0.896 39.894 40.800 -0.017 0.000 0.963 168 D HN 0.178 nan 8.370 nan 0.000 0.450 169 I N 0.818 121.282 120.570 -0.177 0.000 2.252 169 I HA -0.227 3.947 4.170 0.006 0.000 0.245 169 I C 2.440 178.253 176.117 -0.507 0.000 1.102 169 I CA 0.886 61.943 61.300 -0.405 0.000 1.385 169 I CB -0.328 37.355 38.000 -0.529 0.000 1.064 169 I HN -0.020 nan 8.210 nan 0.000 0.414 170 A N 0.614 123.263 122.820 -0.285 0.000 1.908 170 A HA -0.180 4.144 4.320 0.006 0.000 0.218 170 A C 2.460 180.050 177.584 0.009 0.000 1.181 170 A CA 1.937 53.911 52.037 -0.104 0.000 0.627 170 A CB -1.022 17.963 19.000 -0.025 0.000 0.818 170 A HN 0.248 nan 8.150 nan 0.000 0.445 171 V N -0.200 119.705 119.914 -0.015 0.000 2.295 171 V HA -0.297 3.827 4.120 0.006 0.000 0.246 171 V C 2.600 178.734 176.094 0.067 0.000 1.049 171 V CA 2.157 64.465 62.300 0.013 0.000 1.024 171 V CB -0.614 31.204 31.823 -0.009 0.000 0.648 171 V HN 0.683 nan 8.190 nan 0.000 0.447 172 M N -0.847 118.789 119.600 0.059 0.000 2.117 172 M HA -0.159 4.325 4.480 0.006 0.000 0.262 172 M C 2.192 178.693 176.300 0.335 0.000 1.065 172 M CA 2.165 57.555 55.300 0.150 0.000 1.114 172 M CB -0.604 32.063 32.600 0.111 0.000 1.361 172 M HN 0.320 nan 8.290 nan 0.000 0.408 173 F N 0.680 120.690 119.950 0.101 0.000 2.134 173 F HA -0.080 4.451 4.527 0.006 0.000 0.299 173 F C 2.788 178.676 175.800 0.147 0.000 1.097 173 F CA 1.130 59.203 58.000 0.121 0.000 1.264 173 F CB -1.803 37.249 39.000 0.088 0.000 1.001 173 F HN 0.236 nan 8.300 nan 0.000 0.479 174 A N 0.005 123.036 122.820 0.351 0.000 1.877 174 A HA -0.214 4.110 4.320 0.006 0.000 0.216 174 A C 2.156 179.930 177.584 0.317 0.000 1.186 174 A CA 1.804 54.046 52.037 0.342 0.000 0.620 174 A CB -0.867 18.326 19.000 0.323 0.000 0.822 174 A HN 0.425 nan 8.150 nan 0.000 0.443 175 E N -0.383 119.952 120.200 0.225 0.000 2.110 175 E HA -0.152 4.202 4.350 0.006 0.000 0.193 175 E C 1.192 177.899 176.600 0.179 0.000 0.988 175 E CA 1.185 57.693 56.400 0.180 0.000 0.804 175 E CB -0.034 29.743 29.700 0.128 0.000 0.745 175 E HN 0.511 nan 8.360 nan 0.000 0.458 176 E N -0.628 119.696 120.200 0.207 0.000 2.463 176 E HA 0.089 4.443 4.350 0.006 0.000 0.193 176 E C 0.691 177.393 176.600 0.170 0.000 1.041 176 E CA 0.391 56.906 56.400 0.192 0.000 0.879 176 E CB 0.980 30.818 29.700 0.231 0.000 0.997 176 E HN 0.342 nan 8.360 nan 0.000 0.478 177 G N 1.380 110.278 108.800 0.163 0.000 2.176 177 G HA2 -0.286 3.678 3.960 0.006 0.000 0.252 177 G HA3 -0.286 3.678 3.960 0.006 0.000 0.252 177 G C 0.436 175.414 174.900 0.129 0.000 1.024 177 G CA 0.344 45.520 45.100 0.127 0.000 0.755 177 G HN 0.179 nan 8.290 nan 0.000 0.507 178 V N 0.145 120.138 119.914 0.132 0.000 2.585 178 V HA 0.118 4.241 4.120 0.006 0.000 0.296 178 V C 1.506 177.644 176.094 0.073 0.000 1.035 178 V CA 0.983 63.326 62.300 0.071 0.000 1.084 178 V CB 1.030 32.692 31.823 -0.269 0.000 0.953 178 V HN 0.499 nan 8.190 nan 0.000 0.483 179 N N 2.497 121.257 118.700 0.100 0.000 2.395 179 N HA 0.240 4.984 4.740 0.006 0.000 0.175 179 N C 0.566 176.225 175.510 0.248 0.000 1.029 179 N CA 0.726 53.865 53.050 0.148 0.000 0.897 179 N CB 0.271 38.809 38.487 0.084 0.000 0.991 179 N HN 0.799 nan 8.380 nan 0.000 0.441 180 G N -1.222 107.654 108.800 0.126 0.000 2.692 180 G HA2 0.801 4.765 3.960 0.006 0.000 0.291 180 G HA3 0.801 4.765 3.960 0.006 0.000 0.291 180 G C -1.914 172.596 174.900 -0.650 0.000 1.423 180 G CA -0.318 44.742 45.100 -0.066 0.000 0.843 180 G HN 0.208 nan 8.290 nan 0.000 0.486 181 A N -0.131 122.310 122.820 -0.631 0.000 2.612 181 A HA 0.697 5.021 4.320 0.006 0.000 0.293 181 A C -1.472 176.002 177.584 -0.183 0.000 1.075 181 A CA -0.806 50.856 52.037 -0.626 0.000 0.680 181 A CB 0.952 19.908 19.000 -0.074 0.000 1.279 181 A HN 0.824 nan 8.150 nan 0.000 0.411 182 H N 1.409 120.350 119.070 -0.214 0.000 2.767 182 H HA 0.548 5.108 4.556 0.007 0.000 0.316 182 H C -0.095 175.200 175.328 -0.055 0.000 1.059 182 H CA 0.902 56.880 56.048 -0.116 0.000 1.461 182 H CB 0.797 30.411 29.762 -0.246 0.000 1.475 182 H HN 0.448 nan 8.280 nan 0.000 0.531 183 Q N 2.799 122.624 119.800 0.042 0.000 2.275 183 Q HA 0.223 4.566 4.340 0.006 0.000 0.258 183 Q C -1.793 174.197 176.000 -0.017 0.000 0.960 183 Q CA -0.604 55.212 55.803 0.020 0.000 0.801 183 Q CB 2.061 30.805 28.738 0.011 0.000 1.302 183 Q HN 0.740 nan 8.270 nan 0.000 0.433 184 D N 5.229 125.610 120.400 -0.032 0.000 2.613 184 D HA 0.265 4.909 4.640 0.006 0.000 0.230 184 D C -1.988 174.206 176.300 -0.178 0.000 1.365 184 D CA -1.400 52.543 54.000 -0.094 0.000 0.976 184 D CB 2.074 42.860 40.800 -0.023 0.000 1.415 184 D HN 0.176 nan 8.370 nan 0.000 0.589 185 P HA -0.150 nan 4.420 nan 0.000 0.219 185 P C 1.064 178.032 177.300 -0.554 0.000 1.146 185 P CA 1.038 63.707 63.100 -0.719 0.000 0.808 185 P CB 0.629 31.349 31.700 -1.633 0.000 0.779 186 Q N -1.441 118.128 119.800 -0.385 0.000 2.167 186 Q HA -0.186 4.157 4.340 0.006 0.000 0.202 186 Q C 2.271 178.220 176.000 -0.084 0.000 0.970 186 Q CA 1.108 56.809 55.803 -0.169 0.000 0.855 186 Q CB -0.701 27.957 28.738 -0.133 0.000 0.911 186 Q HN 0.290 nan 8.270 nan 0.000 0.438 187 Y N 2.174 122.434 120.300 -0.067 0.000 2.114 187 Y HA -0.272 4.282 4.550 0.006 0.000 0.284 187 Y C 1.744 177.662 175.900 0.030 0.000 1.143 187 Y CA 1.703 59.871 58.100 0.112 0.000 1.135 187 Y CB -0.268 38.239 38.460 0.077 0.000 0.980 187 Y HN 0.096 nan 8.280 nan 0.000 0.499 188 N N 0.238 118.867 118.700 -0.118 0.000 2.061 188 N HA -0.205 4.539 4.740 0.006 0.000 0.193 188 N C 1.947 177.298 175.510 -0.265 0.000 1.030 188 N CA 2.041 54.960 53.050 -0.218 0.000 0.856 188 N CB -0.841 37.578 38.487 -0.113 0.000 1.023 188 N HN 0.369 nan 8.380 nan 0.000 0.424 189 V N 1.519 121.304 119.914 -0.214 0.000 2.255 189 V HA -0.106 4.017 4.120 0.006 0.000 0.243 189 V C 2.456 178.383 176.094 -0.277 0.000 1.038 189 V CA 1.168 63.363 62.300 -0.175 0.000 1.008 189 V CB -0.605 31.187 31.823 -0.052 0.000 0.645 189 V HN 0.184 nan 8.190 nan 0.000 0.449 190 L N -1.414 119.548 121.223 -0.435 0.000 2.093 190 L HA -0.154 4.190 4.340 0.006 0.000 0.208 190 L C 2.357 178.800 176.870 -0.713 0.000 1.085 190 L CA 1.805 56.240 54.840 -0.674 0.000 0.755 190 L CB -0.453 40.949 42.059 -1.095 0.000 0.904 190 L HN 0.388 nan 8.230 nan 0.000 0.435 191 Y N -2.107 118.010 120.300 -0.305 0.000 2.498 191 Y HA 0.179 4.733 4.550 0.006 0.000 0.259 191 Y C 2.170 177.874 175.900 -0.327 0.000 1.086 191 Y CA -0.161 57.750 58.100 -0.315 0.000 1.287 191 Y CB 0.264 38.501 38.460 -0.372 0.000 1.146 191 Y HN -0.097 nan 8.280 nan 0.000 0.523 192 R N 0.099 120.417 120.500 -0.303 0.000 2.476 192 R HA 0.138 4.482 4.340 0.006 0.000 0.276 192 R C 0.034 176.303 176.300 -0.051 0.000 0.941 192 R CA 0.001 55.991 56.100 -0.184 0.000 1.088 192 R CB -0.358 29.736 30.300 -0.343 0.000 1.216 192 R HN 0.191 nan 8.270 nan 0.000 0.533 193 N N 1.133 119.770 118.700 -0.105 0.000 2.735 193 N HA -0.199 4.544 4.740 0.006 0.000 0.248 193 N C -0.813 174.678 175.510 -0.031 0.000 1.083 193 N CA 0.378 53.390 53.050 -0.063 0.000 0.703 193 N CB -1.436 37.035 38.487 -0.026 0.000 1.005 193 N HN 0.281 nan 8.380 nan 0.000 0.550 194 I N 0.641 121.174 120.570 -0.061 0.000 2.474 194 I HA 0.057 4.230 4.170 0.006 0.000 0.287 194 I C 1.341 177.425 176.117 -0.055 0.000 1.048 194 I CA -0.542 60.734 61.300 -0.039 0.000 1.383 194 I CB 0.667 38.631 38.000 -0.060 0.000 1.412 194 I HN 0.251 nan 8.210 nan 0.000 0.531 195 N N 6.752 125.425 118.700 -0.046 0.000 2.356 195 N HA -0.059 4.685 4.740 0.006 0.000 0.252 195 N C 1.012 176.480 175.510 -0.070 0.000 1.241 195 N CA 0.037 53.043 53.050 -0.073 0.000 0.861 195 N CB 0.792 39.236 38.487 -0.071 0.000 1.075 195 N HN 0.703 nan 8.380 nan 0.000 0.461 196 M N 3.386 122.908 119.600 -0.130 0.000 2.319 196 M HA -0.047 4.437 4.480 0.006 0.000 0.265 196 M C 1.362 177.677 176.300 0.025 0.000 1.068 196 M CA 1.242 56.515 55.300 -0.046 0.000 1.118 196 M CB -0.127 32.367 32.600 -0.177 0.000 1.395 196 M HN 0.444 nan 8.290 nan 0.000 0.435 197 I N 0.677 121.144 120.570 -0.173 0.000 2.233 197 I HA -0.174 4.000 4.170 0.006 0.000 0.243 197 I C 2.837 179.021 176.117 0.112 0.000 1.093 197 I CA 1.208 62.517 61.300 0.016 0.000 1.380 197 I CB -0.493 37.464 38.000 -0.072 0.000 1.067 197 I HN 0.321 nan 8.210 nan 0.000 0.413 198 R N 1.204 121.724 120.500 0.034 0.000 2.083 198 R HA -0.194 4.150 4.340 0.006 0.000 0.237 198 R C 2.449 178.780 176.300 0.053 0.000 1.137 198 R CA 2.249 58.374 56.100 0.042 0.000 0.951 198 R CB -0.850 29.456 30.300 0.010 0.000 0.851 198 R HN 0.241 nan 8.270 nan 0.000 0.434 199 S N -0.938 114.780 115.700 0.031 0.000 2.359 199 S HA -0.144 4.329 4.470 0.006 0.000 0.224 199 S C 1.778 176.299 174.600 -0.131 0.000 1.035 199 S CA 1.531 59.688 58.200 -0.071 0.000 1.018 199 S CB -0.421 62.695 63.200 -0.141 0.000 0.876 199 S HN 0.435 nan 8.310 nan 0.000 0.448 200 F N 1.209 121.161 119.950 0.002 0.000 2.259 200 F HA 0.178 4.709 4.527 0.007 0.000 0.298 200 F C 2.074 177.913 175.800 0.066 0.000 1.088 200 F CA 0.789 58.774 58.000 -0.026 0.000 1.358 200 F CB -0.276 38.741 39.000 0.028 0.000 1.040 200 F HN 0.223 nan 8.300 nan 0.000 0.505 201 I N -0.214 120.498 120.570 0.237 0.000 2.202 201 I HA -0.273 3.901 4.170 0.006 0.000 0.242 201 I C 1.888 178.056 176.117 0.086 0.000 1.091 201 I CA 1.271 62.668 61.300 0.162 0.000 1.368 201 I CB -0.468 37.622 38.000 0.149 0.000 1.058 201 I HN 0.007 nan 8.210 nan 0.000 0.410 202 D N 1.218 121.653 120.400 0.057 0.000 2.149 202 D HA -0.156 4.488 4.640 0.006 0.000 0.198 202 D C 2.244 178.541 176.300 -0.005 0.000 0.990 202 D CA 1.523 55.538 54.000 0.025 0.000 0.839 202 D CB -0.207 40.598 40.800 0.008 0.000 0.948 202 D HN 0.341 nan 8.370 nan 0.000 0.460 203 A N 0.188 122.991 122.820 -0.028 0.000 1.933 203 A HA -0.197 4.127 4.320 0.006 0.000 0.218 203 A C 2.483 180.099 177.584 0.052 0.000 1.175 203 A CA 1.258 53.280 52.037 -0.024 0.000 0.628 203 A CB -0.949 17.940 19.000 -0.185 0.000 0.814 203 A HN 0.358 nan 8.150 nan 0.000 0.444 204 C N -1.089 118.207 119.300 -0.007 0.000 2.413 204 C HA -0.087 4.377 4.460 0.006 0.000 0.276 204 C C 2.707 177.505 174.990 -0.320 0.000 1.248 204 C CA 1.505 60.255 59.018 -0.446 0.000 1.742 204 C CB -0.978 26.204 27.740 -0.930 0.000 2.017 204 C HN 0.792 nan 8.230 nan 0.000 0.481 205 E N 1.138 121.269 120.200 -0.114 0.000 2.028 205 E HA -0.103 4.251 4.350 0.006 0.000 0.190 205 E C 2.248 178.853 176.600 0.007 0.000 0.984 205 E CA 1.595 57.982 56.400 -0.021 0.000 0.800 205 E CB -0.260 29.447 29.700 0.011 0.000 0.758 205 E HN 0.480 nan 8.360 nan 0.000 0.448 206 S N 0.565 116.266 115.700 0.003 0.000 2.372 206 S HA -0.212 4.262 4.470 0.006 0.000 0.227 206 S C 1.800 176.422 174.600 0.037 0.000 1.044 206 S CA 1.682 59.890 58.200 0.013 0.000 1.050 206 S CB -0.287 62.910 63.200 -0.005 0.000 0.901 206 S HN 0.257 nan 8.310 nan 0.000 0.447 207 K N 0.255 120.675 120.400 0.034 0.000 2.155 207 K HA 0.005 4.329 4.320 0.006 0.000 0.203 207 K C 2.266 178.910 176.600 0.072 0.000 1.052 207 K CA 1.281 57.600 56.287 0.054 0.000 0.948 207 K CB -0.329 32.208 32.500 0.063 0.000 0.728 207 K HN 0.284 nan 8.250 nan 0.000 0.448 208 T N 1.802 116.397 114.554 0.067 0.000 2.746 208 T HA -0.079 4.275 4.350 0.006 0.000 0.267 208 T C 1.891 176.690 174.700 0.164 0.000 1.039 208 T CA 1.047 63.223 62.100 0.128 0.000 1.142 208 T CB -0.130 68.832 68.868 0.157 0.000 0.866 208 T HN 0.127 nan 8.240 nan 0.000 0.444 209 I N 0.610 121.259 120.570 0.132 0.000 2.252 209 I HA -0.164 4.010 4.170 0.006 0.000 0.245 209 I C 2.513 178.775 176.117 0.242 0.000 1.102 209 I CA 1.314 62.708 61.300 0.157 0.000 1.385 209 I CB -0.361 37.690 38.000 0.085 0.000 1.064 209 I HN 0.234 nan 8.210 nan 0.000 0.414 210 M N 0.268 119.974 119.600 0.177 0.000 2.117 210 M HA -0.195 4.289 4.480 0.006 0.000 0.262 210 M C 2.552 178.954 176.300 0.170 0.000 1.065 210 M CA 1.991 57.393 55.300 0.169 0.000 1.114 210 M CB -0.475 32.191 32.600 0.109 0.000 1.361 210 M HN 0.328 nan 8.290 nan 0.000 0.408 211 A N -0.482 122.434 122.820 0.161 0.000 1.902 211 A HA -0.238 4.085 4.320 0.006 0.000 0.217 211 A C 1.873 179.564 177.584 0.178 0.000 1.181 211 A CA 1.565 53.688 52.037 0.143 0.000 0.623 211 A CB -1.340 17.738 19.000 0.132 0.000 0.818 211 A HN 0.792 nan 8.150 nan 0.000 0.443 212 W N 0.635 121.972 121.300 0.061 0.000 2.363 212 W HA -0.076 4.588 4.660 0.006 0.000 0.296 212 W C 2.046 178.601 176.519 0.060 0.000 1.212 212 W CA 1.921 59.302 57.345 0.060 0.000 1.260 212 W CB 0.023 29.521 29.460 0.064 0.000 1.131 212 W HN 0.310 nan 8.180 nan 0.000 0.530 213 A N 0.226 123.231 122.820 0.308 0.000 2.238 213 A HA 0.017 4.341 4.320 0.006 0.000 0.208 213 A C 0.766 178.347 177.584 -0.005 0.000 1.177 213 A CA 1.069 53.188 52.037 0.135 0.000 0.804 213 A CB -0.901 18.305 19.000 0.344 0.000 0.823 213 A HN 0.403 nan 8.150 nan 0.000 0.482 214 D N -1.604 118.786 120.400 -0.016 0.000 2.701 214 D HA -0.181 4.463 4.640 0.006 0.000 0.235 214 D C -0.024 176.311 176.300 0.059 0.000 1.155 214 D CA 0.966 54.970 54.000 0.007 0.000 0.649 214 D CB -1.609 39.171 40.800 -0.034 0.000 1.050 214 D HN 0.568 nan 8.370 nan 0.000 0.425 215 M N 0.199 119.840 119.600 0.069 0.000 2.255 215 M HA 0.481 4.965 4.480 0.006 0.000 0.336 215 M C 0.904 177.180 176.300 -0.041 0.000 1.135 215 M CA -0.200 55.136 55.300 0.059 0.000 1.145 215 M CB 1.401 34.041 32.600 0.067 0.000 1.473 215 M HN 0.199 nan 8.290 nan 0.000 0.462 216 A N 2.432 125.140 122.820 -0.186 0.000 2.354 216 A HA 0.305 4.629 4.320 0.006 0.000 0.269 216 A C -0.547 176.862 177.584 -0.291 0.000 1.109 216 A CA -0.367 51.377 52.037 -0.489 0.000 0.800 216 A CB 0.444 18.540 19.000 -1.508 0.000 1.045 216 A HN 0.792 nan 8.150 nan 0.000 0.489 217 Q N 2.009 121.685 119.800 -0.206 0.000 2.316 217 Q HA 0.629 4.973 4.340 0.006 0.000 0.264 217 Q C -1.525 174.383 176.000 -0.154 0.000 0.987 217 Q CA -0.425 55.300 55.803 -0.130 0.000 0.852 217 Q CB 1.028 29.736 28.738 -0.050 0.000 1.287 217 Q HN 0.714 nan 8.270 nan 0.000 0.448 218 I N 3.669 124.119 120.570 -0.199 0.000 2.412 218 I HA 0.223 4.397 4.170 0.006 0.000 0.296 218 I C -0.045 175.921 176.117 -0.251 0.000 0.987 218 I CA -0.844 60.273 61.300 -0.306 0.000 1.180 218 I CB 1.509 39.137 38.000 -0.621 0.000 1.340 218 I HN 0.757 nan 8.210 nan 0.000 0.455 224 A N 1.372 124.054 122.820 -0.230 0.000 1.978 224 A HA -0.087 4.237 4.320 0.006 0.000 0.220 224 A C 2.086 179.543 177.584 -0.211 0.000 1.170 224 A CA 2.038 53.915 52.037 -0.267 0.000 0.636 224 A CB -0.916 17.724 19.000 -0.601 0.000 0.810 224 A HN 0.745 nan 8.150 nan 0.000 0.448 225 H N -0.227 118.837 119.070 -0.009 0.000 2.492 225 H HA -0.117 4.442 4.556 0.006 0.000 0.296 225 H C 1.320 176.600 175.328 -0.081 0.000 1.095 225 H CA 1.280 57.321 56.048 -0.012 0.000 1.281 225 H CB -0.719 29.053 29.762 0.016 0.000 1.374 225 H HN 0.495 nan 8.280 nan 0.000 0.545 226 N N 1.397 119.795 118.700 -0.502 0.000 2.223 226 N HA -0.062 4.682 4.740 0.006 0.000 0.185 226 N C 2.126 177.411 175.510 -0.376 0.000 1.016 226 N CA 1.240 53.965 53.050 -0.541 0.000 0.863 226 N CB -0.140 37.714 38.487 -1.056 0.000 0.983 226 N HN 0.530 nan 8.380 nan 0.000 0.429 227 A N 1.412 124.141 122.820 -0.153 0.000 1.969 227 A HA -0.111 4.213 4.320 0.006 0.000 0.218 227 A C 2.010 179.591 177.584 -0.005 0.000 1.169 227 A CA 1.207 53.262 52.037 0.031 0.000 0.635 227 A CB -0.487 18.568 19.000 0.091 0.000 0.810 227 A HN 0.260 nan 8.150 nan 0.000 0.445 228 N N 0.767 119.450 118.700 -0.028 0.000 2.043 228 N HA -0.119 4.624 4.740 0.006 0.000 0.193 228 N C 1.807 177.278 175.510 -0.066 0.000 1.037 228 N CA 1.899 54.932 53.050 -0.029 0.000 0.851 228 N CB -0.405 38.082 38.487 -0.001 0.000 1.027 228 N HN 0.461 nan 8.380 nan 0.000 0.422 229 A N -0.174 122.601 122.820 -0.075 0.000 1.969 229 A HA -0.090 4.234 4.320 0.006 0.000 0.218 229 A C 2.101 179.646 177.584 -0.066 0.000 1.169 229 A CA 1.885 53.868 52.037 -0.090 0.000 0.635 229 A CB -0.928 18.023 19.000 -0.081 0.000 0.810 229 A HN 0.504 nan 8.150 nan 0.000 0.445 230 T N -2.811 111.723 114.554 -0.032 0.000 3.081 230 T HA 0.541 4.895 4.350 0.006 0.000 0.250 230 T C 0.784 175.498 174.700 0.023 0.000 1.100 230 T CA 0.400 62.517 62.100 0.027 0.000 1.038 230 T CB -0.345 68.606 68.868 0.137 0.000 0.962 230 T HN 0.555 nan 8.240 nan 0.000 0.516 231 A N 1.878 124.694 122.820 -0.008 0.000 2.407 231 A HA 0.516 4.840 4.320 0.006 0.000 0.248 231 A C 1.450 178.999 177.584 -0.059 0.000 1.082 231 A CA -0.711 51.308 52.037 -0.030 0.000 0.785 231 A CB 0.499 19.466 19.000 -0.054 0.000 1.020 231 A HN 0.188 nan 8.150 nan 0.000 0.489 232 R N 0.741 121.195 120.500 -0.077 0.000 2.073 232 R HA 0.017 4.360 4.340 0.006 0.000 0.229 232 R C -0.327 175.885 176.300 -0.147 0.000 1.120 232 R CA 1.158 57.210 56.100 -0.081 0.000 0.967 232 R CB -0.438 29.818 30.300 -0.074 0.000 0.862 232 R HN 0.819 nan 8.270 nan 0.000 0.436 233 E N -0.680 119.324 120.200 -0.327 0.000 2.279 233 E HA 0.376 4.730 4.350 0.006 0.000 0.252 233 E C -0.308 175.924 176.600 -0.613 0.000 0.894 233 E CA -0.082 55.882 56.400 -0.725 0.000 0.785 233 E CB 1.886 30.688 29.700 -1.497 0.000 1.237 233 E HN 0.096 nan 8.360 nan 0.000 0.418 234 A N 3.049 125.781 122.820 -0.146 0.000 2.121 234 A HA -0.115 4.209 4.320 0.006 0.000 0.218 234 A C 1.334 178.916 177.584 -0.002 0.000 1.154 234 A CA 0.772 52.808 52.037 -0.002 0.000 0.679 234 A CB -0.653 18.450 19.000 0.173 0.000 0.795 234 A HN 0.883 nan 8.150 nan 0.000 0.458 235 W N -0.597 120.697 121.300 -0.010 0.000 2.961 235 W HA 0.227 4.890 4.660 0.006 0.000 0.240 235 W C 0.873 177.231 176.519 -0.268 0.000 1.305 235 W CA 0.673 57.948 57.345 -0.117 0.000 1.465 235 W CB -0.001 29.394 29.460 -0.108 0.000 1.135 235 W HN 0.116 nan 8.180 nan 0.000 0.688 236 K N 0.195 120.286 120.400 -0.516 0.000 2.374 236 K HA 0.119 4.443 4.320 0.006 0.000 0.202 236 K C 1.260 177.799 176.600 -0.102 0.000 1.040 236 K CA 0.012 56.003 56.287 -0.492 0.000 1.085 236 K CB 0.905 33.125 32.500 -0.467 0.000 0.873 236 K HN 0.141 nan 8.250 nan 0.000 0.539 237 V N 1.049 120.910 119.914 -0.088 0.000 3.647 237 V HA -0.003 4.121 4.120 0.006 0.000 0.279 237 V C 1.477 177.588 176.094 0.029 0.000 1.314 237 V CA 0.568 62.875 62.300 0.012 0.000 1.125 237 V CB -0.216 31.594 31.823 -0.022 0.000 0.907 237 V HN 0.264 nan 8.190 nan 0.000 0.434 238 M N 0.895 120.481 119.600 -0.025 0.000 2.082 238 M HA -0.128 4.356 4.480 0.006 0.000 0.258 238 M C -0.198 176.195 176.300 0.155 0.000 1.069 238 M CA 2.646 57.890 55.300 -0.093 0.000 1.102 238 M CB -1.544 30.963 32.600 -0.156 0.000 1.336 238 M HN 0.269 nan 8.290 nan 0.000 0.404 239 P HA -0.185 nan 4.420 nan 0.000 0.215 239 P C 1.171 178.557 177.300 0.142 0.000 1.153 239 P CA 1.277 64.546 63.100 0.280 0.000 0.853 239 P CB -0.117 31.825 31.700 0.403 0.000 0.788 240 E N -0.314 119.979 120.200 0.155 0.000 2.077 240 E HA -0.155 4.199 4.350 0.006 0.000 0.193 240 E C 1.925 178.512 176.600 -0.021 0.000 0.989 240 E CA 0.814 57.204 56.400 -0.016 0.000 0.800 240 E CB -0.524 29.283 29.700 0.178 0.000 0.746 240 E HN 0.127 nan 8.360 nan 0.000 0.452 241 L N 0.176 121.413 121.223 0.023 0.000 2.012 241 L HA -0.247 4.097 4.340 0.006 0.000 0.210 241 L C 2.778 179.649 176.870 0.002 0.000 1.073 241 L CA 1.387 56.199 54.840 -0.046 0.000 0.748 241 L CB -0.373 41.709 42.059 0.039 0.000 0.891 241 L HN 0.285 nan 8.230 nan 0.000 0.431 242 M N -1.127 118.594 119.600 0.202 0.000 2.108 242 M HA -0.211 4.273 4.480 0.006 0.000 0.261 242 M C 2.285 178.720 176.300 0.226 0.000 1.066 242 M CA 1.472 56.962 55.300 0.317 0.000 1.107 242 M CB -0.447 32.359 32.600 0.343 0.000 1.356 242 M HN 0.097 nan 8.290 nan 0.000 0.406 243 V N 0.190 120.117 119.914 0.022 0.000 2.295 243 V HA -0.275 3.849 4.120 0.006 0.000 0.246 243 V C 2.295 178.408 176.094 0.032 0.000 1.049 243 V CA 1.784 64.053 62.300 -0.050 0.000 1.024 243 V CB -0.814 30.763 31.823 -0.410 0.000 0.648 243 V HN 0.515 nan 8.190 nan 0.000 0.447 244 Q N -1.073 118.722 119.800 -0.008 0.000 2.084 244 Q HA -0.218 4.126 4.340 0.006 0.000 0.202 244 Q C 2.343 178.323 176.000 -0.035 0.000 0.978 244 Q CA 1.673 57.451 55.803 -0.042 0.000 0.844 244 Q CB -0.272 28.406 28.738 -0.099 0.000 0.898 244 Q HN 0.700 nan 8.270 nan 0.000 0.426 245 H N 0.008 119.081 119.070 0.005 0.000 2.319 245 H HA -0.096 4.463 4.556 0.006 0.000 0.299 245 H C 2.047 177.436 175.328 0.101 0.000 1.092 245 H CA 1.552 57.554 56.048 -0.078 0.000 1.302 245 H CB -0.325 29.213 29.762 -0.373 0.000 1.373 245 H HN 0.327 nan 8.280 nan 0.000 0.497 246 A N 1.113 124.186 122.820 0.421 0.000 1.877 246 A HA -0.099 4.225 4.320 0.006 0.000 0.216 246 A C 2.798 180.463 177.584 0.136 0.000 1.186 246 A CA 1.171 53.401 52.037 0.322 0.000 0.620 246 A CB -0.888 18.228 19.000 0.194 0.000 0.822 246 A HN 0.277 nan 8.150 nan 0.000 0.443 247 L N -0.549 120.725 121.223 0.086 0.000 2.012 247 L HA -0.228 4.115 4.340 0.006 0.000 0.210 247 L C 2.550 179.456 176.870 0.061 0.000 1.073 247 L CA 1.931 56.791 54.840 0.032 0.000 0.748 247 L CB -0.737 41.284 42.059 -0.063 0.000 0.891 247 L HN 0.537 nan 8.230 nan 0.000 0.431 248 N N -0.409 118.308 118.700 0.029 0.000 2.244 248 N HA -0.147 4.597 4.740 0.006 0.000 0.183 248 N C 1.877 177.455 175.510 0.114 0.000 1.016 248 N CA 1.380 54.452 53.050 0.037 0.000 0.866 248 N CB 0.095 38.570 38.487 -0.020 0.000 0.980 248 N HN 0.115 nan 8.380 nan 0.000 0.430 249 S N -0.041 115.702 115.700 0.071 0.000 2.345 249 S HA -0.071 4.403 4.470 0.006 0.000 0.220 249 S C 1.800 176.493 174.600 0.155 0.000 1.031 249 S CA 0.915 59.122 58.200 0.012 0.000 0.996 249 S CB -0.324 62.678 63.200 -0.329 0.000 0.882 249 S HN 0.382 nan 8.310 nan 0.000 0.445 250 I N 0.894 121.552 120.570 0.146 0.000 2.439 250 I HA -0.046 4.127 4.170 0.006 0.000 0.251 250 I C 1.804 178.019 176.117 0.164 0.000 1.139 250 I CA 0.830 62.229 61.300 0.166 0.000 1.438 250 I CB -0.335 37.731 38.000 0.111 0.000 1.085 250 I HN 0.259 nan 8.210 nan 0.000 0.427 251 F N 0.644 120.617 119.950 0.038 0.000 2.069 251 F HA -0.299 4.232 4.527 0.006 0.000 0.298 251 F C 2.647 178.464 175.800 0.027 0.000 1.113 251 F CA 2.201 60.216 58.000 0.025 0.000 1.214 251 F CB -0.547 38.469 39.000 0.026 0.000 0.978 251 F HN 0.037 nan 8.300 nan 0.000 0.474 252 S N 0.791 116.653 115.700 0.270 0.000 2.353 252 S HA -0.245 4.228 4.470 0.006 0.000 0.222 252 S C 1.857 176.504 174.600 0.078 0.000 1.035 252 S CA 1.580 59.874 58.200 0.157 0.000 1.025 252 S CB -0.874 62.432 63.200 0.178 0.000 0.902 252 S HN 0.415 nan 8.310 nan 0.000 0.440 253 L N 1.969 123.269 121.223 0.129 0.000 2.046 253 L HA -0.074 4.269 4.340 0.006 0.000 0.208 253 L C 2.058 178.950 176.870 0.037 0.000 1.077 253 L CA 1.780 56.683 54.840 0.105 0.000 0.747 253 L CB -0.435 41.719 42.059 0.159 0.000 0.896 253 L HN 0.071 nan 8.230 nan 0.000 0.432 254 K N -0.914 119.486 120.400 -0.002 0.000 2.148 254 K HA -0.043 4.281 4.320 0.006 0.000 0.204 254 K C 2.029 178.604 176.600 -0.042 0.000 1.050 254 K CA 1.335 57.602 56.287 -0.033 0.000 0.942 254 K CB -0.456 32.005 32.500 -0.064 0.000 0.724 254 K HN 0.293 nan 8.250 nan 0.000 0.446 255 V N 0.148 119.982 119.914 -0.133 0.000 2.594 255 V HA -0.131 3.992 4.120 0.006 0.000 0.253 255 V C 1.634 177.770 176.094 0.070 0.000 1.069 255 V CA 1.910 64.164 62.300 -0.076 0.000 1.082 255 V CB -0.364 31.301 31.823 -0.263 0.000 0.680 255 V HN 0.663 nan 8.190 nan 0.000 0.469 256 G N -1.733 107.094 108.800 0.045 0.000 2.273 256 G HA2 -0.154 3.810 3.960 0.006 0.000 0.162 256 G HA3 -0.154 3.810 3.960 0.006 0.000 0.162 256 G C 0.080 175.017 174.900 0.063 0.000 1.006 256 G CA -0.190 44.949 45.100 0.065 0.000 0.704 256 G HN 0.298 nan 8.290 nan 0.000 0.487 257 M N 1.348 120.985 119.600 0.061 0.000 2.248 257 M HA 0.277 4.761 4.480 0.006 0.000 0.337 257 M C 0.735 177.068 176.300 0.056 0.000 1.121 257 M CA 0.429 55.769 55.300 0.067 0.000 1.155 257 M CB 0.544 33.191 32.600 0.078 0.000 1.514 257 M HN 0.061 nan 8.290 nan 0.000 0.452 258 K N 2.131 122.558 120.400 0.046 0.000 2.326 258 K HA 0.063 4.387 4.320 0.006 0.000 0.275 258 K C 0.689 177.299 176.600 0.018 0.000 1.018 258 K CA -0.180 56.121 56.287 0.024 0.000 0.962 258 K CB 0.800 33.317 32.500 0.028 0.000 0.953 258 K HN 0.537 nan 8.250 nan 0.000 0.475 259 K N 0.918 121.287 120.400 -0.052 0.000 2.103 259 K HA -0.170 4.154 4.320 0.006 0.000 0.207 259 K C 1.889 178.458 176.600 -0.052 0.000 1.048 259 K CA 2.009 58.212 56.287 -0.140 0.000 0.930 259 K CB -0.043 32.239 32.500 -0.364 0.000 0.716 259 K HN 0.686 nan 8.250 nan 0.000 0.444 260 S N 0.395 116.073 115.700 -0.037 0.000 2.547 260 S HA -0.022 4.452 4.470 0.006 0.000 0.235 260 S C 1.215 175.883 174.600 0.113 0.000 0.980 260 S CA 0.736 58.930 58.200 -0.009 0.000 0.941 260 S CB -0.020 63.168 63.200 -0.019 0.000 0.763 260 S HN 0.216 nan 8.310 nan 0.000 0.532 261 N N 0.645 119.403 118.700 0.096 0.000 2.205 261 N HA 0.359 5.103 4.740 0.006 0.000 0.201 261 N C -0.484 175.045 175.510 0.032 0.000 1.128 261 N CA 0.047 53.138 53.050 0.068 0.000 0.867 261 N CB 0.369 38.877 38.487 0.036 0.000 0.996 261 N HN 0.472 nan 8.380 nan 0.000 0.503 262 I N 1.453 122.084 120.570 0.102 0.000 2.301 262 I HA 0.172 4.346 4.170 0.006 0.000 0.292 262 I C -0.319 175.869 176.117 0.117 0.000 1.046 262 I CA -0.355 61.031 61.300 0.143 0.000 1.282 262 I CB 0.635 38.821 38.000 0.311 0.000 1.409 262 I HN -0.131 nan 8.210 nan 0.000 0.484 263 C N 7.183 126.484 119.300 0.002 0.000 2.281 263 C HA 0.501 4.965 4.460 0.006 0.000 0.325 263 C C 0.129 175.061 174.990 -0.096 0.000 1.282 263 C CA -0.828 58.163 59.018 -0.044 0.000 1.640 263 C CB 0.445 28.129 27.740 -0.093 0.000 2.288 263 C HN 0.472 nan 8.230 nan 0.000 0.507 264 L N 2.932 124.051 121.223 -0.172 0.000 2.319 264 L HA 0.290 4.634 4.340 0.006 0.000 0.280 264 L C 0.855 177.636 176.870 -0.149 0.000 1.099 264 L CA 0.763 55.420 54.840 -0.305 0.000 0.828 264 L CB 1.010 42.609 42.059 -0.767 0.000 1.150 264 L HN 0.750 nan 8.230 nan 0.000 0.442 265 S N 2.122 117.862 115.700 0.065 0.000 2.473 265 S HA 0.307 4.781 4.470 0.006 0.000 0.312 265 S C -0.069 174.671 174.600 0.233 0.000 1.087 265 S CA -0.392 57.893 58.200 0.142 0.000 1.077 265 S CB -0.169 63.203 63.200 0.285 0.000 1.065 265 S HN 0.654 nan 8.310 nan 0.000 0.510 266 T N 5.262 119.882 114.554 0.109 0.000 2.815 266 T HA 0.534 4.888 4.350 0.006 0.000 0.289 266 T C -0.887 173.901 174.700 0.148 0.000 1.000 266 T CA -0.479 61.720 62.100 0.164 0.000 0.958 266 T CB 0.486 69.377 68.868 0.039 0.000 0.944 266 T HN 0.349 nan 8.240 nan 0.000 0.442 267 V N 8.584 128.610 119.914 0.186 0.000 2.398 267 V HA 0.427 4.551 4.120 0.006 0.000 0.286 267 V C -2.138 174.067 176.094 0.185 0.000 1.026 267 V CA -2.181 60.207 62.300 0.147 0.000 0.868 267 V CB 1.343 33.238 31.823 0.120 0.000 0.982 267 V HN 0.752 nan 8.190 nan 0.000 0.443 268 P HA 0.136 nan 4.420 nan 0.000 0.264 268 P C -2.189 175.223 177.300 0.187 0.000 1.193 268 P CA -0.876 62.343 63.100 0.198 0.000 0.763 268 P CB 0.206 32.005 31.700 0.164 0.000 0.810 269 P HA -0.054 nan 4.420 nan 0.000 0.225 269 P C 0.364 177.868 177.300 0.340 0.000 1.156 269 P CA 1.215 64.430 63.100 0.192 0.000 0.787 269 P CB 0.175 31.939 31.700 0.106 0.000 0.802 270 T N -4.174 110.545 114.554 0.275 0.000 2.831 270 T HA 0.827 5.181 4.350 0.006 0.000 0.287 270 T C -1.048 173.753 174.700 0.167 0.000 1.070 270 T CA -0.951 61.292 62.100 0.239 0.000 1.010 270 T CB 2.176 71.080 68.868 0.060 0.000 1.264 270 T HN -0.039 nan 8.240 nan 0.000 0.532 271 A N 0.578 123.418 122.820 0.033 0.000 2.587 271 A HA 0.865 5.189 4.320 0.006 0.000 0.293 271 A C -3.179 174.367 177.584 -0.063 0.000 1.087 271 A CA -1.894 50.164 52.037 0.035 0.000 0.692 271 A CB 0.744 19.817 19.000 0.123 0.000 1.291 271 A HN 0.679 nan 8.150 nan 0.000 0.407 272 P HA 0.177 nan 4.420 nan 0.000 0.267 272 P C -1.890 175.363 177.300 -0.079 0.000 1.200 272 P CA -0.521 62.539 63.100 -0.066 0.000 0.772 272 P CB 0.142 31.818 31.700 -0.040 0.000 0.855 273 P HA 0.116 nan 4.420 nan 0.000 0.253 273 P C 0.071 177.281 177.300 -0.149 0.000 1.260 273 P CA 0.138 63.175 63.100 -0.105 0.000 0.800 273 P CB 0.075 31.720 31.700 -0.092 0.000 1.162 274 A N 2.769 125.467 122.820 -0.204 0.000 2.466 274 A HA 0.287 4.611 4.320 0.006 0.000 0.238 274 A C -1.842 175.646 177.584 -0.160 0.000 1.074 274 A CA -0.965 50.921 52.037 -0.251 0.000 0.774 274 A CB -0.804 17.985 19.000 -0.352 0.000 1.015 274 A HN 0.055 nan 8.150 nan 0.000 0.498 275 P HA 0.056 nan 4.420 nan 0.000 0.249 275 P C 0.728 178.022 177.300 -0.010 0.000 1.737 275 P CA 0.355 63.408 63.100 -0.078 0.000 1.128 275 P CB -0.098 31.537 31.700 -0.109 0.000 1.942 276 S N 2.330 118.025 115.700 -0.009 0.000 2.368 276 S HA -0.144 4.330 4.470 0.006 0.000 0.224 276 S C 1.822 176.467 174.600 0.074 0.000 1.029 276 S CA 0.761 58.975 58.200 0.023 0.000 0.988 276 S CB -0.713 62.501 63.200 0.025 0.000 0.838 276 S HN 0.081 nan 8.310 nan 0.000 0.462 277 M N 0.207 119.857 119.600 0.083 0.000 2.132 277 M HA 0.030 4.514 4.480 0.006 0.000 0.263 277 M C 2.154 178.524 176.300 0.117 0.000 1.065 277 M CA 1.407 56.764 55.300 0.094 0.000 1.122 277 M CB -1.362 31.288 32.600 0.084 0.000 1.365 277 M HN 0.436 nan 8.290 nan 0.000 0.411 278 Y N 1.206 121.512 120.300 0.010 0.000 2.181 278 Y HA -0.180 4.374 4.550 0.006 0.000 0.288 278 Y C 2.213 178.129 175.900 0.027 0.000 1.146 278 Y CA 1.616 59.723 58.100 0.012 0.000 1.164 278 Y CB -0.200 38.253 38.460 -0.011 0.000 0.982 278 Y HN 0.078 nan 8.280 nan 0.000 0.515 279 L N -0.656 120.670 121.223 0.171 0.000 2.072 279 L HA -0.171 4.173 4.340 0.006 0.000 0.205 279 L C 1.636 178.575 176.870 0.115 0.000 1.079 279 L CA 1.383 56.292 54.840 0.115 0.000 0.752 279 L CB -0.359 41.742 42.059 0.070 0.000 0.906 279 L HN 0.138 nan 8.230 nan 0.000 0.436 280 D N -0.651 119.823 120.400 0.123 0.000 2.271 280 D HA -0.065 4.579 4.640 0.006 0.000 0.206 280 D C 1.993 178.390 176.300 0.161 0.000 0.967 280 D CA 0.425 54.528 54.000 0.172 0.000 0.867 280 D CB 0.125 41.024 40.800 0.164 0.000 0.960 280 D HN 0.051 nan 8.370 nan 0.000 0.509 281 L N 1.199 122.471 121.223 0.082 0.000 2.046 281 L HA -0.030 4.314 4.340 0.006 0.000 0.208 281 L C -0.991 175.898 176.870 0.033 0.000 1.077 281 L CA 1.929 56.794 54.840 0.042 0.000 0.747 281 L CB -1.211 40.850 42.059 0.003 0.000 0.896 281 L HN -0.044 nan 8.230 nan 0.000 0.432 282 P HA -0.202 nan 4.420 nan 0.000 0.217 282 P C 1.223 178.584 177.300 0.101 0.000 1.150 282 P CA 1.283 64.404 63.100 0.035 0.000 0.832 282 P CB -0.233 31.479 31.700 0.019 0.000 0.787 283 Y N 1.117 121.449 120.300 0.053 0.000 2.145 283 Y HA -0.164 4.389 4.550 0.006 0.000 0.286 283 Y C 2.375 178.317 175.900 0.069 0.000 1.145 283 Y CA 1.554 59.703 58.100 0.082 0.000 1.148 283 Y CB -1.176 37.345 38.460 0.101 0.000 0.981 283 Y HN -0.120 nan 8.280 nan 0.000 0.507 284 A N -0.455 122.289 122.820 -0.125 0.000 1.908 284 A HA -0.183 4.141 4.320 0.006 0.000 0.218 284 A C 2.361 179.841 177.584 -0.174 0.000 1.181 284 A CA 2.333 54.250 52.037 -0.200 0.000 0.627 284 A CB -1.374 17.604 19.000 -0.037 0.000 0.818 284 A HN 0.358 nan 8.150 nan 0.000 0.445 285 V N -0.295 119.567 119.914 -0.088 0.000 2.307 285 V HA -0.205 3.919 4.120 0.006 0.000 0.245 285 V C 3.060 179.123 176.094 -0.051 0.000 1.045 285 V CA 1.825 64.094 62.300 -0.052 0.000 1.024 285 V CB -1.316 30.494 31.823 -0.022 0.000 0.651 285 V HN 0.628 nan 8.190 nan 0.000 0.449 286 A N -0.046 122.744 122.820 -0.051 0.000 1.883 286 A HA -0.246 4.078 4.320 0.006 0.000 0.217 286 A C 2.195 179.771 177.584 -0.014 0.000 1.186 286 A CA 2.303 54.336 52.037 -0.006 0.000 0.624 286 A CB -0.705 18.328 19.000 0.054 0.000 0.822 286 A HN 0.434 nan 8.150 nan 0.000 0.444 287 L N -0.493 120.628 121.223 -0.169 0.000 2.012 287 L HA -0.152 4.192 4.340 0.006 0.000 0.210 287 L C 2.502 179.394 176.870 0.037 0.000 1.073 287 L CA 2.192 56.953 54.840 -0.131 0.000 0.748 287 L CB -0.496 41.260 42.059 -0.505 0.000 0.891 287 L HN 0.350 nan 8.230 nan 0.000 0.431 288 R N -0.747 119.729 120.500 -0.041 0.000 2.148 288 R HA -0.085 4.259 4.340 0.006 0.000 0.223 288 R C 2.153 178.490 176.300 0.062 0.000 1.088 288 R CA 1.251 57.359 56.100 0.013 0.000 0.985 288 R CB -0.155 30.127 30.300 -0.030 0.000 0.880 288 R HN 0.506 nan 8.270 nan 0.000 0.451 289 E N -0.155 120.073 120.200 0.046 0.000 2.046 289 E HA -0.187 4.167 4.350 0.006 0.000 0.190 289 E C 1.763 178.395 176.600 0.053 0.000 0.982 289 E CA 1.143 57.567 56.400 0.040 0.000 0.800 289 E CB -0.030 29.685 29.700 0.024 0.000 0.756 289 E HN 0.114 nan 8.360 nan 0.000 0.449 290 M N -0.288 119.363 119.600 0.084 0.000 2.296 290 M HA -0.069 4.415 4.480 0.006 0.000 0.265 290 M C 0.564 176.782 176.300 -0.137 0.000 1.064 290 M CA 1.509 56.804 55.300 -0.008 0.000 1.109 290 M CB 0.205 32.825 32.600 0.034 0.000 1.396 290 M HN -0.041 nan 8.290 nan 0.000 0.430 291 F N 0.204 120.175 119.950 0.035 0.000 2.850 291 F HA 0.319 4.850 4.527 0.007 0.000 0.306 291 F C 0.326 176.227 175.800 0.170 0.000 1.162 291 F CA -0.698 57.375 58.000 0.121 0.000 1.327 291 F CB -0.343 38.655 39.000 -0.004 0.000 0.953 291 F HN -0.020 nan 8.300 nan 0.000 0.507 292 E N 0.074 120.376 120.200 0.170 0.000 2.502 292 E HA 0.248 4.602 4.350 0.006 0.000 0.261 292 E C 1.290 177.917 176.600 0.044 0.000 0.974 292 E CA 1.530 57.979 56.400 0.082 0.000 0.936 292 E CB 0.361 30.073 29.700 0.021 0.000 0.926 292 E HN 0.551 nan 8.360 nan 0.000 0.459 293 G N 2.289 111.076 108.800 -0.022 0.000 2.284 293 G HA2 -0.298 3.666 3.960 0.006 0.000 0.230 293 G HA3 -0.298 3.666 3.960 0.006 0.000 0.230 293 G C -0.319 174.463 174.900 -0.196 0.000 1.021 293 G CA 0.069 45.080 45.100 -0.149 0.000 0.619 293 G HN 0.490 nan 8.290 nan 0.000 0.510 294 Y N 1.621 121.934 120.300 0.023 0.000 2.326 294 Y HA 0.732 5.286 4.550 0.006 0.000 0.324 294 Y C 1.304 177.182 175.900 -0.037 0.000 1.291 294 Y CA -0.745 57.368 58.100 0.022 0.000 1.348 294 Y CB 0.553 39.078 38.460 0.109 0.000 1.294 294 Y HN 0.024 nan 8.280 nan 0.000 0.525 295 R N 1.541 122.114 120.500 0.122 0.000 2.500 295 R HA 0.365 4.709 4.340 0.006 0.000 0.275 295 R C -0.795 175.501 176.300 -0.008 0.000 1.051 295 R CA -0.463 55.641 56.100 0.007 0.000 1.088 295 R CB 0.676 30.991 30.300 0.024 0.000 1.063 295 R HN 0.586 nan 8.270 nan 0.000 0.511 296 M N 2.401 121.982 119.600 -0.033 0.000 2.167 296 M HA 0.289 4.773 4.480 0.006 0.000 0.333 296 M C 0.195 176.488 176.300 -0.012 0.000 1.030 296 M CA -0.506 54.758 55.300 -0.060 0.000 0.963 296 M CB 1.349 33.910 32.600 -0.064 0.000 1.589 296 M HN 0.207 nan 8.290 nan 0.000 0.431 297 R N 2.838 123.321 120.500 -0.030 0.000 2.280 297 R HA 0.627 4.971 4.340 0.006 0.000 0.326 297 R C -1.006 175.293 176.300 -0.001 0.000 1.080 297 R CA -0.041 56.062 56.100 0.004 0.000 1.002 297 R CB 0.488 30.770 30.300 -0.030 0.000 1.136 297 R HN 0.832 nan 8.270 nan 0.000 0.509 298 A N 3.417 126.247 122.820 0.018 0.000 2.388 298 A HA 0.291 4.614 4.320 0.006 0.000 0.257 298 A C -0.318 177.272 177.584 0.010 0.000 1.095 298 A CA -0.270 51.778 52.037 0.019 0.000 0.791 298 A CB 0.918 19.933 19.000 0.026 0.000 1.029 298 A HN 0.727 nan 8.150 nan 0.000 0.489 299 Q N 1.248 121.054 119.800 0.009 0.000 2.421 299 Q HA 0.690 5.034 4.340 0.006 0.000 0.280 299 Q C -1.006 174.984 176.000 -0.016 0.000 1.085 299 Q CA -0.313 55.474 55.803 -0.026 0.000 0.807 299 Q CB 1.363 30.068 28.738 -0.055 0.000 1.405 299 Q HN 0.737 nan 8.270 nan 0.000 0.419 300 M N 1.758 121.315 119.600 -0.072 0.000 2.368 300 M HA 0.392 4.875 4.480 0.006 0.000 0.311 300 M C 0.044 176.352 176.300 0.012 0.000 1.168 300 M CA -0.853 54.403 55.300 -0.074 0.000 1.044 300 M CB 0.846 33.227 32.600 -0.366 0.000 1.506 300 M HN 0.797 nan 8.290 nan 0.000 0.475 301 N N 0.387 119.170 118.700 0.138 0.000 2.412 301 N HA -0.021 4.722 4.740 0.006 0.000 0.258 301 N C 0.323 175.928 175.510 0.158 0.000 1.236 301 N CA 0.643 53.793 53.050 0.165 0.000 0.882 301 N CB 0.606 39.224 38.487 0.218 0.000 1.066 301 N HN 0.720 nan 8.380 nan 0.000 0.465 302 T N 0.262 114.852 114.554 0.061 0.000 2.954 302 T HA 0.120 4.474 4.350 0.006 0.000 0.252 302 T C 1.445 176.121 174.700 -0.040 0.000 0.983 302 T CA -0.250 61.865 62.100 0.024 0.000 0.941 302 T CB -0.152 68.712 68.868 -0.007 0.000 1.141 302 T HN 0.470 nan 8.240 nan 0.000 0.500 303 K N 0.507 120.837 120.400 -0.115 0.000 2.031 303 K HA 0.005 4.328 4.320 0.006 0.000 0.205 303 K C -0.231 176.167 176.600 -0.336 0.000 1.049 303 K CA 0.930 57.035 56.287 -0.304 0.000 0.939 303 K CB 0.021 32.204 32.500 -0.529 0.000 0.717 303 K HN 0.384 nan 8.250 nan 0.000 0.438 304 Y N 0.900 121.228 120.300 0.047 0.000 2.850 304 Y HA 0.334 4.888 4.550 0.006 0.000 0.360 304 Y C -0.088 175.819 175.900 0.011 0.000 1.174 304 Y CA -0.303 57.820 58.100 0.039 0.000 1.373 304 Y CB 0.315 38.810 38.460 0.058 0.000 1.487 304 Y HN 0.055 nan 8.280 nan 0.000 0.553 305 M N 0.326 119.980 119.600 0.089 0.000 2.531 305 M HA 0.489 4.972 4.480 0.006 0.000 0.286 305 M C -1.322 174.976 176.300 -0.004 0.000 1.232 305 M CA -0.275 55.038 55.300 0.022 0.000 0.877 305 M CB 2.547 35.147 32.600 0.001 0.000 1.726 305 M HN 0.212 nan 8.290 nan 0.000 0.463 306 E N 1.103 121.282 120.200 -0.036 0.000 2.489 306 E HA 0.611 4.965 4.350 0.006 0.000 0.201 306 E C -0.353 176.196 176.600 -0.086 0.000 0.752 306 E CA 0.026 56.398 56.400 -0.046 0.000 0.948 306 E CB 1.896 31.577 29.700 -0.031 0.000 1.871 306 E HN 0.802 nan 8.360 nan 0.000 0.383 307 A N 0.310 123.077 122.820 -0.089 0.000 2.251 307 A HA 0.066 4.390 4.320 0.006 0.000 0.209 307 A C 0.800 178.300 177.584 -0.140 0.000 1.187 307 A CA 0.321 52.283 52.037 -0.125 0.000 0.823 307 A CB 0.006 18.942 19.000 -0.106 0.000 0.846 307 A HN 0.128 nan 8.150 nan 0.000 0.486 308 S N 0.489 116.120 115.700 -0.115 0.000 2.439 308 S HA 0.275 4.749 4.470 0.006 0.000 0.282 308 S C 1.553 176.070 174.600 -0.139 0.000 1.170 308 S CA 0.216 58.352 58.200 -0.108 0.000 1.054 308 S CB 0.499 63.656 63.200 -0.072 0.000 0.956 308 S HN 0.589 nan 8.310 nan 0.000 0.490 309 T N 3.411 117.869 114.554 -0.160 0.000 2.867 309 T HA -0.110 4.244 4.350 0.006 0.000 0.268 309 T C 1.848 176.491 174.700 -0.096 0.000 1.057 309 T CA 0.727 62.724 62.100 -0.172 0.000 1.136 309 T CB -0.271 68.477 68.868 -0.200 0.000 0.874 309 T HN 0.654 nan 8.240 nan 0.000 0.466 310 R N 1.305 121.769 120.500 -0.060 0.000 2.080 310 R HA -0.144 4.199 4.340 0.006 0.000 0.236 310 R C 2.560 178.822 176.300 -0.064 0.000 1.137 310 R CA 1.966 58.043 56.100 -0.038 0.000 0.943 310 R CB -0.455 29.833 30.300 -0.020 0.000 0.846 310 R HN 0.659 nan 8.270 nan 0.000 0.431 311 E N -0.271 119.883 120.200 -0.077 0.000 2.085 311 E HA -0.204 4.150 4.350 0.006 0.000 0.194 311 E C 1.789 178.301 176.600 -0.147 0.000 0.994 311 E CA 1.303 57.651 56.400 -0.086 0.000 0.801 311 E CB -0.113 29.544 29.700 -0.072 0.000 0.743 311 E HN 0.497 nan 8.360 nan 0.000 0.453 312 A N 0.230 122.927 122.820 -0.205 0.000 1.902 312 A HA -0.163 4.161 4.320 0.006 0.000 0.217 312 A C 2.395 179.640 177.584 -0.565 0.000 1.181 312 A CA 1.996 53.788 52.037 -0.409 0.000 0.623 312 A CB -0.950 17.838 19.000 -0.352 0.000 0.818 312 A HN 0.321 nan 8.150 nan 0.000 0.443 313 T N -0.276 114.127 114.554 -0.251 0.000 2.684 313 T HA -0.129 4.225 4.350 0.006 0.000 0.267 313 T C 1.893 176.563 174.700 -0.050 0.000 1.036 313 T CA 1.659 63.707 62.100 -0.087 0.000 1.148 313 T CB -0.429 68.442 68.868 0.005 0.000 0.863 313 T HN 0.157 nan 8.240 nan 0.000 0.436 314 V N 1.393 121.270 119.914 -0.062 0.000 2.343 314 V HA -0.190 3.934 4.120 0.006 0.000 0.247 314 V C 2.783 178.868 176.094 -0.014 0.000 1.051 314 V CA 2.030 64.317 62.300 -0.022 0.000 1.036 314 V CB -1.126 30.683 31.823 -0.023 0.000 0.654 314 V HN 0.515 nan 8.190 nan 0.000 0.451 315 T N -1.215 113.300 114.554 -0.065 0.000 2.788 315 T HA -0.215 4.139 4.350 0.006 0.000 0.268 315 T C 1.659 176.413 174.700 0.090 0.000 1.044 315 T CA 1.834 63.926 62.100 -0.013 0.000 1.139 315 T CB -0.395 68.445 68.868 -0.046 0.000 0.867 315 T HN 0.674 nan 8.240 nan 0.000 0.454 316 H N -0.209 118.881 119.070 0.032 0.000 2.423 316 H HA 0.005 4.565 4.556 0.006 0.000 0.297 316 H C 2.303 177.654 175.328 0.038 0.000 1.075 316 H CA 0.684 56.753 56.048 0.035 0.000 1.342 316 H CB 0.025 29.805 29.762 0.030 0.000 1.395 316 H HN 0.145 nan 8.280 nan 0.000 0.530 317 V N 1.175 121.180 119.914 0.151 0.000 2.358 317 V HA -0.236 3.888 4.120 0.006 0.000 0.246 317 V C 2.378 178.521 176.094 0.082 0.000 1.047 317 V CA 1.363 63.722 62.300 0.098 0.000 1.035 317 V CB -0.433 31.431 31.823 0.069 0.000 0.658 317 V HN 0.385 nan 8.190 nan 0.000 0.452 318 L N 0.058 121.328 121.223 0.079 0.000 2.083 318 L HA -0.204 4.140 4.340 0.006 0.000 0.209 318 L C 2.274 179.194 176.870 0.083 0.000 1.083 318 L CA 2.012 56.894 54.840 0.071 0.000 0.752 318 L CB -0.892 41.205 42.059 0.063 0.000 0.899 318 L HN 0.460 nan 8.230 nan 0.000 0.433 319 N N 0.134 118.897 118.700 0.106 0.000 2.120 319 N HA -0.186 4.558 4.740 0.006 0.000 0.188 319 N C 1.946 177.502 175.510 0.075 0.000 1.024 319 N CA 0.896 54.006 53.050 0.101 0.000 0.852 319 N CB -0.144 38.413 38.487 0.115 0.000 1.003 319 N HN 0.235 nan 8.380 nan 0.000 0.424 320 L N 0.447 121.714 121.223 0.073 0.000 2.083 320 L HA -0.140 4.204 4.340 0.006 0.000 0.209 320 L C 2.265 179.165 176.870 0.050 0.000 1.083 320 L CA 0.507 55.381 54.840 0.057 0.000 0.752 320 L CB -0.301 41.794 42.059 0.060 0.000 0.899 320 L HN 0.247 nan 8.230 nan 0.000 0.433 321 L N -0.296 120.958 121.223 0.052 0.000 2.046 321 L HA -0.196 4.148 4.340 0.006 0.000 0.208 321 L C 2.372 179.267 176.870 0.040 0.000 1.077 321 L CA 1.671 56.537 54.840 0.042 0.000 0.747 321 L CB -0.429 41.655 42.059 0.042 0.000 0.896 321 L HN 0.076 nan 8.230 nan 0.000 0.432 322 I N -0.747 119.853 120.570 0.049 0.000 2.208 322 I HA -0.293 3.881 4.170 0.006 0.000 0.245 322 I C 2.482 178.620 176.117 0.034 0.000 1.097 322 I CA 1.487 62.815 61.300 0.046 0.000 1.363 322 I CB -1.316 36.723 38.000 0.065 0.000 1.051 322 I HN 0.285 nan 8.210 nan 0.000 0.413 323 S N 0.488 116.210 115.700 0.036 0.000 2.356 323 S HA -0.210 4.264 4.470 0.006 0.000 0.223 323 S C 1.984 176.596 174.600 0.021 0.000 1.032 323 S CA 1.494 59.709 58.200 0.026 0.000 1.005 323 S CB -0.159 63.061 63.200 0.032 0.000 0.867 323 S HN 0.264 nan 8.310 nan 0.000 0.449 324 K N 1.576 121.991 120.400 0.025 0.000 2.097 324 K HA 0.079 4.403 4.320 0.006 0.000 0.206 324 K C 1.680 178.288 176.600 0.013 0.000 1.049 324 K CA 1.150 57.449 56.287 0.020 0.000 0.933 324 K CB -0.480 32.034 32.500 0.023 0.000 0.717 324 K HN 0.315 nan 8.250 nan 0.000 0.442 325 L N 0.037 121.269 121.223 0.014 0.000 2.376 325 L HA -0.053 4.291 4.340 0.006 0.000 0.219 325 L C 1.693 178.564 176.870 0.002 0.000 1.133 325 L CA 1.258 56.103 54.840 0.009 0.000 0.816 325 L CB -0.484 41.583 42.059 0.013 0.000 0.933 325 L HN 0.463 nan 8.230 nan 0.000 0.449 326 T N -3.346 111.208 114.554 0.000 0.000 2.995 326 T HA 0.291 4.645 4.350 0.006 0.000 0.170 326 T C 0.313 175.006 174.700 -0.012 0.000 0.844 326 T CA -0.522 61.572 62.100 -0.010 0.000 1.137 326 T CB 0.899 69.755 68.868 -0.019 0.000 2.193 326 T HN 0.032 nan 8.240 nan 0.000 0.384 327 R N 0.058 120.548 120.500 -0.015 0.000 2.644 327 R HA 0.622 4.966 4.340 0.006 0.000 0.257 327 R C -2.371 173.922 176.300 -0.012 0.000 1.082 327 R CA -0.360 55.730 56.100 -0.016 0.000 0.927 327 R CB 1.813 32.096 30.300 -0.028 0.000 1.258 327 R HN 0.884 nan 8.270 nan 0.000 0.459 328 A N 2.975 125.796 122.820 0.002 0.000 2.375 328 A HA 0.327 4.650 4.320 0.006 0.000 0.295 328 A C -0.439 177.168 177.584 0.039 0.000 1.066 328 A CA -0.700 51.349 52.037 0.021 0.000 0.722 328 A CB 1.356 20.379 19.000 0.038 0.000 1.206 328 A HN 0.877 nan 8.150 nan 0.000 0.435 329 D N 1.531 121.958 120.400 0.044 0.000 2.183 329 D HA 0.073 4.717 4.640 0.006 0.000 0.205 329 D C 0.258 176.748 176.300 0.315 0.000 0.962 329 D CA 1.445 55.494 54.000 0.082 0.000 0.849 329 D CB 0.399 41.157 40.800 -0.070 0.000 0.978 329 D HN 0.583 nan 8.370 nan 0.000 0.488 330 I N 0.904 121.638 120.570 0.274 0.000 2.433 330 I HA 0.167 4.341 4.170 0.006 0.000 0.292 330 I C -0.478 175.736 176.117 0.163 0.000 1.001 330 I CA -0.749 60.719 61.300 0.280 0.000 1.119 330 I CB 2.192 40.350 38.000 0.262 0.000 1.289 330 I HN -0.291 nan 8.210 nan 0.000 0.438 331 Q N 4.653 124.542 119.800 0.148 0.000 2.381 331 Q HA 0.401 4.745 4.340 0.006 0.000 0.263 331 Q C -1.145 174.899 176.000 0.074 0.000 1.030 331 Q CA -0.247 55.609 55.803 0.088 0.000 0.772 331 Q CB 1.471 30.252 28.738 0.072 0.000 1.232 331 Q HN 0.668 nan 8.270 nan 0.000 0.476 332 S N 1.903 117.624 115.700 0.036 0.000 2.632 332 S HA 0.686 5.160 4.470 0.006 0.000 0.271 332 S C -0.256 174.311 174.600 -0.054 0.000 1.260 332 S CA -0.281 57.912 58.200 -0.012 0.000 1.010 332 S CB 0.979 64.147 63.200 -0.053 0.000 0.965 332 S HN 0.759 nan 8.310 nan 0.000 0.534 333 T N -0.643 113.865 114.554 -0.077 0.000 2.908 333 T HA 0.712 5.066 4.350 0.006 0.000 0.290 333 T C -0.780 173.833 174.700 -0.144 0.000 1.034 333 T CA -0.812 61.217 62.100 -0.119 0.000 1.010 333 T CB 0.709 69.541 68.868 -0.061 0.000 1.068 333 T HN 0.297 nan 8.240 nan 0.000 0.481 334 I N 2.917 123.343 120.570 -0.239 0.000 2.433 334 I HA 0.325 4.499 4.170 0.006 0.000 0.292 334 I C 1.047 177.142 176.117 -0.036 0.000 1.001 334 I CA -0.458 60.749 61.300 -0.154 0.000 1.119 334 I CB 1.850 39.736 38.000 -0.191 0.000 1.289 334 I HN 1.074 nan 8.210 nan 0.000 0.438 335 T N 4.062 118.627 114.554 0.018 0.000 2.916 335 T HA 0.218 4.572 4.350 0.006 0.000 0.303 335 T C -1.695 173.035 174.700 0.051 0.000 1.025 335 T CA -1.111 61.026 62.100 0.061 0.000 1.142 335 T CB 0.852 69.756 68.868 0.060 0.000 0.947 335 T HN 0.423 nan 8.240 nan 0.000 0.544 336 P HA -0.009 nan 4.420 nan 0.000 0.230 336 P C 0.750 177.870 177.300 -0.299 0.000 1.158 336 P CA 0.697 63.758 63.100 -0.066 0.000 0.769 336 P CB 0.027 31.701 31.700 -0.043 0.000 0.807 337 D N -0.985 119.128 120.400 -0.478 0.000 2.339 337 D HA -0.080 4.564 4.640 0.006 0.000 0.217 337 D C 1.562 177.638 176.300 -0.374 0.000 1.050 337 D CA 0.063 53.681 54.000 -0.636 0.000 0.856 337 D CB -0.646 39.510 40.800 -1.074 0.000 0.922 337 D HN 0.072 nan 8.370 nan 0.000 0.518 338 E N 1.055 121.125 120.200 -0.217 0.000 2.160 338 E HA -0.123 4.231 4.350 0.006 0.000 0.195 338 E C 1.717 178.235 176.600 -0.135 0.000 0.991 338 E CA 1.246 57.562 56.400 -0.140 0.000 0.810 338 E CB -0.289 29.373 29.700 -0.063 0.000 0.742 338 E HN 0.469 nan 8.360 nan 0.000 0.466 339 G N 0.082 108.797 108.800 -0.141 0.000 2.985 339 G HA2 -0.106 3.858 3.960 0.006 0.000 0.209 339 G HA3 -0.106 3.858 3.960 0.006 0.000 0.209 339 G C 1.498 176.313 174.900 -0.142 0.000 1.165 339 G CA 0.051 45.080 45.100 -0.117 0.000 0.776 339 G HN 0.114 nan 8.290 nan 0.000 0.541 340 R N -0.091 120.287 120.500 -0.203 0.000 2.350 340 R HA 0.145 4.489 4.340 0.006 0.000 0.199 340 R C 0.086 176.244 176.300 -0.236 0.000 0.876 340 R CA 0.431 56.394 56.100 -0.229 0.000 1.062 340 R CB 0.349 30.458 30.300 -0.318 0.000 1.263 340 R HN 0.472 nan 8.270 nan 0.000 0.641 341 N N -1.199 117.333 118.700 -0.280 0.000 3.046 341 N HA 0.058 4.802 4.740 0.006 0.000 0.243 341 N C -1.134 174.256 175.510 -0.200 0.000 1.452 341 N CA -0.735 52.169 53.050 -0.243 0.000 0.882 341 N CB 1.685 39.960 38.487 -0.354 0.000 1.425 341 N HN -0.230 nan 8.380 nan 0.000 0.517 342 V N 1.124 120.982 119.914 -0.093 0.000 2.599 342 V HA 0.150 4.274 4.120 0.006 0.000 0.300 342 V C -1.893 174.190 176.094 -0.019 0.000 1.034 342 V CA -0.495 61.776 62.300 -0.049 0.000 1.115 342 V CB 0.034 31.838 31.823 -0.031 0.000 0.934 342 V HN 0.610 nan 8.190 nan 0.000 0.485 343 P HA -0.022 nan 4.420 nan 0.000 0.262 343 P C -0.767 176.669 177.300 0.226 0.000 1.182 343 P CA 0.156 63.278 63.100 0.037 0.000 0.761 343 P CB 0.263 31.989 31.700 0.044 0.000 0.795 344 W N 2.735 124.049 121.300 0.023 0.000 2.436 344 W HA 0.192 4.858 4.660 0.009 0.000 0.347 344 W C 1.870 178.360 176.519 -0.048 0.000 1.136 344 W CA -0.368 56.931 57.345 -0.077 0.000 1.286 344 W CB -0.558 28.915 29.460 0.021 0.000 1.253 344 W HN 0.551 nan 8.180 nan 0.000 0.617 345 H N 1.806 120.974 119.070 0.163 0.000 2.267 345 H HA -0.236 4.324 4.556 0.006 0.000 0.291 345 H C 2.009 177.345 175.328 0.013 0.000 1.094 345 H CA 2.724 58.806 56.048 0.057 0.000 1.227 345 H CB -1.011 28.744 29.762 -0.011 0.000 1.351 345 H HN 0.535 nan 8.280 nan 0.000 0.483 346 I N -1.561 119.065 120.570 0.093 0.000 2.423 346 I HA -0.251 3.922 4.170 0.006 0.000 0.254 346 I C 1.792 177.776 176.117 -0.222 0.000 1.151 346 I CA 1.645 62.864 61.300 -0.135 0.000 1.421 346 I CB -0.596 37.244 38.000 -0.265 0.000 1.079 346 I HN -0.039 nan 8.210 nan 0.000 0.431 347 Y N 1.504 121.868 120.300 0.107 0.000 2.448 347 Y HA 0.057 4.610 4.550 0.006 0.000 0.289 347 Y C 2.248 178.166 175.900 0.031 0.000 1.114 347 Y CA 0.882 59.008 58.100 0.042 0.000 1.235 347 Y CB -0.846 37.606 38.460 -0.012 0.000 1.045 347 Y HN 0.207 nan 8.280 nan 0.000 0.554 348 N N 0.135 118.935 118.700 0.166 0.000 2.104 348 N HA -0.172 4.572 4.740 0.006 0.000 0.190 348 N C 1.425 176.963 175.510 0.047 0.000 1.024 348 N CA 1.476 54.587 53.050 0.102 0.000 0.853 348 N CB -0.302 38.247 38.487 0.105 0.000 1.008 348 N HN 0.121 nan 8.380 nan 0.000 0.424 349 I N 1.315 121.874 120.570 -0.018 0.000 2.353 349 I HA -0.143 4.031 4.170 0.006 0.000 0.248 349 I C 1.993 178.054 176.117 -0.095 0.000 1.119 349 I CA 1.033 62.235 61.300 -0.163 0.000 1.417 349 I CB -0.407 37.357 38.000 -0.393 0.000 1.078 349 I HN 0.184 nan 8.210 nan 0.000 0.421 350 E N 0.419 120.612 120.200 -0.012 0.000 2.058 350 E HA -0.263 4.091 4.350 0.006 0.000 0.194 350 E C 2.333 178.991 176.600 0.096 0.000 0.997 350 E CA 1.483 57.924 56.400 0.068 0.000 0.801 350 E CB -0.266 29.535 29.700 0.169 0.000 0.746 350 E HN 0.519 nan 8.360 nan 0.000 0.450 351 A N 0.864 123.746 122.820 0.102 0.000 1.902 351 A HA -0.199 4.125 4.320 0.006 0.000 0.217 351 A C 2.500 180.126 177.584 0.070 0.000 1.181 351 A CA 1.328 53.417 52.037 0.088 0.000 0.623 351 A CB -0.854 18.183 19.000 0.063 0.000 0.818 351 A HN 0.357 nan 8.150 nan 0.000 0.443 352 C N -0.421 118.919 119.300 0.067 0.000 2.432 352 C HA -0.095 4.369 4.460 0.006 0.000 0.277 352 C C 2.382 177.438 174.990 0.109 0.000 1.249 352 C CA 1.091 60.161 59.018 0.087 0.000 1.725 352 C CB -1.185 26.622 27.740 0.112 0.000 2.028 352 C HN 0.604 nan 8.230 nan 0.000 0.477 353 D N 0.322 120.794 120.400 0.120 0.000 2.117 353 D HA -0.090 4.553 4.640 0.006 0.000 0.197 353 D C 2.234 178.600 176.300 0.111 0.000 0.987 353 D CA 1.511 55.596 54.000 0.142 0.000 0.829 353 D CB -0.698 40.194 40.800 0.153 0.000 0.961 353 D HN 0.406 nan 8.370 nan 0.000 0.460 354 T N 0.624 115.239 114.554 0.102 0.000 2.746 354 T HA -0.118 4.236 4.350 0.006 0.000 0.267 354 T C 1.982 176.733 174.700 0.085 0.000 1.039 354 T CA 1.512 63.671 62.100 0.098 0.000 1.142 354 T CB -0.265 68.671 68.868 0.114 0.000 0.866 354 T HN 0.191 nan 8.240 nan 0.000 0.444 355 A N 1.549 124.414 122.820 0.076 0.000 1.877 355 A HA -0.130 4.194 4.320 0.006 0.000 0.216 355 A C 2.216 179.838 177.584 0.062 0.000 1.186 355 A CA 2.064 54.139 52.037 0.062 0.000 0.620 355 A CB -0.546 18.486 19.000 0.052 0.000 0.822 355 A HN 0.498 nan 8.150 nan 0.000 0.443 356 K N -0.589 119.852 120.400 0.068 0.000 2.026 356 K HA -0.225 4.099 4.320 0.006 0.000 0.208 356 K C 2.358 178.992 176.600 0.056 0.000 1.048 356 K CA 1.684 58.006 56.287 0.058 0.000 0.929 356 K CB -0.261 32.278 32.500 0.065 0.000 0.713 356 K HN 0.608 nan 8.250 nan 0.000 0.439 357 Q N -0.004 119.838 119.800 0.070 0.000 2.030 357 Q HA -0.212 4.131 4.340 0.006 0.000 0.204 357 Q C 1.927 177.961 176.000 0.056 0.000 0.986 357 Q CA 1.932 57.776 55.803 0.069 0.000 0.843 357 Q CB -0.250 28.538 28.738 0.083 0.000 0.904 357 Q HN 0.452 nan 8.270 nan 0.000 0.420 358 A N 0.641 123.496 122.820 0.058 0.000 1.877 358 A HA -0.149 4.175 4.320 0.006 0.000 0.216 358 A C 2.088 179.697 177.584 0.042 0.000 1.186 358 A CA 1.297 53.364 52.037 0.050 0.000 0.620 358 A CB -0.760 18.275 19.000 0.058 0.000 0.822 358 A HN 0.457 nan 8.150 nan 0.000 0.443 359 L N -0.359 120.891 121.223 0.045 0.000 2.046 359 L HA -0.172 4.172 4.340 0.006 0.000 0.208 359 L C 2.399 179.294 176.870 0.042 0.000 1.077 359 L CA 0.768 55.633 54.840 0.041 0.000 0.747 359 L CB -0.480 41.605 42.059 0.043 0.000 0.896 359 L HN 0.310 nan 8.230 nan 0.000 0.432 360 I N 0.235 120.831 120.570 0.044 0.000 2.252 360 I HA -0.153 4.021 4.170 0.006 0.000 0.245 360 I C 2.694 178.839 176.117 0.047 0.000 1.102 360 I CA 1.576 62.912 61.300 0.060 0.000 1.385 360 I CB -1.941 36.087 38.000 0.048 0.000 1.064 360 I HN 0.226 nan 8.210 nan 0.000 0.414 361 G N 0.513 109.325 108.800 0.021 0.000 2.475 361 G HA2 -0.255 3.709 3.960 0.006 0.000 0.220 361 G HA3 -0.255 3.709 3.960 0.006 0.000 0.220 361 G C 1.558 176.449 174.900 -0.015 0.000 1.125 361 G CA 0.488 45.583 45.100 -0.009 0.000 0.755 361 G HN 0.351 nan 8.290 nan 0.000 0.565 362 M N 0.542 120.146 119.600 0.007 0.000 2.453 362 M HA 0.183 4.667 4.480 0.006 0.000 0.239 362 M C 0.126 176.430 176.300 0.007 0.000 1.151 362 M CA -0.362 54.941 55.300 0.004 0.000 0.989 362 M CB 0.285 32.894 32.600 0.015 0.000 1.548 362 M HN 0.044 nan 8.290 nan 0.000 0.479 363 D N 0.784 121.194 120.400 0.017 0.000 2.586 363 D HA 0.097 4.741 4.640 0.006 0.000 0.234 363 D C 1.332 177.629 176.300 -0.005 0.000 1.132 363 D CA 1.973 55.993 54.000 0.034 0.000 0.860 363 D CB 0.433 41.287 40.800 0.089 0.000 1.159 363 D HN 0.509 nan 8.370 nan 0.000 0.490 364 G N 3.039 111.842 108.800 0.006 0.000 2.189 364 G HA2 -0.363 3.601 3.960 0.006 0.000 0.267 364 G HA3 -0.363 3.601 3.960 0.006 0.000 0.267 364 G C 1.005 175.898 174.900 -0.012 0.000 0.975 364 G CA 0.524 45.619 45.100 -0.008 0.000 0.644 364 G HN 0.586 nan 8.290 nan 0.000 0.537 365 L N 0.063 121.281 121.223 -0.009 0.000 2.051 365 L HA -0.010 4.334 4.340 0.006 0.000 0.214 365 L C 2.609 179.475 176.870 -0.005 0.000 1.076 365 L CA 2.863 57.698 54.840 -0.009 0.000 0.758 365 L CB -0.294 41.764 42.059 -0.002 0.000 0.890 365 L HN 0.347 nan 8.230 nan 0.000 0.433 366 M N -1.080 118.519 119.600 -0.002 0.000 2.686 366 M HA -0.042 4.442 4.480 0.006 0.000 0.246 366 M C 1.109 177.407 176.300 -0.004 0.000 1.096 366 M CA 0.618 55.917 55.300 -0.002 0.000 1.076 366 M CB -1.218 31.382 32.600 -0.000 0.000 1.504 366 M HN 0.211 nan 8.290 nan 0.000 0.524 367 D N -0.268 120.128 120.400 -0.006 0.000 2.348 367 D HA 0.100 4.744 4.640 0.006 0.000 0.211 367 D C 1.720 178.015 176.300 -0.008 0.000 0.998 367 D CA 0.747 54.742 54.000 -0.007 0.000 0.873 367 D CB 0.285 41.079 40.800 -0.009 0.000 0.925 367 D HN 0.360 nan 8.370 nan 0.000 0.524 368 M N -0.610 118.985 119.600 -0.009 0.000 2.304 368 M HA 0.161 4.644 4.480 0.006 0.000 0.281 368 M C -0.183 176.114 176.300 -0.005 0.000 1.014 368 M CA 0.172 55.467 55.300 -0.009 0.000 1.054 368 M CB 2.248 34.840 32.600 -0.013 0.000 1.551 368 M HN -0.319 nan 8.290 nan 0.000 0.548 369 V N 1.163 121.075 119.914 -0.003 0.000 2.962 369 V HA 0.471 4.595 4.120 0.006 0.000 0.313 369 V C -1.014 175.080 176.094 0.001 0.000 1.099 369 V CA -0.692 61.608 62.300 -0.000 0.000 0.971 369 V CB 2.398 34.222 31.823 0.002 0.000 1.028 369 V HN 0.360 nan 8.190 nan 0.000 0.430 370 Q N 2.732 122.533 119.800 0.002 0.000 2.462 370 Q HA 0.691 5.035 4.340 0.006 0.000 0.285 370 Q C -1.693 174.309 176.000 0.002 0.000 1.035 370 Q CA -1.001 54.803 55.803 0.001 0.000 0.799 370 Q CB 2.362 31.100 28.738 0.000 0.000 1.452 370 Q HN 0.543 nan 8.270 nan 0.000 0.404 371 L N 1.351 122.574 121.223 0.000 0.000 2.426 371 L HA 0.256 4.600 4.340 0.006 0.000 0.271 371 L C 0.192 177.062 176.870 -0.000 0.000 1.169 371 L CA -0.225 54.614 54.840 -0.001 0.000 0.836 371 L CB 0.356 42.413 42.059 -0.005 0.000 1.112 371 L HN 0.626 nan 8.230 nan 0.000 0.465 372 K N 2.327 122.727 120.400 0.000 0.000 2.187 372 K HA 0.043 4.367 4.320 0.006 0.000 0.242 372 K C 0.899 177.498 176.600 -0.002 0.000 1.179 372 K CA -0.227 56.061 56.287 0.002 0.000 1.097 372 K CB 0.293 32.797 32.500 0.007 0.000 1.634 372 K HN 0.295 nan 8.250 nan 0.000 0.335 373 R N 1.287 121.787 120.500 -0.001 0.000 2.189 373 R HA -0.070 4.274 4.340 0.006 0.000 0.223 373 R C -0.056 176.245 176.300 0.002 0.000 1.092 373 R CA 1.354 57.453 56.100 -0.002 0.000 0.989 373 R CB 0.231 30.531 30.300 -0.000 0.000 0.876 373 R HN 0.315 nan 8.270 nan 0.000 0.457 374 E N -0.283 119.920 120.200 0.004 0.000 2.179 374 E HA 0.546 4.900 4.350 0.006 0.000 0.275 374 E C 0.237 176.843 176.600 0.009 0.000 0.945 374 E CA 0.069 56.473 56.400 0.007 0.000 0.792 374 E CB 1.448 31.152 29.700 0.008 0.000 1.125 374 E HN 0.336 nan 8.360 nan 0.000 0.397 375 G N 0.395 109.203 108.800 0.012 0.000 2.306 375 G HA2 -0.220 3.744 3.960 0.006 0.000 0.262 375 G HA3 -0.220 3.744 3.960 0.006 0.000 0.262 375 G C 0.433 175.342 174.900 0.014 0.000 1.263 375 G CA -0.333 44.777 45.100 0.017 0.000 1.088 375 G HN 0.391 nan 8.290 nan 0.000 0.489 376 V N 0.344 120.269 119.914 0.018 0.000 2.392 376 V HA -0.083 4.041 4.120 0.006 0.000 0.249 376 V C 2.885 178.959 176.094 -0.034 0.000 1.059 376 V CA 3.285 65.592 62.300 0.011 0.000 1.051 376 V CB -0.493 31.356 31.823 0.044 0.000 0.658 376 V HN 1.226 nan 8.190 nan 0.000 0.455 377 L N 1.338 122.526 121.223 -0.059 0.000 1.990 377 L HA -0.033 4.311 4.340 0.006 0.000 0.213 377 L C 2.404 179.261 176.870 -0.022 0.000 1.072 377 L CA 2.830 57.630 54.840 -0.067 0.000 0.755 377 L CB -1.545 40.479 42.059 -0.058 0.000 0.889 377 L HN 0.313 nan 8.230 nan 0.000 0.432 378 G N -1.284 107.512 108.800 -0.006 0.000 2.418 378 G HA2 -0.272 3.691 3.960 0.006 0.000 0.217 378 G HA3 -0.272 3.691 3.960 0.006 0.000 0.217 378 G C 1.258 176.170 174.900 0.020 0.000 1.158 378 G CA 0.875 45.980 45.100 0.009 0.000 0.771 378 G HN 0.468 nan 8.290 nan 0.000 0.545 379 D N 0.323 120.736 120.400 0.021 0.000 2.097 379 D HA -0.074 4.570 4.640 0.006 0.000 0.195 379 D C 2.759 179.085 176.300 0.045 0.000 0.989 379 D CA 1.569 55.589 54.000 0.033 0.000 0.827 379 D CB -0.725 40.097 40.800 0.035 0.000 0.966 379 D HN 0.225 nan 8.370 nan 0.000 0.456 380 T N 0.710 115.288 114.554 0.040 0.000 2.746 380 T HA -0.091 4.263 4.350 0.006 0.000 0.267 380 T C 2.283 177.032 174.700 0.082 0.000 1.039 380 T CA 0.719 62.858 62.100 0.064 0.000 1.142 380 T CB -0.414 68.478 68.868 0.039 0.000 0.866 380 T HN -0.045 nan 8.240 nan 0.000 0.444 381 V N 1.798 121.747 119.914 0.059 0.000 2.282 381 V HA -0.247 3.877 4.120 0.006 0.000 0.249 381 V C 2.668 178.809 176.094 0.078 0.000 1.057 381 V CA 2.046 64.387 62.300 0.069 0.000 1.032 381 V CB -0.585 31.262 31.823 0.040 0.000 0.645 381 V HN 0.299 nan 8.190 nan 0.000 0.447 382 R N 0.563 121.099 120.500 0.061 0.000 2.073 382 R HA -0.190 4.154 4.340 0.006 0.000 0.234 382 R C 2.292 178.635 176.300 0.073 0.000 1.134 382 R CA 2.227 58.363 56.100 0.059 0.000 0.952 382 R CB -0.715 29.611 30.300 0.044 0.000 0.850 382 R HN 0.648 nan 8.270 nan 0.000 0.433 383 E N -0.014 120.233 120.200 0.079 0.000 2.085 383 E HA -0.206 4.148 4.350 0.006 0.000 0.194 383 E C 1.898 178.568 176.600 0.117 0.000 0.994 383 E CA 1.597 58.049 56.400 0.087 0.000 0.801 383 E CB -0.126 29.630 29.700 0.093 0.000 0.743 383 E HN 0.428 nan 8.360 nan 0.000 0.453 384 L N 0.384 121.700 121.223 0.154 0.000 2.046 384 L HA -0.191 4.153 4.340 0.006 0.000 0.208 384 L C 2.626 179.608 176.870 0.186 0.000 1.077 384 L CA 1.366 56.331 54.840 0.209 0.000 0.747 384 L CB -0.316 41.901 42.059 0.264 0.000 0.896 384 L HN 0.047 nan 8.230 nan 0.000 0.432 385 K N 0.037 120.524 120.400 0.145 0.000 2.057 385 K HA -0.190 4.134 4.320 0.006 0.000 0.207 385 K C 2.020 178.687 176.600 0.112 0.000 1.049 385 K CA 1.450 57.810 56.287 0.123 0.000 0.931 385 K CB -0.093 32.459 32.500 0.087 0.000 0.714 385 K HN 0.351 nan 8.250 nan 0.000 0.440 386 E N 0.372 120.631 120.200 0.098 0.000 2.072 386 E HA -0.160 4.194 4.350 0.006 0.000 0.191 386 E C 2.094 178.762 176.600 0.113 0.000 0.985 386 E CA 0.940 57.392 56.400 0.087 0.000 0.801 386 E CB 0.030 29.767 29.700 0.062 0.000 0.750 386 E HN 0.221 nan 8.360 nan 0.000 0.452 387 R N 0.487 121.064 120.500 0.128 0.000 2.081 387 R HA -0.114 4.229 4.340 0.006 0.000 0.235 387 R C 2.362 178.811 176.300 0.249 0.000 1.131 387 R CA 1.216 57.428 56.100 0.186 0.000 0.960 387 R CB -0.293 30.092 30.300 0.142 0.000 0.856 387 R HN 0.104 nan 8.270 nan 0.000 0.436 388 A N 0.573 123.513 122.820 0.201 0.000 1.898 388 A HA -0.092 4.231 4.320 0.006 0.000 0.216 388 A C 2.346 180.014 177.584 0.140 0.000 1.181 388 A CA 1.212 53.350 52.037 0.169 0.000 0.620 388 A CB -0.467 18.631 19.000 0.164 0.000 0.819 388 A HN 0.113 nan 8.150 nan 0.000 0.442 389 V N 0.242 120.232 119.914 0.126 0.000 2.343 389 V HA -0.265 3.859 4.120 0.006 0.000 0.247 389 V C 2.564 178.737 176.094 0.131 0.000 1.051 389 V CA 1.974 64.337 62.300 0.105 0.000 1.036 389 V CB -0.748 31.123 31.823 0.080 0.000 0.654 389 V HN 0.577 nan 8.190 nan 0.000 0.451 390 L N -1.370 119.953 121.223 0.168 0.000 2.083 390 L HA -0.212 4.132 4.340 0.006 0.000 0.209 390 L C 2.332 179.345 176.870 0.239 0.000 1.083 390 L CA 1.862 56.831 54.840 0.214 0.000 0.752 390 L CB -0.582 41.637 42.059 0.268 0.000 0.899 390 L HN 0.311 nan 8.230 nan 0.000 0.433 391 F N -0.166 119.716 119.950 -0.112 0.000 2.102 391 F HA -0.298 4.232 4.527 0.006 0.000 0.298 391 F C 2.656 178.357 175.800 -0.166 0.000 1.105 391 F CA 0.997 58.651 58.000 -0.576 0.000 1.239 391 F CB 0.113 38.628 39.000 -0.809 0.000 0.991 391 F HN 0.003 nan 8.300 nan 0.000 0.474 392 M N 0.189 119.917 119.600 0.212 0.000 2.108 392 M HA -0.227 4.257 4.480 0.006 0.000 0.261 392 M C 1.940 178.335 176.300 0.160 0.000 1.066 392 M CA 1.667 57.065 55.300 0.163 0.000 1.107 392 M CB -1.316 31.343 32.600 0.099 0.000 1.356 392 M HN 0.259 nan 8.290 nan 0.000 0.406 393 E N -0.214 120.071 120.200 0.143 0.000 2.110 393 E HA -0.209 4.145 4.350 0.006 0.000 0.193 393 E C 2.000 178.686 176.600 0.143 0.000 0.988 393 E CA 1.010 57.482 56.400 0.120 0.000 0.804 393 E CB -0.125 29.636 29.700 0.101 0.000 0.745 393 E HN 0.560 nan 8.360 nan 0.000 0.458 394 E N 0.660 120.972 120.200 0.186 0.000 2.106 394 E HA -0.157 4.197 4.350 0.006 0.000 0.192 394 E C 2.121 178.921 176.600 0.333 0.000 0.984 394 E CA 0.532 57.072 56.400 0.233 0.000 0.806 394 E CB 0.037 29.855 29.700 0.197 0.000 0.750 394 E HN 0.225 nan 8.360 nan 0.000 0.458 395 I N 0.925 121.699 120.570 0.341 0.000 2.208 395 I HA -0.307 3.867 4.170 0.006 0.000 0.245 395 I C 2.304 178.494 176.117 0.122 0.000 1.097 395 I CA 1.015 62.460 61.300 0.242 0.000 1.363 395 I CB -0.205 37.957 38.000 0.271 0.000 1.051 395 I HN 0.185 nan 8.210 nan 0.000 0.413 396 I N 0.446 121.087 120.570 0.118 0.000 2.252 396 I HA -0.275 3.899 4.170 0.006 0.000 0.245 396 I C 2.668 178.821 176.117 0.060 0.000 1.102 396 I CA 1.387 62.729 61.300 0.071 0.000 1.385 396 I CB -0.462 37.576 38.000 0.063 0.000 1.064 396 I HN 0.320 nan 8.210 nan 0.000 0.414 397 E N 1.853 122.103 120.200 0.084 0.000 2.085 397 E HA -0.262 4.092 4.350 0.006 0.000 0.194 397 E C 2.116 178.755 176.600 0.065 0.000 0.994 397 E CA 1.543 57.988 56.400 0.074 0.000 0.801 397 E CB -0.057 29.697 29.700 0.090 0.000 0.743 397 E HN 0.472 nan 8.360 nan 0.000 0.453 398 A N -0.090 122.776 122.820 0.078 0.000 2.209 398 A HA 0.156 4.479 4.320 0.006 0.000 0.212 398 A C 1.717 179.284 177.584 -0.029 0.000 1.158 398 A CA 1.163 53.211 52.037 0.019 0.000 0.742 398 A CB -0.385 18.573 19.000 -0.070 0.000 0.790 398 A HN 0.584 nan 8.150 nan 0.000 0.472 399 G N -3.276 105.518 108.800 -0.012 0.000 2.154 399 G HA2 0.378 4.341 3.960 0.006 0.000 0.186 399 G HA3 0.378 4.341 3.960 0.006 0.000 0.186 399 G C 1.082 175.963 174.900 -0.033 0.000 1.000 399 G CA 0.281 45.370 45.100 -0.019 0.000 0.664 399 G HN 2.389 nan 8.290 nan 0.000 0.513 400 G N -1.898 106.882 108.800 -0.033 0.000 2.434 400 G HA2 0.245 4.208 3.960 0.006 0.000 0.671 400 G HA3 0.245 4.208 3.960 0.006 0.000 0.671 400 G C 0.134 175.013 174.900 -0.036 0.000 1.280 400 G CA 0.331 45.409 45.100 -0.038 0.000 0.975 400 G HN 1.398 nan 8.290 nan 0.000 0.510 401 Y N 0.149 120.344 120.300 -0.176 0.000 2.200 401 Y HA 0.106 4.660 4.550 0.006 0.000 0.290 401 Y C 2.727 178.629 175.900 0.003 0.000 1.137 401 Y CA 2.782 60.808 58.100 -0.123 0.000 1.163 401 Y CB -0.240 38.045 38.460 -0.292 0.000 0.988 401 Y HN 0.437 nan 8.280 nan 0.000 0.518 402 F N 0.714 120.575 119.950 -0.149 0.000 2.134 402 F HA -0.224 4.307 4.527 0.006 0.000 0.299 402 F C 2.174 177.828 175.800 -0.243 0.000 1.097 402 F CA 1.299 59.175 58.000 -0.207 0.000 1.264 402 F CB -1.369 37.572 39.000 -0.099 0.000 1.001 402 F HN 0.159 nan 8.300 nan 0.000 0.479 403 N N 0.270 118.956 118.700 -0.024 0.000 2.142 403 N HA -0.104 4.640 4.740 0.006 0.000 0.186 403 N C 2.067 177.381 175.510 -0.327 0.000 1.023 403 N CA 1.371 54.341 53.050 -0.134 0.000 0.852 403 N CB -0.746 37.673 38.487 -0.113 0.000 0.998 403 N HN 0.212 nan 8.380 nan 0.000 0.424 404 A N 0.620 123.173 122.820 -0.445 0.000 1.908 404 A HA -0.109 4.215 4.320 0.006 0.000 0.218 404 A C 2.470 179.785 177.584 -0.448 0.000 1.181 404 A CA 1.493 53.027 52.037 -0.838 0.000 0.627 404 A CB -0.841 17.878 19.000 -0.468 0.000 0.818 404 A HN 0.110 nan 8.150 nan 0.000 0.445 405 V N 0.041 119.802 119.914 -0.254 0.000 2.307 405 V HA -0.247 3.877 4.120 0.006 0.000 0.245 405 V C 2.398 178.441 176.094 -0.085 0.000 1.045 405 V CA 2.161 64.394 62.300 -0.112 0.000 1.024 405 V CB -0.833 30.806 31.823 -0.306 0.000 0.651 405 V HN 0.611 nan 8.190 nan 0.000 0.449 406 E N -0.144 119.980 120.200 -0.127 0.000 2.160 406 E HA -0.254 4.100 4.350 0.006 0.000 0.195 406 E C 1.994 178.560 176.600 -0.058 0.000 0.991 406 E CA 1.118 57.466 56.400 -0.088 0.000 0.810 406 E CB -0.101 29.547 29.700 -0.087 0.000 0.742 406 E HN 0.682 nan 8.360 nan 0.000 0.466 407 Q N -0.667 119.073 119.800 -0.100 0.000 2.322 407 Q HA 0.104 4.448 4.340 0.006 0.000 0.203 407 Q C 0.702 176.809 176.000 0.178 0.000 0.923 407 Q CA 0.311 56.116 55.803 0.004 0.000 0.949 407 Q CB 0.808 29.516 28.738 -0.050 0.000 1.039 407 Q HN 0.338 nan 8.270 nan 0.000 0.496 408 G N 0.546 109.430 108.800 0.140 0.000 2.198 408 G HA2 -0.271 3.693 3.960 0.006 0.000 0.260 408 G HA3 -0.271 3.693 3.960 0.006 0.000 0.260 408 G C 0.280 175.356 174.900 0.293 0.000 1.025 408 G CA 0.039 45.249 45.100 0.185 0.000 0.769 408 G HN 0.360 nan 8.290 nan 0.000 0.507 409 F N -0.515 119.416 119.950 -0.031 0.000 2.269 409 F HA 0.278 4.809 4.527 0.006 0.000 0.301 409 F C 1.586 177.253 175.800 -0.222 0.000 1.082 409 F CA 0.078 57.966 58.000 -0.186 0.000 1.360 409 F CB -0.413 38.398 39.000 -0.315 0.000 1.041 409 F HN 0.240 nan 8.300 nan 0.000 0.512 410 F N -1.673 118.447 119.950 0.284 0.000 2.432 410 F HA 0.436 4.966 4.527 0.006 0.000 0.329 410 F C 1.064 176.928 175.800 0.107 0.000 1.076 410 F CA -1.082 57.035 58.000 0.195 0.000 1.018 410 F CB 0.996 40.049 39.000 0.089 0.000 1.201 410 F HN -0.402 nan 8.300 nan 0.000 0.489 411 V N -0.215 119.880 119.914 0.301 0.000 3.774 411 V HA -0.298 3.826 4.120 0.006 0.000 0.216 411 V C -0.180 175.990 176.094 0.127 0.000 0.441 411 V CA 1.032 63.446 62.300 0.191 0.000 0.985 411 V CB -2.393 29.514 31.823 0.140 0.000 1.085 411 V HN 0.963 nan 8.190 nan 0.000 1.240 412 D N 0.721 121.192 120.400 0.120 0.000 2.255 412 D HA 0.357 5.000 4.640 0.006 0.000 0.249 412 D C 1.351 177.678 176.300 0.046 0.000 1.078 412 D CA 0.491 54.529 54.000 0.062 0.000 0.896 412 D CB 1.941 42.759 40.800 0.030 0.000 1.194 412 D HN 0.496 nan 8.370 nan 0.000 0.429 413 S N 1.900 117.608 115.700 0.013 0.000 2.561 413 S HA 0.105 4.579 4.470 0.006 0.000 0.225 413 S C 1.104 175.688 174.600 -0.026 0.000 0.977 413 S CA -0.146 58.044 58.200 -0.016 0.000 0.926 413 S CB 0.029 63.212 63.200 -0.029 0.000 0.769 413 S HN 0.466 nan 8.310 nan 0.000 0.533 414 G N 0.505 109.302 108.800 -0.004 0.000 2.606 414 G HA2 0.313 4.276 3.960 0.006 0.000 0.252 414 G HA3 0.313 4.276 3.960 0.006 0.000 0.252 414 G C -0.918 174.039 174.900 0.095 0.000 1.206 414 G CA -0.577 44.529 45.100 0.010 0.000 0.861 414 G HN 0.344 nan 8.290 nan 0.000 0.561 415 Y N 1.801 122.067 120.300 -0.057 0.000 2.650 415 Y HA 0.288 4.842 4.550 0.006 0.000 0.343 415 Y C 0.098 175.991 175.900 -0.012 0.000 1.078 415 Y CA -2.254 55.837 58.100 -0.014 0.000 1.356 415 Y CB -0.800 37.654 38.460 -0.010 0.000 1.204 415 Y HN 0.456 nan 8.280 nan 0.000 0.508 416 Y N 8.769 129.071 120.300 0.003 0.000 2.987 416 Y HA -0.017 4.537 4.550 0.006 0.000 0.339 416 Y C -1.207 174.509 175.900 -0.307 0.000 1.272 416 Y CA -0.676 57.306 58.100 -0.197 0.000 1.562 416 Y CB 0.809 39.172 38.460 -0.163 0.000 1.253 416 Y HN 0.502 nan 8.280 nan 0.000 0.604 417 P HA -0.084 nan 4.420 nan 0.000 0.249 417 P C -0.410 176.357 177.300 -0.888 0.000 1.229 417 P CA 0.398 62.447 63.100 -1.752 0.000 0.788 417 P CB -0.047 30.968 31.700 -1.141 0.000 1.072 418 E N 1.629 121.532 120.200 -0.496 0.000 2.465 418 E HA -0.010 4.343 4.350 0.006 0.000 0.260 418 E C -0.241 176.205 176.600 -0.257 0.000 0.980 418 E CA -0.171 56.057 56.400 -0.287 0.000 0.927 418 E CB 0.395 30.013 29.700 -0.136 0.000 0.934 418 E HN -0.024 nan 8.360 nan 0.000 0.459 419 R N 4.319 124.682 120.500 -0.228 0.000 2.451 419 R HA 0.209 4.553 4.340 0.006 0.000 0.307 419 R C -0.231 176.002 176.300 -0.113 0.000 0.965 419 R CA -0.601 55.391 56.100 -0.181 0.000 0.865 419 R CB 0.654 30.803 30.300 -0.252 0.000 1.174 419 R HN 0.539 nan 8.270 nan 0.000 0.455 420 N N 2.341 120.998 118.700 -0.071 0.000 2.422 420 N HA 0.077 4.821 4.740 0.006 0.000 0.181 420 N C 0.822 176.310 175.510 -0.035 0.000 1.080 420 N CA 1.076 54.098 53.050 -0.046 0.000 0.893 420 N CB 0.757 39.226 38.487 -0.030 0.000 0.973 420 N HN 0.929 nan 8.380 nan 0.000 0.456 421 G N 1.457 110.236 108.800 -0.035 0.000 2.141 421 G HA2 -0.237 3.726 3.960 0.006 0.000 0.242 421 G HA3 -0.237 3.726 3.960 0.006 0.000 0.242 421 G C -0.079 174.821 174.900 0.000 0.000 0.982 421 G CA 0.477 45.567 45.100 -0.018 0.000 0.662 421 G HN 0.509 nan 8.290 nan 0.000 0.527 422 D N 0.198 120.600 120.400 0.004 0.000 2.501 422 D HA 0.455 5.099 4.640 0.006 0.000 0.226 422 D C 1.279 177.596 176.300 0.028 0.000 1.198 422 D CA 0.311 54.318 54.000 0.013 0.000 0.830 422 D CB -0.172 40.633 40.800 0.007 0.000 1.014 422 D HN 0.640 nan 8.370 nan 0.000 0.496 423 G N 0.288 109.113 108.800 0.041 0.000 2.651 423 G HA2 0.403 4.367 3.960 0.006 0.000 0.260 423 G HA3 0.403 4.367 3.960 0.006 0.000 0.260 423 G C -0.073 174.862 174.900 0.059 0.000 1.216 423 G CA -0.629 44.512 45.100 0.068 0.000 0.913 423 G HN 0.179 nan 8.290 nan 0.000 0.535 424 I N 1.348 121.956 120.570 0.064 0.000 2.297 424 I HA 0.326 4.500 4.170 0.006 0.000 0.291 424 I C 0.656 176.788 176.117 0.025 0.000 1.033 424 I CA -0.646 60.668 61.300 0.024 0.000 1.253 424 I CB 0.511 38.501 38.000 -0.017 0.000 1.396 424 I HN 0.424 nan 8.210 nan 0.000 0.476 425 A N 8.429 131.257 122.820 0.013 0.000 2.260 425 A HA 0.644 4.968 4.320 0.006 0.000 0.308 425 A C 0.142 177.705 177.584 -0.034 0.000 1.254 425 A CA -0.672 51.365 52.037 0.001 0.000 0.874 425 A CB 0.504 19.508 19.000 0.007 0.000 1.153 425 A HN 0.559 nan 8.150 nan 0.000 0.527 426 R N 1.861 122.326 120.500 -0.059 0.000 2.598 426 R HA 0.509 4.853 4.340 0.006 0.000 0.279 426 R C -0.883 175.361 176.300 -0.094 0.000 0.984 426 R CA -0.639 55.412 56.100 -0.082 0.000 0.999 426 R CB 0.983 31.219 30.300 -0.106 0.000 1.114 426 R HN 0.760 nan 8.270 nan 0.000 0.493 427 Q N 1.015 120.757 119.800 -0.096 0.000 2.256 427 Q HA 0.306 4.650 4.340 0.006 0.000 0.257 427 Q C 1.177 177.088 176.000 -0.149 0.000 0.936 427 Q CA -0.228 55.513 55.803 -0.104 0.000 0.903 427 Q CB 1.969 30.660 28.738 -0.078 0.000 1.263 427 Q HN 0.623 nan 8.270 nan 0.000 0.440 428 I N 2.107 122.571 120.570 -0.177 0.000 2.315 428 I HA -0.339 3.835 4.170 0.006 0.000 0.251 428 I C 0.027 176.014 176.117 -0.217 0.000 1.125 428 I CA 1.567 62.705 61.300 -0.270 0.000 1.392 428 I CB 0.277 38.140 38.000 -0.228 0.000 1.065 428 I HN 0.712 nan 8.210 nan 0.000 0.424 429 N N 0.170 118.786 118.700 -0.141 0.000 2.389 429 N HA 0.272 5.016 4.740 0.006 0.000 0.260 429 N C -0.076 175.380 175.510 -0.090 0.000 1.191 429 N CA 0.036 53.020 53.050 -0.111 0.000 0.885 429 N CB 0.963 39.399 38.487 -0.085 0.000 1.162 429 N HN 0.344 nan 8.380 nan 0.000 0.512 430 G N -0.983 107.760 108.800 -0.095 0.000 3.140 430 G HA2 0.762 4.726 3.960 0.006 0.000 0.271 430 G HA3 0.762 4.726 3.960 0.006 0.000 0.271 430 G C -0.071 174.786 174.900 -0.071 0.000 1.370 430 G CA -0.349 44.708 45.100 -0.073 0.000 1.014 430 G HN 0.272 nan 8.290 nan 0.000 0.541 431 G N -1.447 107.321 108.800 -0.053 0.000 2.795 431 G HA2 0.079 4.043 3.960 0.006 0.000 0.664 431 G HA3 0.079 4.043 3.960 0.006 0.000 0.664 431 G C -0.279 174.607 174.900 -0.024 0.000 1.381 431 G CA -0.401 44.675 45.100 -0.041 0.000 0.853 431 G HN 0.875 nan 8.290 nan 0.000 0.545 432 I N 1.727 122.299 120.570 0.004 0.000 2.618 432 I HA 0.387 4.561 4.170 0.006 0.000 0.284 432 I C 1.886 178.013 176.117 0.016 0.000 1.146 432 I CA 1.821 63.138 61.300 0.028 0.000 1.425 432 I CB -0.076 37.985 38.000 0.102 0.000 1.383 432 I HN 2.326 nan 8.210 nan 0.000 0.562 433 G N 4.640 113.449 108.800 0.016 0.000 2.159 433 G HA2 -0.176 3.788 3.960 0.006 0.000 0.256 433 G HA3 -0.176 3.788 3.960 0.006 0.000 0.256 433 G C 0.543 175.431 174.900 -0.019 0.000 0.977 433 G CA 0.097 45.204 45.100 0.012 0.000 0.652 433 G HN 1.063 nan 8.290 nan 0.000 0.531 434 A N -0.092 122.708 122.820 -0.034 0.000 2.511 434 A HA 0.640 4.964 4.320 0.006 0.000 0.242 434 A C 1.993 179.537 177.584 -0.067 0.000 1.069 434 A CA 1.745 53.746 52.037 -0.060 0.000 0.763 434 A CB -0.048 18.915 19.000 -0.062 0.000 1.001 434 A HN 2.380 nan 8.150 nan 0.000 0.498 435 G N 1.568 110.306 108.800 -0.104 0.000 2.147 435 G HA2 -0.203 3.761 3.960 0.006 0.000 0.244 435 G HA3 -0.203 3.761 3.960 0.006 0.000 0.244 435 G C 0.578 175.358 174.900 -0.199 0.000 1.005 435 G CA 1.246 46.261 45.100 -0.140 0.000 0.713 435 G HN 2.085 nan 8.290 nan 0.000 0.515 436 T N -2.909 111.535 114.554 -0.184 0.000 3.085 436 T HA 0.573 4.927 4.350 0.006 0.000 0.264 436 T C 0.576 175.094 174.700 -0.303 0.000 1.019 436 T CA 0.345 62.350 62.100 -0.159 0.000 0.910 436 T CB 1.069 69.963 68.868 0.043 0.000 1.059 436 T HN 0.561 nan 8.240 nan 0.000 0.542 437 V N 2.050 121.708 119.914 -0.427 0.000 2.539 437 V HA 0.612 4.736 4.120 0.006 0.000 0.292 437 V C -0.797 174.949 176.094 -0.581 0.000 1.045 437 V CA -0.760 61.373 62.300 -0.279 0.000 0.945 437 V CB 0.770 32.521 31.823 -0.120 0.000 0.993 437 V HN 0.423 nan 8.190 nan 0.000 0.464 438 F N 1.434 121.415 119.950 0.052 0.000 2.556 438 F HA 0.409 4.940 4.527 0.006 0.000 0.314 438 F C 0.261 176.088 175.800 0.045 0.000 1.106 438 F CA -0.726 57.306 58.000 0.053 0.000 0.911 438 F CB 1.589 40.631 39.000 0.070 0.000 1.190 438 F HN 0.474 nan 8.300 nan 0.000 0.448 439 E N 2.955 123.276 120.200 0.200 0.000 2.413 439 E HA 0.142 4.496 4.350 0.006 0.000 0.263 439 E C -0.374 176.301 176.600 0.126 0.000 1.015 439 E CA -0.411 56.059 56.400 0.116 0.000 0.916 439 E CB 0.694 30.441 29.700 0.078 0.000 0.947 439 E HN 0.549 nan 8.360 nan 0.000 0.440 440 R N 3.364 123.894 120.500 0.050 0.000 2.298 440 R HA 0.109 4.453 4.340 0.006 0.000 0.310 440 R C -0.462 175.897 176.300 0.098 0.000 1.068 440 R CA -0.584 55.551 56.100 0.058 0.000 0.957 440 R CB 0.542 30.786 30.300 -0.093 0.000 1.003 440 R HN 0.490 nan 8.270 nan 0.000 0.454 441 D N 1.685 122.205 120.400 0.200 0.000 2.358 441 D HA -0.073 4.571 4.640 0.006 0.000 0.244 441 D C 1.234 177.647 176.300 0.188 0.000 1.163 441 D CA -0.146 53.943 54.000 0.149 0.000 0.945 441 D CB 0.740 41.629 40.800 0.149 0.000 1.152 441 D HN 0.505 nan 8.370 nan 0.000 0.451 442 E N 1.013 121.277 120.200 0.106 0.000 2.209 442 E HA -0.211 4.143 4.350 0.006 0.000 0.196 442 E C 0.298 177.079 176.600 0.302 0.000 0.993 442 E CA 1.053 57.541 56.400 0.147 0.000 0.819 442 E CB 0.140 29.883 29.700 0.070 0.000 0.745 442 E HN 0.522 nan 8.360 nan 0.000 0.477 443 D N -1.036 119.498 120.400 0.223 0.000 2.388 443 D HA -0.103 4.541 4.640 0.006 0.000 0.221 443 D C 0.363 176.783 176.300 0.200 0.000 1.133 443 D CA -0.609 53.496 54.000 0.176 0.000 0.831 443 D CB -1.222 39.626 40.800 0.080 0.000 0.962 443 D HN 0.122 nan 8.370 nan 0.000 0.502 444 Y N 1.600 122.024 120.300 0.207 0.000 2.712 444 Y HA 0.153 4.706 4.550 0.006 0.000 0.333 444 Y C 0.147 176.097 175.900 0.083 0.000 1.225 444 Y CA 0.319 58.519 58.100 0.166 0.000 1.499 444 Y CB 0.438 39.053 38.460 0.259 0.000 1.288 444 Y HN -0.052 nan 8.280 nan 0.000 0.575 445 M N 5.403 124.609 119.600 -0.655 0.000 2.470 445 M HA 0.675 5.158 4.480 0.006 0.000 0.285 445 M C -2.052 173.874 176.300 -0.623 0.000 1.213 445 M CA -0.627 54.425 55.300 -0.414 0.000 0.901 445 M CB 2.168 34.691 32.600 -0.129 0.000 1.718 445 M HN 0.726 nan 8.290 nan 0.000 0.469 446 A N 5.132 127.717 122.820 -0.392 0.000 2.385 446 A HA 0.781 5.104 4.320 0.006 0.000 0.290 446 A C -2.693 174.734 177.584 -0.261 0.000 1.094 446 A CA -1.007 50.797 52.037 -0.388 0.000 0.729 446 A CB 1.134 19.762 19.000 -0.619 0.000 1.194 446 A HN 0.516 nan 8.150 nan 0.000 0.442 447 P HA 0.270 nan 4.420 nan 0.000 0.214 447 P C -0.280 176.946 177.300 -0.123 0.000 1.807 447 P CA 0.162 63.167 63.100 -0.158 0.000 0.921 447 P CB -0.333 31.263 31.700 -0.173 0.000 1.835 448 V N -3.527 116.320 119.914 -0.112 0.000 3.078 448 V HA 0.640 4.763 4.120 0.006 0.000 0.311 448 V C -0.169 175.891 176.094 -0.058 0.000 1.138 448 V CA -0.805 61.442 62.300 -0.088 0.000 1.007 448 V CB 1.625 33.397 31.823 -0.086 0.000 1.045 448 V HN -0.099 nan 8.190 nan 0.000 0.432 449 T N 2.090 116.585 114.554 -0.099 0.000 2.899 449 T HA 0.603 4.957 4.350 0.006 0.000 0.295 449 T C 0.759 175.381 174.700 -0.130 0.000 1.033 449 T CA 0.794 62.825 62.100 -0.114 0.000 1.084 449 T CB 0.980 69.719 68.868 -0.215 0.000 0.979 449 T HN 2.498 nan 8.240 nan 0.000 0.532 450 A N 1.564 124.358 122.820 -0.043 0.000 2.876 450 A HA -0.172 4.152 4.320 0.006 0.000 0.287 450 A C 0.007 177.653 177.584 0.104 0.000 1.455 450 A CA 0.821 52.870 52.037 0.018 0.000 0.744 450 A CB -2.574 16.357 19.000 -0.114 0.000 1.041 450 A HN 0.998 nan 8.150 nan 0.000 0.500 451 H N -1.669 117.429 119.070 0.046 0.000 2.459 451 H HA 0.637 5.197 4.556 0.006 0.000 0.332 451 H C 0.465 175.873 175.328 0.132 0.000 1.094 451 H CA -0.128 55.976 56.048 0.093 0.000 1.224 451 H CB 0.479 30.286 29.762 0.074 0.000 1.449 451 H HN 0.427 nan 8.280 nan 0.000 0.484 452 F N 3.127 122.837 119.950 -0.400 0.000 2.179 452 F HA 0.290 4.821 4.527 0.006 0.000 0.292 452 F C 1.204 176.909 175.800 -0.159 0.000 1.089 452 F CA 1.038 58.911 58.000 -0.212 0.000 1.295 452 F CB -0.186 38.711 39.000 -0.171 0.000 1.041 452 F HN 0.604 nan 8.300 nan 0.000 0.487 453 G N -1.301 107.334 108.800 -0.274 0.000 2.525 453 G HA2 0.091 4.055 3.960 0.006 0.000 0.287 453 G HA3 0.091 4.055 3.960 0.006 0.000 0.287 453 G C -1.448 173.449 174.900 -0.005 0.000 1.350 453 G CA -0.507 44.505 45.100 -0.147 0.000 1.039 453 G HN 0.288 nan 8.290 nan 0.000 0.513 454 Y N 0.779 121.033 120.300 -0.076 0.000 2.895 454 Y HA 0.128 4.681 4.550 0.006 0.000 0.334 454 Y C 0.005 175.987 175.900 0.137 0.000 1.261 454 Y CA 0.404 58.499 58.100 -0.007 0.000 1.560 454 Y CB 0.318 38.763 38.460 -0.026 0.000 1.253 454 Y HN 0.408 nan 8.280 nan 0.000 0.582 455 N N 5.251 123.660 118.700 -0.485 0.000 2.558 455 N HA 0.091 4.834 4.740 0.006 0.000 0.285 455 N C -1.982 173.279 175.510 -0.414 0.000 1.112 455 N CA -0.664 52.258 53.050 -0.213 0.000 0.857 455 N CB 0.472 38.970 38.487 0.017 0.000 1.376 455 N HN 0.662 nan 8.380 nan 0.000 0.526 456 N N 3.655 122.148 118.700 -0.345 0.000 2.605 456 N HA 0.121 4.865 4.740 0.006 0.000 0.258 456 N C 0.475 175.965 175.510 -0.033 0.000 1.156 456 N CA -0.008 52.927 53.050 -0.192 0.000 1.008 456 N CB 0.413 38.884 38.487 -0.026 0.000 1.354 456 N HN 0.320 nan 8.380 nan 0.000 0.509 457 V N 3.471 123.364 119.914 -0.034 0.000 2.685 457 V HA -0.032 4.092 4.120 0.006 0.000 0.244 457 V C 2.162 178.293 176.094 0.062 0.000 1.054 457 V CA 0.796 63.121 62.300 0.041 0.000 1.076 457 V CB -0.286 31.538 31.823 0.002 0.000 0.725 457 V HN 0.549 nan 8.190 nan 0.000 0.467 458 K N 0.921 121.327 120.400 0.009 0.000 2.077 458 K HA -0.338 3.986 4.320 0.006 0.000 0.213 458 K C 2.269 178.858 176.600 -0.018 0.000 1.051 458 K CA 2.397 58.686 56.287 0.003 0.000 0.929 458 K CB -0.319 32.178 32.500 -0.005 0.000 0.715 458 K HN 0.752 nan 8.250 nan 0.000 0.451 459 Q N -0.724 119.040 119.800 -0.060 0.000 2.325 459 Q HA -0.234 4.109 4.340 0.006 0.000 0.211 459 Q C 1.101 176.892 176.000 -0.348 0.000 0.988 459 Q CA 1.819 57.501 55.803 -0.202 0.000 0.887 459 Q CB -0.226 28.351 28.738 -0.268 0.000 0.915 459 Q HN 0.455 nan 8.270 nan 0.000 0.440 460 Y N -0.412 119.873 120.300 -0.024 0.000 2.539 460 Y HA 0.273 4.827 4.550 0.007 0.000 0.284 460 Y C 0.186 176.074 175.900 -0.021 0.000 1.134 460 Y CA 0.094 58.178 58.100 -0.025 0.000 1.251 460 Y CB 0.996 39.435 38.460 -0.035 0.000 1.260 460 Y HN 0.091 nan 8.280 nan 0.000 0.528 461 D N -0.523 119.952 120.400 0.126 0.000 2.333 461 D HA 0.118 4.762 4.640 0.006 0.000 0.225 461 D C -0.523 175.800 176.300 0.039 0.000 1.345 461 D CA -0.022 54.018 54.000 0.067 0.000 0.971 461 D CB 0.882 41.720 40.800 0.063 0.000 1.451 461 D HN 0.041 nan 8.370 nan 0.000 0.561 462 E N 1.364 121.577 120.200 0.023 0.000 2.463 462 E HA 0.025 4.379 4.350 0.006 0.000 0.201 462 E C 1.589 178.196 176.600 0.012 0.000 1.045 462 E CA 0.888 57.296 56.400 0.013 0.000 0.872 462 E CB 0.108 29.813 29.700 0.007 0.000 0.797 462 E HN 0.430 nan 8.360 nan 0.000 0.538 463 A N -0.229 122.600 122.820 0.015 0.000 2.195 463 A HA 0.115 4.439 4.320 0.006 0.000 0.210 463 A C 1.274 178.865 177.584 0.012 0.000 1.165 463 A CA 0.208 52.253 52.037 0.012 0.000 0.806 463 A CB 0.243 19.250 19.000 0.012 0.000 0.847 463 A HN 0.154 nan 8.150 nan 0.000 0.482 464 L N -0.819 120.412 121.223 0.013 0.000 2.667 464 L HA 0.168 4.512 4.340 0.006 0.000 0.232 464 L C 1.877 178.750 176.870 0.006 0.000 1.138 464 L CA 0.491 55.337 54.840 0.009 0.000 0.921 464 L CB 0.084 42.147 42.059 0.007 0.000 1.180 464 L HN 0.116 nan 8.230 nan 0.000 0.487 465 V N -0.001 119.916 119.914 0.005 0.000 2.317 465 V HA -0.333 3.791 4.120 0.006 0.000 0.251 465 V C 2.428 178.523 176.094 0.001 0.000 1.065 465 V CA 2.300 64.598 62.300 -0.003 0.000 1.049 465 V CB -0.668 31.151 31.823 -0.006 0.000 0.651 465 V HN 0.727 nan 8.190 nan 0.000 0.450 466 S N -1.135 114.570 115.700 0.009 0.000 2.522 466 S HA 0.012 4.486 4.470 0.006 0.000 0.227 466 S C 0.721 175.336 174.600 0.026 0.000 0.986 466 S CA 0.467 58.678 58.200 0.018 0.000 0.929 466 S CB -0.008 63.205 63.200 0.021 0.000 0.769 466 S HN 0.671 nan 8.310 nan 0.000 0.529 467 E N 0.995 121.206 120.200 0.017 0.000 3.352 467 E HA 0.244 4.598 4.350 0.006 0.000 0.254 467 E C -2.556 174.043 176.600 -0.002 0.000 1.229 467 E CA -1.537 54.874 56.400 0.017 0.000 0.949 467 E CB 1.456 31.169 29.700 0.022 0.000 1.373 467 E HN 0.206 nan 8.360 nan 0.000 0.392 468 P HA -0.169 nan 4.420 nan 0.000 0.219 468 P C 1.599 178.867 177.300 -0.054 0.000 1.146 468 P CA 1.218 64.297 63.100 -0.036 0.000 0.808 468 P CB 0.243 31.916 31.700 -0.044 0.000 0.779 469 S N -1.291 114.383 115.700 -0.043 0.000 2.474 469 S HA -0.090 4.384 4.470 0.006 0.000 0.235 469 S C 1.854 176.428 174.600 -0.044 0.000 0.997 469 S CA 0.843 59.012 58.200 -0.053 0.000 0.949 469 S CB -0.665 62.506 63.200 -0.048 0.000 0.766 469 S HN -0.070 nan 8.310 nan 0.000 0.517 470 K N 1.686 122.068 120.400 -0.030 0.000 2.113 470 K HA 0.113 4.436 4.320 0.006 0.000 0.208 470 K C 1.786 178.360 176.600 -0.044 0.000 1.047 470 K CA 1.246 57.518 56.287 -0.026 0.000 0.928 470 K CB -0.873 31.619 32.500 -0.013 0.000 0.716 470 K HN 0.463 nan 8.250 nan 0.000 0.446 471 L N 0.346 121.529 121.223 -0.066 0.000 2.187 471 L HA -0.133 4.211 4.340 0.006 0.000 0.213 471 L C 1.587 178.394 176.870 -0.105 0.000 1.100 471 L CA 1.061 55.840 54.840 -0.102 0.000 0.765 471 L CB -0.378 41.586 42.059 -0.160 0.000 0.904 471 L HN 0.262 nan 8.230 nan 0.000 0.437 472 I N -5.248 115.269 120.570 -0.088 0.000 3.833 472 I HA 0.278 4.452 4.170 0.006 0.000 0.328 472 I C -0.637 175.448 176.117 -0.053 0.000 1.554 472 I CA -0.410 60.843 61.300 -0.078 0.000 1.116 472 I CB 0.356 38.304 38.000 -0.087 0.000 1.182 472 I HN -0.077 nan 8.210 nan 0.000 0.459 473 D N 2.347 122.722 120.400 -0.043 0.000 2.746 473 D HA -0.108 4.536 4.640 0.006 0.000 0.236 473 D C 0.664 176.950 176.300 -0.022 0.000 1.129 473 D CA 1.842 55.826 54.000 -0.027 0.000 0.691 473 D CB -1.362 39.424 40.800 -0.024 0.000 1.077 473 D HN 1.088 nan 8.370 nan 0.000 0.432 474 G N -1.285 107.499 108.800 -0.027 0.000 3.055 474 G HA2 0.051 4.015 3.960 0.006 0.000 0.686 474 G HA3 0.051 4.015 3.960 0.006 0.000 0.686 474 G C 0.645 175.523 174.900 -0.036 0.000 1.087 474 G CA -0.246 44.841 45.100 -0.022 0.000 0.779 474 G HN 1.054 nan 8.290 nan 0.000 0.599 475 C N 1.291 120.560 119.300 -0.051 0.000 2.517 475 C HA 0.870 5.334 4.460 0.006 0.000 0.357 475 C C 2.491 177.445 174.990 -0.059 0.000 1.485 475 C CA 0.722 59.700 59.018 -0.066 0.000 2.148 475 C CB 0.693 28.375 27.740 -0.097 0.000 2.019 475 C HN 1.894 nan 8.230 nan 0.000 0.576 476 T N -0.446 114.070 114.554 -0.063 0.000 2.881 476 T HA -0.134 4.220 4.350 0.006 0.000 0.270 476 T C 1.483 176.155 174.700 -0.047 0.000 1.068 476 T CA 1.671 63.747 62.100 -0.040 0.000 1.131 476 T CB -0.714 68.138 68.868 -0.027 0.000 0.871 476 T HN 0.684 nan 8.240 nan 0.000 0.479 477 L N -0.003 121.136 121.223 -0.140 0.000 2.141 477 L HA 0.033 4.377 4.340 0.006 0.000 0.209 477 L C 2.790 179.691 176.870 0.051 0.000 1.094 477 L CA 1.394 56.107 54.840 -0.211 0.000 0.763 477 L CB -0.504 41.091 42.059 -0.774 0.000 0.908 477 L HN 0.260 nan 8.230 nan 0.000 0.437 478 E N -0.639 119.578 120.200 0.029 0.000 2.140 478 E HA 0.017 4.371 4.350 0.006 0.000 0.191 478 E C 0.223 176.859 176.600 0.060 0.000 0.973 478 E CA 0.389 56.840 56.400 0.085 0.000 0.829 478 E CB 0.481 30.213 29.700 0.052 0.000 0.781 478 E HN 0.101 nan 8.360 nan 0.000 0.466 479 V N 2.216 122.147 119.914 0.028 0.000 2.315 479 V HA 0.172 4.296 4.120 0.006 0.000 0.265 479 V C -2.145 173.959 176.094 0.017 0.000 1.019 479 V CA -1.106 61.206 62.300 0.020 0.000 0.824 479 V CB 1.300 33.127 31.823 0.006 0.000 1.072 479 V HN 0.029 nan 8.190 nan 0.000 0.448 480 P HA -0.142 nan 4.420 nan 0.000 0.218 480 P C 1.283 178.593 177.300 0.017 0.000 1.146 480 P CA 1.088 64.203 63.100 0.025 0.000 0.813 480 P CB 0.414 32.126 31.700 0.020 0.000 0.778 481 E N -0.319 119.887 120.200 0.010 0.000 2.267 481 E HA -0.157 4.196 4.350 0.006 0.000 0.197 481 E C 1.601 178.209 176.600 0.014 0.000 0.998 481 E CA 1.051 57.456 56.400 0.008 0.000 0.830 481 E CB -0.662 29.040 29.700 0.003 0.000 0.751 481 E HN 0.344 nan 8.360 nan 0.000 0.491 482 K N 0.056 120.463 120.400 0.012 0.000 2.366 482 K HA 0.085 4.408 4.320 0.006 0.000 0.198 482 K C 0.272 176.884 176.600 0.020 0.000 1.044 482 K CA 0.051 56.344 56.287 0.009 0.000 0.973 482 K CB 0.067 32.565 32.500 -0.003 0.000 0.767 482 K HN 0.162 nan 8.250 nan 0.000 0.475 483 I N 2.222 122.812 120.570 0.033 0.000 2.683 483 I HA -0.088 4.086 4.170 0.006 0.000 0.286 483 I C 0.056 176.217 176.117 0.074 0.000 1.175 483 I CA -0.095 61.236 61.300 0.053 0.000 1.429 483 I CB 0.582 38.627 38.000 0.075 0.000 1.371 483 I HN -0.234 nan 8.210 nan 0.000 0.569 484 V N 7.967 127.921 119.914 0.067 0.000 2.408 484 V HA 0.060 4.184 4.120 0.006 0.000 0.267 484 V C -0.268 175.893 176.094 0.112 0.000 1.047 484 V CA -0.387 61.958 62.300 0.075 0.000 0.937 484 V CB 0.512 32.356 31.823 0.035 0.000 0.999 484 V HN 0.422 nan 8.190 nan 0.000 0.472 485 Y N 6.337 126.650 120.300 0.021 0.000 2.320 485 Y HA 0.577 5.131 4.550 0.006 0.000 0.334 485 Y C -0.103 175.810 175.900 0.022 0.000 1.055 485 Y CA -0.799 57.317 58.100 0.028 0.000 1.143 485 Y CB 0.860 39.341 38.460 0.034 0.000 1.193 485 Y HN 0.441 nan 8.280 nan 0.000 0.477 486 I N 6.300 126.523 120.570 -0.578 0.000 2.433 486 I HA 0.131 4.305 4.170 0.006 0.000 0.292 486 I C 0.117 175.852 176.117 -0.636 0.000 1.001 486 I CA -0.458 60.596 61.300 -0.411 0.000 1.119 486 I CB 1.797 39.657 38.000 -0.234 0.000 1.289 486 I HN 0.741 nan 8.210 nan 0.000 0.438 487 D N 4.462 124.696 120.400 -0.276 0.000 2.165 487 D HA 0.017 4.661 4.640 0.006 0.000 0.213 487 D C 0.078 176.327 176.300 -0.085 0.000 0.983 487 D CA 1.591 55.520 54.000 -0.119 0.000 0.881 487 D CB 0.693 41.543 40.800 0.084 0.000 1.028 487 D HN 0.465 nan 8.370 nan 0.000 0.457 488 E N -0.643 119.530 120.200 -0.045 0.000 2.366 488 E HA 0.288 4.642 4.350 0.006 0.000 0.278 488 E C -0.071 176.511 176.600 -0.029 0.000 0.923 488 E CA -0.354 56.030 56.400 -0.027 0.000 0.761 488 E CB 2.004 31.707 29.700 0.005 0.000 1.231 488 E HN 0.132 nan 8.360 nan 0.000 0.443 489 L N -0.153 121.052 121.223 -0.029 0.000 2.749 489 L HA 0.238 4.582 4.340 0.006 0.000 0.242 489 L C 0.353 177.212 176.870 -0.019 0.000 1.103 489 L CA 0.146 54.970 54.840 -0.027 0.000 0.906 489 L CB 0.681 42.717 42.059 -0.038 0.000 1.228 489 L HN 0.329 nan 8.230 nan 0.000 0.517 490 D N 0.267 120.659 120.400 -0.014 0.000 2.344 490 D HA 0.135 4.778 4.640 0.006 0.000 0.239 490 D C 0.247 176.546 176.300 -0.001 0.000 1.064 490 D CA -0.073 53.922 54.000 -0.009 0.000 0.829 490 D CB 2.353 43.148 40.800 -0.009 0.000 1.129 490 D HN -0.100 nan 8.370 nan 0.000 0.506 491 E N 1.891 122.091 120.200 -0.001 0.000 2.435 491 E HA 0.045 4.399 4.350 0.006 0.000 0.195 491 E C 0.803 177.405 176.600 0.003 0.000 1.029 491 E CA 0.457 56.859 56.400 0.003 0.000 0.865 491 E CB 0.366 30.067 29.700 0.003 0.000 0.833 491 E HN 0.358 nan 8.360 nan 0.000 0.510 492 N N -0.105 118.596 118.700 0.001 0.000 2.414 492 N HA -0.044 4.700 4.740 0.006 0.000 0.177 492 N C -0.188 175.321 175.510 -0.002 0.000 1.062 492 N CA 0.380 53.430 53.050 -0.000 0.000 0.890 492 N CB 0.464 38.951 38.487 -0.001 0.000 1.070 492 N HN -0.017 nan 8.380 nan 0.000 0.454 493 D N 1.126 121.526 120.400 0.000 0.000 2.485 493 D HA 0.208 4.852 4.640 0.006 0.000 0.256 493 D C -1.030 175.276 176.300 0.010 0.000 1.141 493 D CA -0.376 53.624 54.000 0.001 0.000 0.942 493 D CB -0.439 40.363 40.800 0.004 0.000 1.003 493 D HN 0.263 nan 8.370 nan 0.000 0.507 494 N N -0.545 118.161 118.700 0.011 0.000 3.020 494 N HA 0.090 4.834 4.740 0.006 0.000 0.248 494 N C -0.060 175.467 175.510 0.029 0.000 1.480 494 N CA -0.891 52.180 53.050 0.035 0.000 0.874 494 N CB 0.928 39.437 38.487 0.036 0.000 1.433 494 N HN -0.156 nan 8.380 nan 0.000 0.530 495 V N 0.353 120.312 119.914 0.076 0.000 2.515 495 V HA -0.149 3.974 4.120 0.006 0.000 0.250 495 V C 1.151 177.241 176.094 -0.006 0.000 1.058 495 V CA 1.691 64.011 62.300 0.034 0.000 1.064 495 V CB -0.958 30.943 31.823 0.129 0.000 0.675 495 V HN 0.645 nan 8.190 nan 0.000 0.461 496 N N 0.270 118.982 118.700 0.021 0.000 2.084 496 N HA -0.126 4.618 4.740 0.006 0.000 0.190 496 N C 1.752 177.257 175.510 -0.008 0.000 1.030 496 N CA 1.840 54.895 53.050 0.009 0.000 0.849 496 N CB -0.541 37.959 38.487 0.023 0.000 1.012 496 N HN 0.442 nan 8.380 nan 0.000 0.423 497 V N 1.496 121.405 119.914 -0.008 0.000 2.515 497 V HA -0.125 3.999 4.120 0.006 0.000 0.250 497 V C 2.491 178.564 176.094 -0.035 0.000 1.058 497 V CA 1.243 63.534 62.300 -0.016 0.000 1.064 497 V CB -0.397 31.419 31.823 -0.012 0.000 0.675 497 V HN 0.235 nan 8.190 nan 0.000 0.461 498 R N -0.715 119.752 120.500 -0.056 0.000 2.075 498 R HA -0.093 4.250 4.340 0.006 0.000 0.232 498 R C 2.392 178.638 176.300 -0.090 0.000 1.126 498 R CA 1.444 57.485 56.100 -0.098 0.000 0.963 498 R CB -0.218 29.991 30.300 -0.152 0.000 0.858 498 R HN 0.361 nan 8.270 nan 0.000 0.435 499 M N 0.395 119.949 119.600 -0.077 0.000 2.117 499 M HA -0.164 4.320 4.480 0.006 0.000 0.262 499 M C 1.999 178.282 176.300 -0.027 0.000 1.065 499 M CA 1.337 56.599 55.300 -0.062 0.000 1.114 499 M CB -0.757 31.811 32.600 -0.052 0.000 1.361 499 M HN 0.129 nan 8.290 nan 0.000 0.408 500 E N 0.693 120.881 120.200 -0.019 0.000 2.209 500 E HA -0.231 4.123 4.350 0.006 0.000 0.196 500 E C 1.697 178.302 176.600 0.008 0.000 0.993 500 E CA 1.214 57.612 56.400 -0.003 0.000 0.819 500 E CB 0.023 29.721 29.700 -0.003 0.000 0.745 500 E HN 0.478 nan 8.360 nan 0.000 0.477 501 E N -0.311 119.889 120.200 0.000 0.000 2.150 501 E HA -0.094 4.260 4.350 0.006 0.000 0.193 501 E C 1.283 177.917 176.600 0.056 0.000 0.985 501 E CA 1.701 58.110 56.400 0.015 0.000 0.814 501 E CB 0.026 29.720 29.700 -0.010 0.000 0.752 501 E HN 0.205 nan 8.360 nan 0.000 0.466 502 T N -3.769 110.821 114.554 0.059 0.000 3.215 502 T HA 0.337 4.691 4.350 0.006 0.000 0.271 502 T C 1.440 176.248 174.700 0.180 0.000 1.012 502 T CA 0.231 62.417 62.100 0.144 0.000 0.899 502 T CB 0.557 69.459 68.868 0.056 0.000 1.089 502 T HN 0.127 nan 8.240 nan 0.000 0.552 503 K N 1.171 121.629 120.400 0.097 0.000 2.211 503 K HA 0.048 4.372 4.320 0.006 0.000 0.204 503 K C 2.184 178.805 176.600 0.035 0.000 1.047 503 K CA 1.722 58.041 56.287 0.053 0.000 0.935 503 K CB -1.629 30.884 32.500 0.021 0.000 0.728 503 K HN 0.792 nan 8.250 nan 0.000 0.452 504 E N -0.524 119.685 120.200 0.016 0.000 2.427 504 E HA 0.173 4.526 4.350 0.006 0.000 0.196 504 E C 1.433 177.843 176.600 -0.317 0.000 1.028 504 E CA 0.766 57.068 56.400 -0.163 0.000 0.864 504 E CB -0.575 28.969 29.700 -0.261 0.000 0.813 504 E HN 0.759 nan 8.360 nan 0.000 0.514 505 F N -0.111 119.832 119.950 -0.012 0.000 2.664 505 F HA 0.342 4.872 4.527 0.005 0.000 0.303 505 F C 1.256 177.046 175.800 -0.018 0.000 1.092 505 F CA -0.099 57.894 58.000 -0.013 0.000 1.305 505 F CB 0.698 39.691 39.000 -0.012 0.000 1.054 505 F HN -0.040 nan 8.300 nan 0.000 0.565 510 M N 2.323 121.860 119.600 -0.106 0.000 2.241 510 M HA 0.595 5.079 4.480 0.006 0.000 0.335 510 M C 0.035 176.369 176.300 0.057 0.000 1.122 510 M CA -0.471 54.770 55.300 -0.098 0.000 1.164 510 M CB 0.550 32.955 32.600 -0.325 0.000 1.459 510 M HN 0.573 nan 8.290 nan 0.000 0.461 511 I N 1.743 122.427 120.570 0.191 0.000 2.841 511 I HA 0.511 4.684 4.170 0.006 0.000 0.298 511 I C -1.443 174.824 176.117 0.249 0.000 1.304 511 I CA -0.552 60.906 61.300 0.263 0.000 1.019 511 I CB 2.331 40.405 38.000 0.123 0.000 1.282 511 I HN 0.794 nan 8.210 nan 0.000 0.432 512 K N 5.342 125.826 120.400 0.139 0.000 2.533 512 K HA 0.710 5.034 4.320 0.006 0.000 0.272 512 K C -3.095 173.456 176.600 -0.081 0.000 0.985 512 K CA -1.607 54.681 56.287 0.003 0.000 0.876 512 K CB 1.381 33.853 32.500 -0.048 0.000 1.452 512 K HN 0.153 nan 8.250 nan 0.000 0.439 513 P HA 0.066 nan 4.420 nan 0.000 0.271 513 P C -1.262 175.928 177.300 -0.183 0.000 1.233 513 P CA -0.103 62.916 63.100 -0.135 0.000 0.789 513 P CB 0.440 32.047 31.700 -0.155 0.000 0.951 514 E N -1.151 118.936 120.200 -0.189 0.000 2.412 514 E HA 0.395 4.749 4.350 0.006 0.000 0.279 514 E C -0.553 175.839 176.600 -0.346 0.000 0.984 514 E CA -0.936 55.322 56.400 -0.236 0.000 0.788 514 E CB 1.285 30.912 29.700 -0.122 0.000 1.277 514 E HN 0.117 nan 8.360 nan 0.000 0.455 515 V N -1.589 117.989 119.914 -0.561 0.000 3.359 515 V HA 0.257 4.381 4.120 0.006 0.000 0.245 515 V C 1.174 176.715 176.094 -0.922 0.000 1.247 515 V CA 1.362 63.142 62.300 -0.866 0.000 1.145 515 V CB -0.327 30.470 31.823 -1.710 0.000 0.906 515 V HN 0.889 nan 8.190 nan 0.000 0.464 516 E N -2.406 117.373 120.200 -0.702 0.000 2.701 516 E HA 0.122 4.476 4.350 0.006 0.000 0.201 516 E C -0.020 176.550 176.600 -0.051 0.000 0.961 516 E CA -0.432 55.615 56.400 -0.589 0.000 1.659 516 E CB 0.283 29.652 29.700 -0.551 0.000 1.970 516 E HN 0.454 nan 8.360 nan 0.000 1.021 517 W N 2.907 124.120 121.300 -0.145 0.000 2.606 517 W HA 0.462 5.125 4.660 0.004 0.000 0.332 517 W C 0.040 176.489 176.519 -0.116 0.000 1.052 517 W CA -1.751 55.540 57.345 -0.091 0.000 1.223 517 W CB 1.079 30.482 29.460 -0.095 0.000 1.383 517 W HN 0.084 nan 8.180 nan 0.000 0.524 518 Q N 1.716 121.592 119.800 0.126 0.000 2.436 518 Q HA 0.219 4.562 4.340 0.006 0.000 0.326 518 Q C 1.020 176.919 176.000 -0.169 0.000 1.079 518 Q CA 1.708 57.494 55.803 -0.029 0.000 1.049 518 Q CB 0.213 28.924 28.738 -0.045 0.000 1.047 518 Q HN 0.694 nan 8.270 nan 0.000 0.386 519 A N 3.834 126.476 122.820 -0.295 0.000 2.872 519 A HA -0.251 4.073 4.320 0.006 0.000 0.273 519 A C 0.606 177.999 177.584 -0.318 0.000 1.442 519 A CA 1.209 52.937 52.037 -0.515 0.000 0.801 519 A CB -2.135 16.135 19.000 -1.216 0.000 1.031 519 A HN 1.047 nan 8.150 nan 0.000 0.582 520 D N -1.532 118.754 120.400 -0.190 0.000 2.348 520 D HA 0.297 4.941 4.640 0.006 0.000 0.216 520 D C 1.653 177.832 176.300 -0.200 0.000 0.970 520 D CA 1.318 55.228 54.000 -0.151 0.000 0.889 520 D CB -0.676 40.044 40.800 -0.134 0.000 0.912 520 D HN 1.905 nan 8.370 nan 0.000 0.524 521 G N -0.807 107.851 108.800 -0.236 0.000 2.184 521 G HA2 -0.292 3.672 3.960 0.006 0.000 0.264 521 G HA3 -0.292 3.672 3.960 0.006 0.000 0.264 521 G C 0.426 175.177 174.900 -0.249 0.000 0.975 521 G CA 0.572 45.531 45.100 -0.236 0.000 0.642 521 G HN 0.510 nan 8.290 nan 0.000 0.536 522 T N 1.046 115.420 114.554 -0.300 0.000 2.901 522 T HA 0.530 4.883 4.350 0.006 0.000 0.301 522 T C 0.596 175.079 174.700 -0.360 0.000 1.012 522 T CA 0.406 62.302 62.100 -0.339 0.000 1.135 522 T CB 1.980 70.569 68.868 -0.465 0.000 0.936 522 T HN 1.437 nan 8.240 nan 0.000 0.539 523 V N 1.405 121.178 119.914 -0.236 0.000 3.102 523 V HA 0.858 4.981 4.120 0.006 0.000 0.312 523 V C -1.037 175.055 176.094 -0.004 0.000 1.135 523 V CA -1.378 60.833 62.300 -0.149 0.000 1.022 523 V CB 1.930 33.701 31.823 -0.087 0.000 1.056 523 V HN 0.647 nan 8.190 nan 0.000 0.436 524 L N 2.460 123.745 121.223 0.104 0.000 2.322 524 L HA 0.817 5.161 4.340 0.006 0.000 0.281 524 L C -0.947 175.998 176.870 0.125 0.000 1.014 524 L CA -0.516 54.458 54.840 0.223 0.000 0.815 524 L CB 1.367 43.654 42.059 0.379 0.000 1.247 524 L HN 0.866 nan 8.230 nan 0.000 0.421 525 L N 4.423 125.708 121.223 0.103 0.000 2.333 525 L HA 0.705 5.049 4.340 0.006 0.000 0.280 525 L C -0.718 176.188 176.870 0.059 0.000 1.004 525 L CA 0.270 55.151 54.840 0.069 0.000 0.820 525 L CB 1.985 44.078 42.059 0.055 0.000 1.247 525 L HN 0.704 nan 8.230 nan 0.000 0.416 526 T N 6.851 121.436 114.554 0.051 0.000 2.807 526 T HA 0.766 5.120 4.350 0.006 0.000 0.279 526 T C -0.374 174.347 174.700 0.034 0.000 0.993 526 T CA -0.461 61.666 62.100 0.044 0.000 0.970 526 T CB 1.198 70.097 68.868 0.053 0.000 0.950 526 T HN 0.717 nan 8.240 nan 0.000 0.441 527 M N 1.735 121.354 119.600 0.032 0.000 2.622 527 M HA 0.794 5.278 4.480 0.006 0.000 0.276 527 M C -1.938 174.412 176.300 0.084 0.000 1.265 527 M CA -1.228 54.091 55.300 0.031 0.000 0.850 527 M CB 2.245 34.817 32.600 -0.047 0.000 1.720 527 M HN 0.495 nan 8.290 nan 0.000 0.465 528 F N 2.062 121.981 119.950 -0.051 0.000 2.507 528 F HA 0.810 5.341 4.527 0.006 0.000 0.325 528 F C -2.280 173.493 175.800 -0.045 0.000 1.116 528 F CA -0.688 57.291 58.000 -0.035 0.000 0.930 528 F CB 1.495 40.479 39.000 -0.026 0.000 1.146 528 F HN 0.600 nan 8.300 nan 0.000 0.447 529 L N 7.564 128.290 121.223 -0.829 0.000 2.362 529 L HA 0.491 4.835 4.340 0.006 0.000 0.275 529 L C -2.215 174.124 176.870 -0.884 0.000 0.998 529 L CA -2.026 52.447 54.840 -0.612 0.000 0.820 529 L CB 2.362 44.269 42.059 -0.254 0.000 1.270 529 L HN 0.471 nan 8.230 nan 0.000 0.415 530 P HA 0.111 nan 4.420 nan 0.000 0.226 530 P C -0.367 176.860 177.300 -0.121 0.000 1.783 530 P CA 0.201 63.166 63.100 -0.225 0.000 0.980 530 P CB 0.221 31.954 31.700 0.055 0.000 1.967 531 T N -0.948 113.506 114.554 -0.166 0.000 2.762 531 T HA 0.437 4.790 4.350 0.006 0.000 0.301 531 T C -0.648 174.013 174.700 -0.064 0.000 1.299 531 T CA -0.389 61.668 62.100 -0.071 0.000 1.005 531 T CB 0.825 69.672 68.868 -0.035 0.000 1.377 531 T HN 0.071 nan 8.240 nan 0.000 0.504 532 S N 1.229 116.915 115.700 -0.023 0.000 2.584 532 S HA 0.203 4.677 4.470 0.006 0.000 0.270 532 S C 1.438 176.036 174.600 -0.002 0.000 1.346 532 S CA 0.158 58.353 58.200 -0.009 0.000 1.018 532 S CB 0.648 63.850 63.200 0.004 0.000 0.899 532 S HN 0.970 nan 8.310 nan 0.000 0.542 533 K N 1.491 121.895 120.400 0.006 0.000 2.097 533 K HA -0.170 4.154 4.320 0.006 0.000 0.206 533 K C 2.181 178.811 176.600 0.049 0.000 1.049 533 K CA 1.166 57.460 56.287 0.012 0.000 0.933 533 K CB -0.238 32.269 32.500 0.012 0.000 0.717 533 K HN 0.628 nan 8.250 nan 0.000 0.442 534 R N 1.093 121.638 120.500 0.074 0.000 2.066 534 R HA -0.058 4.286 4.340 0.006 0.000 0.232 534 R C 2.178 178.609 176.300 0.218 0.000 1.131 534 R CA 1.332 57.525 56.100 0.156 0.000 0.955 534 R CB -0.225 30.150 30.300 0.126 0.000 0.851 534 R HN 0.106 nan 8.270 nan 0.000 0.432 535 V N 1.217 121.201 119.914 0.116 0.000 2.392 535 V HA -0.254 3.870 4.120 0.006 0.000 0.249 535 V C 2.444 178.616 176.094 0.131 0.000 1.059 535 V CA 1.949 64.316 62.300 0.111 0.000 1.051 535 V CB -0.789 31.061 31.823 0.044 0.000 0.658 535 V HN 0.548 nan 8.190 nan 0.000 0.455 536 A N -0.176 122.689 122.820 0.075 0.000 1.898 536 A HA -0.266 4.058 4.320 0.006 0.000 0.216 536 A C 2.300 179.919 177.584 0.058 0.000 1.181 536 A CA 1.909 53.969 52.037 0.037 0.000 0.620 536 A CB -0.492 18.484 19.000 -0.040 0.000 0.819 536 A HN 0.656 nan 8.150 nan 0.000 0.442 537 E N -0.975 119.258 120.200 0.054 0.000 2.038 537 E HA -0.219 4.135 4.350 0.006 0.000 0.195 537 E C 1.679 178.228 176.600 -0.084 0.000 1.000 537 E CA 1.598 57.974 56.400 -0.041 0.000 0.803 537 E CB -0.318 29.319 29.700 -0.104 0.000 0.750 537 E HN 0.599 nan 8.360 nan 0.000 0.448 538 F N 0.644 120.602 119.950 0.014 0.000 2.234 538 F HA -0.027 4.503 4.527 0.006 0.000 0.299 538 F C 2.431 178.240 175.800 0.015 0.000 1.087 538 F CA 0.915 58.921 58.000 0.010 0.000 1.340 538 F CB -0.336 38.662 39.000 -0.002 0.000 1.031 538 F HN 0.157 nan 8.300 nan 0.000 0.500 539 A N 0.109 123.044 122.820 0.192 0.000 1.898 539 A HA -0.071 4.252 4.320 0.006 0.000 0.216 539 A C 2.412 180.144 177.584 0.245 0.000 1.181 539 A CA 1.631 53.759 52.037 0.152 0.000 0.620 539 A CB -1.276 17.839 19.000 0.193 0.000 0.819 539 A HN 0.292 nan 8.150 nan 0.000 0.442 540 A N 0.054 123.012 122.820 0.230 0.000 1.908 540 A HA -0.097 4.227 4.320 0.006 0.000 0.218 540 A C 1.983 179.665 177.584 0.163 0.000 1.181 540 A CA 1.688 53.864 52.037 0.232 0.000 0.627 540 A CB -0.526 18.525 19.000 0.085 0.000 0.818 540 A HN 0.404 nan 8.150 nan 0.000 0.445 541 I N 0.291 120.896 120.570 0.057 0.000 2.208 541 I HA -0.186 3.988 4.170 0.006 0.000 0.245 541 I C 2.335 178.475 176.117 0.039 0.000 1.097 541 I CA 1.388 62.697 61.300 0.014 0.000 1.363 541 I CB -1.448 36.516 38.000 -0.059 0.000 1.051 541 I HN 0.341 nan 8.210 nan 0.000 0.413 542 E N 0.236 120.449 120.200 0.021 0.000 2.106 542 E HA -0.164 4.190 4.350 0.006 0.000 0.192 542 E C 2.283 178.831 176.600 -0.086 0.000 0.984 542 E CA 1.021 57.386 56.400 -0.059 0.000 0.806 542 E CB -0.436 29.181 29.700 -0.138 0.000 0.750 542 E HN 0.381 nan 8.360 nan 0.000 0.458 543 F N 1.312 121.275 119.950 0.022 0.000 2.134 543 F HA -0.149 4.382 4.527 0.006 0.000 0.299 543 F C 2.464 178.279 175.800 0.024 0.000 1.097 543 F CA 1.160 59.174 58.000 0.023 0.000 1.264 543 F CB -0.770 38.242 39.000 0.020 0.000 1.001 543 F HN 0.002 nan 8.300 nan 0.000 0.479 544 A N -0.084 122.857 122.820 0.201 0.000 1.933 544 A HA -0.212 4.112 4.320 0.006 0.000 0.218 544 A C 2.223 179.858 177.584 0.085 0.000 1.175 544 A CA 1.710 53.819 52.037 0.120 0.000 0.628 544 A CB -0.608 18.440 19.000 0.080 0.000 0.814 544 A HN 0.350 nan 8.150 nan 0.000 0.444 545 K N -0.413 120.024 120.400 0.062 0.000 2.057 545 K HA -0.092 4.232 4.320 0.006 0.000 0.207 545 K C 1.727 178.358 176.600 0.050 0.000 1.049 545 K CA 1.219 57.532 56.287 0.043 0.000 0.931 545 K CB -0.103 32.410 32.500 0.022 0.000 0.714 545 K HN 0.141 nan 8.250 nan 0.000 0.440 546 K N 0.509 120.939 120.400 0.050 0.000 2.442 546 K HA 0.005 4.329 4.320 0.006 0.000 0.198 546 K C 1.516 178.169 176.600 0.089 0.000 1.042 546 K CA 0.947 57.268 56.287 0.056 0.000 0.958 546 K CB 0.062 32.586 32.500 0.040 0.000 0.766 546 K HN 0.268 nan 8.250 nan 0.000 0.474 547 M N 0.473 120.137 119.600 0.107 0.000 2.505 547 M HA 0.032 4.516 4.480 0.006 0.000 0.230 547 M C -0.419 175.954 176.300 0.122 0.000 1.153 547 M CA 0.078 55.446 55.300 0.114 0.000 0.997 547 M CB 0.089 32.759 32.600 0.116 0.000 1.606 547 M HN 0.051 nan 8.290 nan 0.000 0.481 548 N N -0.060 118.706 118.700 0.109 0.000 2.948 548 N HA -0.132 4.612 4.740 0.006 0.000 0.239 548 N C -0.512 175.056 175.510 0.097 0.000 0.954 548 N CA 0.675 53.803 53.050 0.130 0.000 0.941 548 N CB -1.581 37.041 38.487 0.224 0.000 1.101 548 N HN 0.369 nan 8.380 nan 0.000 0.579 549 L N 1.192 122.451 121.223 0.061 0.000 2.397 549 L HA 0.445 4.789 4.340 0.006 0.000 0.271 549 L C 1.207 178.083 176.870 0.011 0.000 1.148 549 L CA 0.339 55.188 54.840 0.017 0.000 0.825 549 L CB 0.481 42.550 42.059 0.016 0.000 1.117 549 L HN 0.282 nan 8.230 nan 0.000 0.456 550 E N 0.902 121.094 120.200 -0.014 0.000 2.264 550 E HA 0.545 4.899 4.350 0.006 0.000 0.260 550 E C 0.457 177.047 176.600 -0.016 0.000 0.961 550 E CA -0.145 56.250 56.400 -0.009 0.000 0.834 550 E CB 0.963 30.656 29.700 -0.012 0.000 1.230 550 E HN 0.767 nan 8.360 nan 0.000 0.412 551 E N -1.294 118.901 120.200 -0.010 0.000 2.269 551 E HA -0.041 4.312 4.350 0.006 0.000 0.223 551 E C 0.177 176.771 176.600 -0.011 0.000 1.244 551 E CA 0.797 57.190 56.400 -0.012 0.000 0.713 551 E CB -2.796 26.892 29.700 -0.020 0.000 1.178 551 E HN 1.334 nan 8.360 nan 0.000 0.370 552 V N 0.698 120.608 119.914 -0.007 0.000 2.521 552 V HA 0.422 4.546 4.120 0.006 0.000 0.286 552 V C 0.645 176.728 176.094 -0.018 0.000 1.034 552 V CA 0.409 62.705 62.300 -0.006 0.000 1.045 552 V CB 1.190 33.013 31.823 -0.001 0.000 0.974 552 V HN 0.594 nan 8.190 nan 0.000 0.480 553 E N 3.397 123.590 120.200 -0.013 0.000 2.246 553 E HA 0.404 4.758 4.350 0.006 0.000 0.266 553 E C -1.244 175.336 176.600 -0.033 0.000 0.880 553 E CA -0.814 55.568 56.400 -0.030 0.000 0.762 553 E CB 2.565 32.255 29.700 -0.016 0.000 1.180 553 E HN 0.424 nan 8.360 nan 0.000 0.416 554 V N 4.814 124.687 119.914 -0.069 0.000 2.521 554 V HA 0.029 4.153 4.120 0.006 0.000 0.286 554 V C 1.119 177.177 176.094 -0.061 0.000 1.034 554 V CA 0.624 62.883 62.300 -0.069 0.000 1.045 554 V CB 0.081 31.838 31.823 -0.111 0.000 0.974 554 V HN 0.683 nan 8.190 nan 0.000 0.480 555 I N 1.045 121.583 120.570 -0.054 0.000 4.327 555 I HA 0.509 4.683 4.170 0.006 0.000 0.331 555 I C 0.398 176.463 176.117 -0.086 0.000 1.348 555 I CA 0.039 61.295 61.300 -0.073 0.000 1.152 555 I CB 0.592 38.539 38.000 -0.088 0.000 1.151 555 I HN 0.586 nan 8.210 nan 0.000 0.410 556 N N 1.642 120.301 118.700 -0.067 0.000 2.367 556 N HA 0.524 5.268 4.740 0.006 0.000 0.278 556 N C -1.593 173.892 175.510 -0.041 0.000 1.117 556 N CA -0.498 52.515 53.050 -0.062 0.000 0.867 556 N CB 1.963 40.407 38.487 -0.072 0.000 1.649 556 N HN 0.130 nan 8.380 nan 0.000 0.479 557 R N 1.336 121.816 120.500 -0.033 0.000 2.514 557 R HA 0.477 4.821 4.340 0.006 0.000 0.296 557 R C -1.122 175.171 176.300 -0.011 0.000 1.012 557 R CA -0.646 55.442 56.100 -0.021 0.000 0.897 557 R CB 1.984 32.272 30.300 -0.020 0.000 1.184 557 R HN 0.450 nan 8.270 nan 0.000 0.440 558 E N 1.920 122.121 120.200 0.001 0.000 2.256 558 E HA 0.274 4.628 4.350 0.006 0.000 0.268 558 E C -0.874 175.742 176.600 0.026 0.000 0.877 558 E CA -0.932 55.475 56.400 0.012 0.000 0.757 558 E CB 2.969 32.678 29.700 0.015 0.000 1.183 558 E HN 0.141 nan 8.360 nan 0.000 0.418 559 V N 5.197 125.126 119.914 0.024 0.000 2.427 559 V HA -0.021 4.103 4.120 0.006 0.000 0.268 559 V C 1.152 177.280 176.094 0.056 0.000 1.046 559 V CA 0.099 62.419 62.300 0.034 0.000 0.970 559 V CB 0.670 32.507 31.823 0.023 0.000 1.001 559 V HN 0.787 nan 8.190 nan 0.000 0.476 560 M N 2.240 121.899 119.600 0.098 0.000 2.081 560 M HA 0.081 4.565 4.480 0.006 0.000 0.261 560 M C 0.803 177.157 176.300 0.090 0.000 1.075 560 M CA 1.549 56.924 55.300 0.125 0.000 1.133 560 M CB -0.379 32.376 32.600 0.259 0.000 1.330 560 M HN 0.667 nan 8.290 nan 0.000 0.414 561 Q N -0.184 119.674 119.800 0.096 0.000 2.418 561 Q HA 0.137 4.481 4.340 0.006 0.000 0.282 561 Q C 0.128 176.157 176.000 0.048 0.000 1.044 561 Q CA -0.046 55.793 55.803 0.061 0.000 0.813 561 Q CB 2.493 31.266 28.738 0.057 0.000 1.428 561 Q HN 0.398 nan 8.270 nan 0.000 0.402 562 E N 1.787 122.006 120.200 0.031 0.000 2.065 562 E HA -0.279 4.074 4.350 0.006 0.000 0.201 562 E C 1.020 177.632 176.600 0.019 0.000 1.016 562 E CA 2.320 58.733 56.400 0.022 0.000 0.818 562 E CB 0.134 29.844 29.700 0.017 0.000 0.749 562 E HN 0.622 nan 8.360 nan 0.000 0.453 563 A N 0.324 123.159 122.820 0.025 0.000 1.956 563 A HA -0.029 4.295 4.320 0.006 0.000 0.212 563 A C 1.947 179.552 177.584 0.036 0.000 1.188 563 A CA 0.657 52.708 52.037 0.024 0.000 0.675 563 A CB -0.136 18.878 19.000 0.024 0.000 0.845 563 A HN 0.180 nan 8.150 nan 0.000 0.455 564 E N -0.103 120.135 120.200 0.062 0.000 2.150 564 E HA 0.156 4.510 4.350 0.006 0.000 0.193 564 E C 1.030 177.723 176.600 0.155 0.000 0.985 564 E CA 1.078 57.545 56.400 0.111 0.000 0.814 564 E CB -0.155 29.621 29.700 0.127 0.000 0.752 564 E HN 0.608 nan 8.360 nan 0.000 0.466 565 G N -0.882 107.972 108.800 0.091 0.000 2.321 565 G HA2 0.256 4.220 3.960 0.006 0.000 0.298 565 G HA3 0.256 4.220 3.960 0.006 0.000 0.298 565 G C -1.247 173.595 174.900 -0.097 0.000 1.385 565 G CA -0.575 44.455 45.100 -0.117 0.000 0.856 565 G HN -0.054 nan 8.290 nan 0.000 0.584 566 T N 0.038 114.389 114.554 -0.338 0.000 2.916 566 T HA 0.597 4.951 4.350 0.006 0.000 0.298 566 T C -0.122 174.511 174.700 -0.112 0.000 1.031 566 T CA -0.721 61.301 62.100 -0.129 0.000 0.993 566 T CB 2.071 70.877 68.868 -0.103 0.000 1.045 566 T HN 0.726 nan 8.240 nan 0.000 0.454 567 R N 3.132 123.662 120.500 0.051 0.000 2.308 567 R HA 0.525 4.868 4.340 0.006 0.000 0.305 567 R C -0.935 175.374 176.300 0.016 0.000 1.053 567 R CA -0.393 55.755 56.100 0.080 0.000 0.957 567 R CB 0.296 30.660 30.300 0.107 0.000 1.022 567 R HN 0.455 nan 8.270 nan 0.000 0.461 568 I N 3.802 124.376 120.570 0.007 0.000 2.498 568 I HA 0.294 4.468 4.170 0.006 0.000 0.290 568 I C -0.584 175.535 176.117 0.004 0.000 1.032 568 I CA -0.656 60.639 61.300 -0.008 0.000 1.073 568 I CB 2.050 40.039 38.000 -0.019 0.000 1.251 568 I HN 0.743 nan 8.210 nan 0.000 0.426 569 E N 6.170 126.367 120.200 -0.005 0.000 2.187 569 E HA 0.694 5.048 4.350 0.006 0.000 0.268 569 E C -1.433 175.169 176.600 0.004 0.000 0.896 569 E CA -0.721 55.682 56.400 0.006 0.000 0.766 569 E CB 2.775 32.471 29.700 -0.006 0.000 1.142 569 E HN 0.277 nan 8.360 nan 0.000 0.408 570 L N 2.346 123.588 121.223 0.031 0.000 2.370 570 L HA 0.479 4.823 4.340 0.006 0.000 0.266 570 L C -0.342 176.581 176.870 0.088 0.000 1.002 570 L CA -0.892 53.970 54.840 0.036 0.000 0.818 570 L CB 1.440 43.515 42.059 0.028 0.000 1.325 570 L HN 0.427 nan 8.230 nan 0.000 0.418 571 K N 0.202 120.664 120.400 0.103 0.000 2.166 571 K HA 0.980 5.304 4.320 0.006 0.000 0.245 571 K C -0.424 176.213 176.600 0.063 0.000 0.967 571 K CA -0.763 55.617 56.287 0.154 0.000 0.863 571 K CB 2.218 34.895 32.500 0.295 0.000 1.107 571 K HN 0.699 nan 8.250 nan 0.000 0.436 572 G N 0.681 109.494 108.800 0.021 0.000 2.623 572 G HA2 0.386 4.350 3.960 0.006 0.000 0.290 572 G HA3 0.386 4.350 3.960 0.006 0.000 0.290 572 G C -1.929 172.929 174.900 -0.070 0.000 1.437 572 G CA -1.111 43.978 45.100 -0.017 0.000 0.798 572 G HN 0.668 nan 8.290 nan 0.000 0.488 573 R N 0.344 120.794 120.500 -0.083 0.000 2.494 573 R HA 0.651 4.995 4.340 0.006 0.000 0.305 573 R C -0.884 175.317 176.300 -0.164 0.000 0.959 573 R CA -0.528 55.493 56.100 -0.132 0.000 0.864 573 R CB 1.903 32.134 30.300 -0.115 0.000 1.159 573 R HN 0.336 nan 8.270 nan 0.000 0.446 574 V N 7.007 126.766 119.914 -0.257 0.000 2.530 574 V HA 0.199 4.323 4.120 0.006 0.000 0.282 574 V C -1.598 174.224 176.094 -0.453 0.000 1.048 574 V CA -1.361 60.662 62.300 -0.462 0.000 0.997 574 V CB 1.520 32.971 31.823 -0.619 0.000 0.987 574 V HN 0.863 nan 8.190 nan 0.000 0.477 575 P HA 0.110 nan 4.420 nan 0.000 0.240 575 P C -0.282 176.998 177.300 -0.033 0.000 1.190 575 P CA 0.488 63.515 63.100 -0.122 0.000 0.781 575 P CB 0.117 31.858 31.700 0.069 0.000 0.931 576 F N -1.486 118.483 119.950 0.032 0.000 2.598 576 F HA 0.765 5.293 4.527 0.002 0.000 0.327 576 F C 0.272 176.113 175.800 0.069 0.000 1.057 576 F CA -1.574 56.455 58.000 0.048 0.000 0.957 576 F CB 0.527 39.548 39.000 0.035 0.000 1.278 576 F HN -0.335 nan 8.300 nan 0.000 0.484 577 S N 1.182 117.074 115.700 0.320 0.000 2.704 577 S HA 0.809 5.283 4.470 0.006 0.000 0.305 577 S C -1.084 173.674 174.600 0.265 0.000 1.107 577 S CA -0.710 57.653 58.200 0.271 0.000 0.993 577 S CB 1.893 65.273 63.200 0.300 0.000 1.110 577 S HN 0.548 nan 8.310 nan 0.000 0.534 578 I N 1.378 122.064 120.570 0.193 0.000 2.569 578 I HA 0.453 4.627 4.170 0.006 0.000 0.296 578 I C -0.715 175.448 176.117 0.076 0.000 1.028 578 I CA -0.802 60.577 61.300 0.131 0.000 1.082 578 I CB 1.809 39.884 38.000 0.125 0.000 1.264 578 I HN 0.799 nan 8.210 nan 0.000 0.429 579 D N 5.500 125.925 120.400 0.040 0.000 2.313 579 D HA 0.224 4.868 4.640 0.006 0.000 0.239 579 D C 1.207 177.515 176.300 0.012 0.000 1.142 579 D CA -0.367 53.640 54.000 0.011 0.000 0.847 579 D CB 1.023 41.821 40.800 -0.005 0.000 1.082 579 D HN 0.194 nan 8.370 nan 0.000 0.480 580 I N 3.486 124.062 120.570 0.010 0.000 2.335 580 I HA -0.255 3.919 4.170 0.006 0.000 0.251 580 I C 1.569 177.687 176.117 0.002 0.000 1.129 580 I CA 0.831 62.136 61.300 0.009 0.000 1.402 580 I CB -0.822 37.182 38.000 0.006 0.000 1.069 580 I HN 0.481 nan 8.210 nan 0.000 0.424 581 N N 0.422 119.119 118.700 -0.004 0.000 2.396 581 N HA -0.074 4.669 4.740 0.006 0.000 0.180 581 N C 1.891 177.398 175.510 -0.005 0.000 1.028 581 N CA 0.787 53.833 53.050 -0.007 0.000 0.893 581 N CB -0.221 38.259 38.487 -0.012 0.000 0.967 581 N HN 0.242 nan 8.380 nan 0.000 0.440 582 S N 0.788 116.486 115.700 -0.003 0.000 2.419 582 S HA 0.026 4.500 4.470 0.006 0.000 0.233 582 S C 0.935 175.535 174.600 -0.001 0.000 1.016 582 S CA 0.282 58.480 58.200 -0.003 0.000 0.974 582 S CB -0.063 63.136 63.200 -0.001 0.000 0.786 582 S HN 0.264 nan 8.310 nan 0.000 0.492 583 L N 2.334 123.559 121.223 0.003 0.000 2.410 583 L HA 0.167 4.511 4.340 0.006 0.000 0.273 583 L C -0.419 176.452 176.870 0.001 0.000 1.152 583 L CA -0.377 54.466 54.840 0.004 0.000 0.855 583 L CB 0.493 42.557 42.059 0.008 0.000 1.129 583 L HN -0.035 nan 8.230 nan 0.000 0.463 584 V N 6.023 125.938 119.914 0.001 0.000 2.334 584 V HA 0.324 4.448 4.120 0.006 0.000 0.267 584 V C 0.266 176.360 176.094 0.001 0.000 1.040 584 V CA -0.113 62.187 62.300 -0.001 0.000 0.866 584 V CB 0.971 32.792 31.823 -0.002 0.000 1.019 584 V HN 0.473 nan 8.190 nan 0.000 0.468 585 I N 7.177 127.747 120.570 0.000 0.000 2.382 585 I HA 0.382 4.556 4.170 0.006 0.000 0.285 585 I C -1.813 174.304 176.117 0.000 0.000 1.007 585 I CA -1.724 59.577 61.300 0.001 0.000 1.142 585 I CB 1.807 39.808 38.000 0.001 0.000 1.289 585 I HN 0.449 nan 8.210 nan 0.000 0.453 586 P HA 0.182 nan 4.420 nan 0.000 0.269 586 P C -2.274 175.027 177.300 0.001 0.000 1.211 586 P CA -0.537 62.563 63.100 0.001 0.000 0.781 586 P CB -0.418 31.283 31.700 0.002 0.000 0.877 592 L N 5.599 126.824 121.223 0.004 0.000 2.360 592 L HA 0.424 4.768 4.340 0.006 0.000 0.276 592 L C 0.679 177.539 176.870 -0.017 0.000 1.121 592 L CA -0.013 54.819 54.840 -0.013 0.000 0.845 592 L CB 0.974 43.015 42.059 -0.031 0.000 1.143 592 L HN 0.782 nan 8.230 nan 0.000 0.452 593 S N 1.421 117.114 115.700 -0.012 0.000 2.614 593 S HA 0.264 4.738 4.470 0.006 0.000 0.265 593 S C 1.199 175.798 174.600 -0.002 0.000 1.303 593 S CA -0.057 58.143 58.200 0.000 0.000 1.000 593 S CB 1.514 64.718 63.200 0.007 0.000 0.935 593 S HN 0.691 nan 8.310 nan 0.000 0.551 594 E N 0.877 121.106 120.200 0.049 0.000 2.118 594 E HA -0.198 4.156 4.350 0.006 0.000 0.195 594 E C 1.410 178.080 176.600 0.117 0.000 0.992 594 E CA 1.928 58.410 56.400 0.136 0.000 0.804 594 E CB -1.432 28.419 29.700 0.251 0.000 0.741 594 E HN 0.829 nan 8.360 nan 0.000 0.458 595 D N -0.209 120.236 120.400 0.075 0.000 2.117 595 D HA -0.026 4.618 4.640 0.006 0.000 0.197 595 D C 2.339 178.660 176.300 0.034 0.000 0.987 595 D CA 2.040 56.075 54.000 0.058 0.000 0.829 595 D CB -0.261 40.561 40.800 0.038 0.000 0.961 595 D HN 0.654 nan 8.370 nan 0.000 0.460 596 E N 0.820 121.026 120.200 0.010 0.000 2.072 596 E HA -0.116 4.238 4.350 0.006 0.000 0.191 596 E C 2.046 178.631 176.600 -0.026 0.000 0.985 596 E CA 0.775 57.171 56.400 -0.007 0.000 0.801 596 E CB -0.642 29.049 29.700 -0.016 0.000 0.750 596 E HN 0.136 nan 8.360 nan 0.000 0.452 597 I N 0.688 121.218 120.570 -0.066 0.000 2.163 597 I HA -0.209 3.964 4.170 0.006 0.000 0.243 597 I C 2.692 178.782 176.117 -0.044 0.000 1.085 597 I CA 1.941 63.160 61.300 -0.135 0.000 1.347 597 I CB -1.059 36.705 38.000 -0.395 0.000 1.044 597 I HN 0.331 nan 8.210 nan 0.000 0.408 598 R N 0.986 121.518 120.500 0.053 0.000 2.073 598 R HA -0.190 4.153 4.340 0.006 0.000 0.234 598 R C 2.490 178.826 176.300 0.060 0.000 1.134 598 R CA 2.192 58.367 56.100 0.124 0.000 0.952 598 R CB -0.216 30.186 30.300 0.171 0.000 0.850 598 R HN 0.458 nan 8.270 nan 0.000 0.433 599 E N 1.171 121.393 120.200 0.037 0.000 2.085 599 E HA -0.259 4.095 4.350 0.006 0.000 0.194 599 E C 1.653 178.260 176.600 0.012 0.000 0.994 599 E CA 1.611 58.024 56.400 0.022 0.000 0.801 599 E CB -1.032 28.677 29.700 0.015 0.000 0.743 599 E HN 0.613 nan 8.360 nan 0.000 0.453 600 D N -0.225 120.175 120.400 0.001 0.000 2.149 600 D HA -0.104 4.540 4.640 0.006 0.000 0.198 600 D C 1.996 178.294 176.300 -0.003 0.000 0.990 600 D CA 1.389 55.384 54.000 -0.008 0.000 0.839 600 D CB -0.028 40.757 40.800 -0.025 0.000 0.948 600 D HN 0.506 nan 8.370 nan 0.000 0.460 601 I N 0.811 121.385 120.570 0.007 0.000 2.584 601 I HA -0.101 4.073 4.170 0.006 0.000 0.255 601 I C 2.892 179.023 176.117 0.023 0.000 1.145 601 I CA 1.036 62.346 61.300 0.017 0.000 1.462 601 I CB -0.254 37.767 38.000 0.035 0.000 1.102 601 I HN 0.003 nan 8.210 nan 0.000 0.433 602 E N 1.717 121.932 120.200 0.026 0.000 2.077 602 E HA -0.248 4.106 4.350 0.006 0.000 0.193 602 E C 2.089 178.698 176.600 0.015 0.000 0.989 602 E CA 1.566 57.979 56.400 0.022 0.000 0.800 602 E CB -0.591 29.123 29.700 0.023 0.000 0.746 602 E HN 0.529 nan 8.360 nan 0.000 0.452 603 K N -0.445 119.962 120.400 0.011 0.000 2.103 603 K HA 0.021 4.344 4.320 0.006 0.000 0.204 603 K C 0.305 176.909 176.600 0.006 0.000 1.052 603 K CA 1.265 57.557 56.287 0.008 0.000 0.945 603 K CB 0.393 32.896 32.500 0.005 0.000 0.722 603 K HN 0.264 nan 8.250 nan 0.000 0.443 604 T N 2.945 117.503 114.554 0.005 0.000 2.991 604 T HA 0.260 4.614 4.350 0.006 0.000 0.347 604 T C -2.705 172.000 174.700 0.008 0.000 1.122 604 T CA -1.641 60.462 62.100 0.004 0.000 1.062 604 T CB 1.593 70.460 68.868 -0.002 0.000 1.043 604 T HN -0.157 nan 8.240 nan 0.000 0.491 605 P HA 0.089 nan 4.420 nan 0.000 0.264 605 P C -0.856 176.456 177.300 0.020 0.000 1.173 605 P CA -0.439 62.673 63.100 0.020 0.000 0.761 605 P CB 0.415 32.129 31.700 0.023 0.000 0.794 606 L N 3.184 124.423 121.223 0.027 0.000 2.446 606 L HA 0.435 4.778 4.340 0.006 0.000 0.268 606 L C -0.535 176.363 176.870 0.048 0.000 0.975 606 L CA -0.495 54.361 54.840 0.027 0.000 0.848 606 L CB 1.187 43.254 42.059 0.014 0.000 1.225 606 L HN 0.165 nan 8.230 nan 0.000 0.410 607 K N 4.694 125.131 120.400 0.060 0.000 2.244 607 K HA 0.665 4.989 4.320 0.006 0.000 0.260 607 K C -1.439 175.225 176.600 0.107 0.000 0.951 607 K CA -0.622 55.727 56.287 0.103 0.000 0.826 607 K CB 1.515 34.089 32.500 0.123 0.000 1.108 607 K HN 0.567 nan 8.250 nan 0.000 0.433 608 I N 3.547 124.201 120.570 0.141 0.000 2.740 608 I HA 0.303 4.477 4.170 0.006 0.000 0.303 608 I C -0.911 175.308 176.117 0.169 0.000 1.044 608 I CA -0.818 60.560 61.300 0.129 0.000 1.064 608 I CB 2.146 40.213 38.000 0.111 0.000 1.249 608 I HN 0.426 nan 8.210 nan 0.000 0.433 609 V N 2.553 122.547 119.914 0.133 0.000 2.495 609 V HA 1.017 5.141 4.120 0.006 0.000 0.298 609 V C -0.500 175.669 176.094 0.125 0.000 1.031 609 V CA -0.566 61.815 62.300 0.135 0.000 0.871 609 V CB 1.130 33.000 31.823 0.079 0.000 0.988 609 V HN 0.884 nan 8.190 nan 0.000 0.432 610 A N 3.447 126.352 122.820 0.143 0.000 2.435 610 A HA 1.093 5.417 4.320 0.006 0.000 0.304 610 A C -0.196 177.437 177.584 0.082 0.000 1.064 610 A CA -0.200 51.930 52.037 0.156 0.000 0.727 610 A CB 1.864 21.007 19.000 0.238 0.000 1.284 610 A HN 2.578 nan 8.150 nan 0.000 0.415 611 A N 0.501 123.358 122.820 0.062 0.000 2.605 611 A HA 0.753 5.077 4.320 0.006 0.000 0.294 611 A C -0.496 177.115 177.584 0.045 0.000 1.062 611 A CA -0.399 51.612 52.037 -0.042 0.000 0.682 611 A CB 0.799 19.746 19.000 -0.088 0.000 1.278 611 A HN 0.930 nan 8.150 nan 0.000 0.410 612 T N 1.799 116.377 114.554 0.041 0.000 2.771 612 T HA 0.530 4.884 4.350 0.006 0.000 0.291 612 T C 0.395 175.116 174.700 0.035 0.000 0.954 612 T CA 0.023 62.164 62.100 0.069 0.000 1.045 612 T CB 0.512 69.442 68.868 0.104 0.000 0.917 612 T HN 1.482 nan 8.240 nan 0.000 0.484 613 V N 1.199 121.138 119.914 0.043 0.000 2.975 613 V HA 1.029 5.153 4.120 0.006 0.000 0.318 613 V C 0.824 176.941 176.094 0.038 0.000 1.077 613 V CA 0.137 62.457 62.300 0.032 0.000 1.000 613 V CB 0.645 32.490 31.823 0.036 0.000 1.066 613 V HN 1.155 nan 8.190 nan 0.000 0.452 614 G N 2.083 110.901 108.800 0.030 0.000 2.498 614 G HA2 -0.213 3.751 3.960 0.006 0.000 0.251 614 G HA3 -0.213 3.751 3.960 0.006 0.000 0.251 614 G C 0.120 175.038 174.900 0.031 0.000 1.170 614 G CA 0.492 45.612 45.100 0.033 0.000 0.944 614 G HN 0.995 nan 8.290 nan 0.000 0.567 615 E N 0.954 121.177 120.200 0.038 0.000 2.496 615 E HA 0.196 4.550 4.350 0.006 0.000 0.202 615 E C -0.507 176.122 176.600 0.048 0.000 1.021 615 E CA -0.247 56.173 56.400 0.035 0.000 1.015 615 E CB 0.374 30.093 29.700 0.032 0.000 1.102 615 E HN 0.338 nan 8.360 nan 0.000 0.452 616 D N 1.198 121.636 120.400 0.064 0.000 2.277 616 D HA 0.032 4.676 4.640 0.006 0.000 0.249 616 D C 0.540 176.893 176.300 0.090 0.000 1.134 616 D CA 0.086 54.151 54.000 0.108 0.000 0.863 616 D CB 1.067 41.935 40.800 0.114 0.000 1.143 616 D HN -0.066 nan 8.370 nan 0.000 0.458 617 E N 2.049 122.288 120.200 0.064 0.000 2.481 617 E HA -0.012 4.342 4.350 0.006 0.000 0.198 617 E C -0.228 176.340 176.600 -0.054 0.000 1.027 617 E CA -0.096 56.292 56.400 -0.020 0.000 0.900 617 E CB -0.004 29.646 29.700 -0.084 0.000 0.993 617 E HN 0.512 nan 8.360 nan 0.000 0.482 618 H N 0.650 119.736 119.070 0.026 0.000 3.160 618 H HA 0.031 4.591 4.556 0.006 0.000 0.257 618 H C 1.393 176.749 175.328 0.047 0.000 1.140 618 H CA 0.343 56.408 56.048 0.028 0.000 1.492 618 H CB 0.455 30.227 29.762 0.016 0.000 1.529 618 H HN -0.040 nan 8.280 nan 0.000 0.490 619 S N 1.272 117.045 115.700 0.122 0.000 2.517 619 S HA -0.026 4.448 4.470 0.006 0.000 0.214 619 S C 1.760 176.419 174.600 0.099 0.000 0.991 619 S CA 0.073 58.352 58.200 0.132 0.000 0.906 619 S CB 0.050 63.332 63.200 0.135 0.000 0.789 619 S HN 0.340 nan 8.310 nan 0.000 0.513 620 V N 2.486 122.450 119.914 0.084 0.000 2.358 620 V HA -0.019 4.105 4.120 0.006 0.000 0.246 620 V C 2.925 179.050 176.094 0.051 0.000 1.047 620 V CA 1.955 64.287 62.300 0.054 0.000 1.035 620 V CB -1.632 30.226 31.823 0.058 0.000 0.658 620 V HN 0.621 nan 8.190 nan 0.000 0.452 621 G N 0.135 108.975 108.800 0.067 0.000 2.491 621 G HA2 -0.303 3.661 3.960 0.006 0.000 0.218 621 G HA3 -0.303 3.661 3.960 0.006 0.000 0.218 621 G C 1.587 176.516 174.900 0.048 0.000 1.180 621 G CA 1.445 46.578 45.100 0.056 0.000 0.774 621 G HN 0.429 nan 8.290 nan 0.000 0.562 622 L N 0.722 121.983 121.223 0.063 0.000 2.027 622 L HA 0.086 4.430 4.340 0.006 0.000 0.206 622 L C 2.918 179.791 176.870 0.004 0.000 1.074 622 L CA 1.633 56.510 54.840 0.063 0.000 0.745 622 L CB -0.603 41.542 42.059 0.143 0.000 0.898 622 L HN 0.179 nan 8.230 nan 0.000 0.433 623 R N -0.604 119.871 120.500 -0.043 0.000 2.152 623 R HA -0.124 4.219 4.340 0.006 0.000 0.232 623 R C 1.997 178.256 176.300 -0.069 0.000 1.117 623 R CA 1.041 57.062 56.100 -0.131 0.000 0.981 623 R CB -0.378 29.817 30.300 -0.176 0.000 0.870 623 R HN 0.408 nan 8.270 nan 0.000 0.451 624 E N 0.524 120.716 120.200 -0.013 0.000 2.150 624 E HA -0.115 4.238 4.350 0.006 0.000 0.193 624 E C 1.900 178.511 176.600 0.019 0.000 0.985 624 E CA 1.437 57.851 56.400 0.024 0.000 0.814 624 E CB 0.075 29.810 29.700 0.058 0.000 0.752 624 E HN 0.323 nan 8.360 nan 0.000 0.466 625 V N -2.085 117.831 119.914 0.002 0.000 3.649 625 V HA 0.155 4.278 4.120 0.006 0.000 0.275 625 V C 1.601 177.686 176.094 -0.014 0.000 1.281 625 V CA 0.383 62.679 62.300 -0.007 0.000 1.143 625 V CB -0.337 31.463 31.823 -0.038 0.000 0.892 625 V HN 0.034 nan 8.190 nan 0.000 0.441 626 I N -0.960 119.591 120.570 -0.033 0.000 3.518 626 I HA 0.258 4.432 4.170 0.006 0.000 0.260 626 I C 0.418 176.494 176.117 -0.069 0.000 1.148 626 I CA -0.114 61.158 61.300 -0.046 0.000 1.440 626 I CB 0.054 38.008 38.000 -0.076 0.000 1.485 626 I HN 0.160 nan 8.210 nan 0.000 0.456 627 D N 2.146 122.489 120.400 -0.095 0.000 2.571 627 D HA -0.057 4.587 4.640 0.006 0.000 0.231 627 D C 1.073 177.312 176.300 -0.102 0.000 1.133 627 D CA 0.585 54.519 54.000 -0.110 0.000 0.862 627 D CB 1.108 41.834 40.800 -0.124 0.000 1.179 627 D HN 0.208 nan 8.370 nan 0.000 0.474 628 I N 2.043 122.545 120.570 -0.113 0.000 2.493 628 I HA -0.285 3.889 4.170 0.006 0.000 0.254 628 I C 2.090 178.132 176.117 -0.124 0.000 1.160 628 I CA 1.116 62.343 61.300 -0.122 0.000 1.445 628 I CB 0.159 38.087 38.000 -0.120 0.000 1.086 628 I HN 0.233 nan 8.210 nan 0.000 0.433 629 K N 1.246 121.550 120.400 -0.158 0.000 2.034 629 K HA -0.277 4.046 4.320 0.006 0.000 0.214 629 K C 1.020 177.504 176.600 -0.194 0.000 1.051 629 K CA 2.128 58.275 56.287 -0.233 0.000 0.931 629 K CB -0.588 31.688 32.500 -0.374 0.000 0.715 629 K HN 0.575 nan 8.250 nan 0.000 0.446 630 H N -1.690 117.347 119.070 -0.055 0.000 2.524 630 H HA 0.314 4.874 4.556 0.007 0.000 0.297 630 H C 0.074 175.371 175.328 -0.052 0.000 1.115 630 H CA -0.197 55.824 56.048 -0.045 0.000 1.027 630 H CB 0.397 30.142 29.762 -0.029 0.000 1.591 630 H HN 0.536 nan 8.280 nan 0.000 0.543 631 G N 0.790 109.599 108.800 0.015 0.000 2.182 631 G HA2 -0.249 3.715 3.960 0.006 0.000 0.248 631 G HA3 -0.249 3.715 3.960 0.006 0.000 0.248 631 G C 0.687 175.562 174.900 -0.040 0.000 1.042 631 G CA -0.047 45.025 45.100 -0.048 0.000 0.775 631 G HN 0.677 nan 8.290 nan 0.000 0.501 632 G N -0.423 108.351 108.800 -0.043 0.000 2.667 632 G HA2 0.535 4.498 3.960 0.006 0.000 0.250 632 G HA3 0.535 4.498 3.960 0.006 0.000 0.250 632 G C 1.519 176.409 174.900 -0.017 0.000 1.212 632 G CA -0.220 44.868 45.100 -0.020 0.000 0.874 632 G HN 1.188 nan 8.290 nan 0.000 0.561 633 I N -2.388 118.213 120.570 0.052 0.000 2.567 633 I HA -0.099 4.075 4.170 0.006 0.000 0.257 633 I C 1.865 178.027 176.117 0.073 0.000 1.184 633 I CA 1.539 62.929 61.300 0.150 0.000 1.451 633 I CB -0.296 37.778 38.000 0.123 0.000 1.089 633 I HN 0.599 nan 8.210 nan 0.000 0.441 634 E N 2.356 122.548 120.200 -0.014 0.000 2.147 634 E HA -0.272 4.082 4.350 0.006 0.000 0.199 634 E C 2.070 178.613 176.600 -0.097 0.000 1.005 634 E CA 2.158 58.529 56.400 -0.048 0.000 0.810 634 E CB -0.134 29.521 29.700 -0.074 0.000 0.736 634 E HN 0.751 nan 8.360 nan 0.000 0.460 635 K N -0.416 119.856 120.400 -0.213 0.000 2.442 635 K HA -0.136 4.188 4.320 0.006 0.000 0.198 635 K C 0.787 177.148 176.600 -0.399 0.000 1.042 635 K CA 1.153 57.232 56.287 -0.346 0.000 0.958 635 K CB -0.016 32.193 32.500 -0.486 0.000 0.766 635 K HN 0.171 nan 8.250 nan 0.000 0.474 636 Y N 0.225 120.516 120.300 -0.015 0.000 2.458 636 Y HA 0.308 4.862 4.550 0.006 0.000 0.256 636 Y C 1.321 177.215 175.900 -0.009 0.000 1.159 636 Y CA -0.130 57.964 58.100 -0.010 0.000 1.261 636 Y CB 1.051 39.507 38.460 -0.007 0.000 1.119 636 Y HN 0.321 nan 8.280 nan 0.000 0.524 637 G N -0.062 108.785 108.800 0.078 0.000 2.157 637 G HA2 -0.264 3.700 3.960 0.006 0.000 0.239 637 G HA3 -0.264 3.700 3.960 0.006 0.000 0.239 637 G C -0.057 174.872 174.900 0.048 0.000 0.982 637 G CA 0.013 45.141 45.100 0.047 0.000 0.650 637 G HN 0.092 nan 8.290 nan 0.000 0.527 638 V N 1.029 120.983 119.914 0.067 0.000 2.673 638 V HA 0.244 4.368 4.120 0.006 0.000 0.303 638 V C 1.000 177.112 176.094 0.030 0.000 1.046 638 V CA 0.362 62.695 62.300 0.055 0.000 1.126 638 V CB 1.564 33.430 31.823 0.071 0.000 0.934 638 V HN 0.441 nan 8.190 nan 0.000 0.487 639 E N 3.773 123.992 120.200 0.032 0.000 2.194 639 E HA 0.389 4.743 4.350 0.006 0.000 0.284 639 E C -1.295 175.314 176.600 0.015 0.000 1.035 639 E CA -0.391 56.013 56.400 0.007 0.000 0.836 639 E CB 1.306 31.027 29.700 0.036 0.000 1.070 639 E HN 0.515 nan 8.360 nan 0.000 0.401 640 V N 5.957 125.836 119.914 -0.058 0.000 2.409 640 V HA 0.186 4.310 4.120 0.006 0.000 0.291 640 V C -0.428 175.599 176.094 -0.111 0.000 1.020 640 V CA -0.746 61.549 62.300 -0.008 0.000 0.848 640 V CB 1.445 33.275 31.823 0.012 0.000 0.990 640 V HN 0.679 nan 8.190 nan 0.000 0.430 641 H N 4.765 123.886 119.070 0.086 0.000 2.641 641 H HA 0.255 4.815 4.556 0.006 0.000 0.295 641 H C -1.232 174.173 175.328 0.128 0.000 1.070 641 H CA -0.260 55.841 56.048 0.088 0.000 1.257 641 H CB 1.257 31.050 29.762 0.052 0.000 1.393 641 H HN 0.680 nan 8.280 nan 0.000 0.464 642 Y N 4.156 124.499 120.300 0.072 0.000 2.341 642 Y HA 0.156 4.710 4.550 0.006 0.000 0.340 642 Y C 0.224 176.157 175.900 0.055 0.000 0.997 642 Y CA -0.650 57.481 58.100 0.051 0.000 1.149 642 Y CB 0.638 39.110 38.460 0.019 0.000 1.171 642 Y HN 0.529 nan 8.280 nan 0.000 0.494 643 L N 6.002 126.944 121.223 -0.470 0.000 2.607 643 L HA 0.358 4.702 4.340 0.006 0.000 0.228 643 L C 1.190 177.741 176.870 -0.532 0.000 1.123 643 L CA 0.450 55.074 54.840 -0.359 0.000 0.890 643 L CB -0.693 41.258 42.059 -0.180 0.000 1.103 643 L HN 1.028 nan 8.230 nan 0.000 0.468 644 G N 0.770 108.852 108.800 -1.196 0.000 2.545 644 G HA2 -0.217 3.747 3.960 0.006 0.000 0.216 644 G HA3 -0.217 3.747 3.960 0.006 0.000 0.216 644 G C -0.129 174.576 174.900 -0.326 0.000 1.314 644 G CA -0.291 44.399 45.100 -0.683 0.000 0.906 644 G HN 0.222 nan 8.290 nan 0.000 0.563 645 T N -3.272 111.226 114.554 -0.093 0.000 2.949 645 T HA 0.688 5.042 4.350 0.006 0.000 0.287 645 T C 0.813 175.501 174.700 -0.021 0.000 1.034 645 T CA 0.824 62.914 62.100 -0.016 0.000 1.018 645 T CB 1.620 70.513 68.868 0.041 0.000 1.135 645 T HN 2.299 nan 8.240 nan 0.000 0.532 646 S N -0.381 115.321 115.700 0.004 0.000 3.559 646 S HA -0.103 4.370 4.470 0.006 0.000 0.369 646 S C 0.082 174.676 174.600 -0.010 0.000 0.987 646 S CA 0.272 58.475 58.200 0.005 0.000 1.187 646 S CB -1.719 61.483 63.200 0.005 0.000 0.914 646 S HN 0.793 nan 8.310 nan 0.000 0.480 647 V N 2.442 122.344 119.914 -0.019 0.000 2.406 647 V HA 0.287 4.411 4.120 0.006 0.000 0.272 647 V C -1.782 174.308 176.094 -0.006 0.000 1.043 647 V CA -1.816 60.468 62.300 -0.026 0.000 0.915 647 V CB 1.055 32.847 31.823 -0.052 0.000 0.988 647 V HN 0.113 nan 8.190 nan 0.000 0.466 648 P HA 0.027 nan 4.420 nan 0.000 0.268 648 P C 1.082 178.387 177.300 0.008 0.000 1.205 648 P CA -0.031 63.073 63.100 0.005 0.000 0.771 648 P CB 0.663 32.365 31.700 0.003 0.000 0.858 649 V N 1.428 121.351 119.914 0.016 0.000 2.469 649 V HA -0.255 3.868 4.120 0.006 0.000 0.251 649 V C 1.840 177.943 176.094 0.015 0.000 1.064 649 V CA 2.083 64.395 62.300 0.021 0.000 1.066 649 V CB -1.407 30.434 31.823 0.030 0.000 0.667 649 V HN 0.549 nan 8.190 nan 0.000 0.461 650 E N 1.199 121.405 120.200 0.010 0.000 2.150 650 E HA -0.264 4.090 4.350 0.006 0.000 0.193 650 E C 2.162 178.763 176.600 0.001 0.000 0.985 650 E CA 1.379 57.782 56.400 0.006 0.000 0.814 650 E CB -0.100 29.602 29.700 0.004 0.000 0.752 650 E HN 0.723 nan 8.360 nan 0.000 0.466 651 K N 0.471 120.870 120.400 -0.001 0.000 2.097 651 K HA -0.153 4.171 4.320 0.006 0.000 0.205 651 K C 1.991 178.586 176.600 -0.008 0.000 1.050 651 K CA 1.025 57.308 56.287 -0.007 0.000 0.938 651 K CB -0.370 32.123 32.500 -0.011 0.000 0.718 651 K HN 0.191 nan 8.250 nan 0.000 0.442 652 L N 0.344 121.565 121.223 -0.002 0.000 2.056 652 L HA -0.033 4.310 4.340 0.006 0.000 0.207 652 L C 1.914 178.790 176.870 0.010 0.000 1.078 652 L CA 1.443 56.285 54.840 0.003 0.000 0.749 652 L CB -0.381 41.686 42.059 0.013 0.000 0.901 652 L HN 0.104 nan 8.230 nan 0.000 0.433 653 V N -0.339 119.581 119.914 0.011 0.000 2.453 653 V HA -0.201 3.923 4.120 0.006 0.000 0.247 653 V C 2.174 178.269 176.094 0.002 0.000 1.048 653 V CA 1.690 63.997 62.300 0.011 0.000 1.049 653 V CB -0.756 31.073 31.823 0.011 0.000 0.672 653 V HN 0.407 nan 8.190 nan 0.000 0.457 654 D N 0.628 121.026 120.400 -0.003 0.000 2.149 654 D HA -0.060 4.584 4.640 0.006 0.000 0.201 654 D C 2.237 178.527 176.300 -0.016 0.000 0.972 654 D CA 1.509 55.504 54.000 -0.009 0.000 0.835 654 D CB -0.194 40.601 40.800 -0.009 0.000 0.966 654 D HN 0.428 nan 8.370 nan 0.000 0.476 655 A N 1.109 123.919 122.820 -0.017 0.000 1.930 655 A HA -0.022 4.301 4.320 0.006 0.000 0.217 655 A C 2.312 179.875 177.584 -0.036 0.000 1.175 655 A CA 1.919 53.939 52.037 -0.029 0.000 0.627 655 A CB -0.588 18.398 19.000 -0.025 0.000 0.815 655 A HN 0.219 nan 8.150 nan 0.000 0.443 656 A N -0.014 122.796 122.820 -0.015 0.000 1.940 656 A HA -0.104 4.220 4.320 0.006 0.000 0.219 656 A C 2.090 179.663 177.584 -0.018 0.000 1.176 656 A CA 1.628 53.660 52.037 -0.009 0.000 0.631 656 A CB -0.576 18.433 19.000 0.015 0.000 0.814 656 A HN 0.509 nan 8.150 nan 0.000 0.446 657 I N -0.393 120.168 120.570 -0.016 0.000 2.233 657 I HA -0.143 4.030 4.170 0.006 0.000 0.243 657 I C 3.039 179.139 176.117 -0.028 0.000 1.093 657 I CA 1.417 62.707 61.300 -0.017 0.000 1.380 657 I CB -0.622 37.370 38.000 -0.013 0.000 1.067 657 I HN 0.482 nan 8.210 nan 0.000 0.413 658 E N 1.229 121.408 120.200 -0.035 0.000 2.118 658 E HA -0.162 4.192 4.350 0.006 0.000 0.195 658 E C 1.908 178.471 176.600 -0.063 0.000 0.992 658 E CA 1.482 57.856 56.400 -0.042 0.000 0.804 658 E CB -0.903 28.772 29.700 -0.042 0.000 0.741 658 E HN 0.583 nan 8.360 nan 0.000 0.458 659 L N -0.084 121.085 121.223 -0.090 0.000 2.607 659 L HA 0.140 4.484 4.340 0.006 0.000 0.228 659 L C 0.502 177.320 176.870 -0.085 0.000 1.123 659 L CA 0.346 55.104 54.840 -0.137 0.000 0.890 659 L CB 0.049 41.943 42.059 -0.276 0.000 1.103 659 L HN 0.340 nan 8.230 nan 0.000 0.468 660 K N -0.328 120.042 120.400 -0.049 0.000 3.311 660 K HA -0.220 4.104 4.320 0.006 0.000 0.270 660 K C 0.253 176.843 176.600 -0.016 0.000 0.927 660 K CA 0.432 56.705 56.287 -0.024 0.000 0.706 660 K CB -2.062 30.428 32.500 -0.016 0.000 1.418 660 K HN 0.226 nan 8.250 nan 0.000 0.459 661 A N 1.092 123.901 122.820 -0.017 0.000 2.483 661 A HA 0.053 4.377 4.320 0.006 0.000 0.238 661 A C 1.046 178.644 177.584 0.023 0.000 1.070 661 A CA 0.045 52.088 52.037 0.010 0.000 0.770 661 A CB 0.308 19.320 19.000 0.020 0.000 1.008 661 A HN 0.415 nan 8.150 nan 0.000 0.497 662 D N 0.281 120.700 120.400 0.032 0.000 2.289 662 D HA 0.280 4.924 4.640 0.006 0.000 0.207 662 D C 0.599 176.919 176.300 0.034 0.000 0.966 662 D CA 1.622 55.636 54.000 0.024 0.000 0.868 662 D CB 0.277 41.085 40.800 0.013 0.000 0.943 662 D HN 0.696 nan 8.370 nan 0.000 0.514 663 A N 0.210 123.064 122.820 0.057 0.000 2.606 663 A HA 0.620 4.943 4.320 0.006 0.000 0.293 663 A C -1.381 176.266 177.584 0.105 0.000 1.082 663 A CA -0.604 51.486 52.037 0.088 0.000 0.685 663 A CB 1.400 20.458 19.000 0.097 0.000 1.284 663 A HN -0.004 nan 8.150 nan 0.000 0.408 664 I N 1.495 122.142 120.570 0.129 0.000 2.362 664 I HA 0.374 4.548 4.170 0.006 0.000 0.289 664 I C -0.974 175.234 176.117 0.151 0.000 0.994 664 I CA -0.369 61.003 61.300 0.121 0.000 1.158 664 I CB 1.459 39.521 38.000 0.104 0.000 1.315 664 I HN 0.452 nan 8.210 nan 0.000 0.451 665 L N 6.444 127.749 121.223 0.135 0.000 2.305 665 L HA 0.741 5.085 4.340 0.006 0.000 0.284 665 L C -0.133 176.805 176.870 0.114 0.000 1.013 665 L CA -0.478 54.442 54.840 0.133 0.000 0.819 665 L CB 1.688 43.816 42.059 0.115 0.000 1.227 665 L HN 0.636 nan 8.230 nan 0.000 0.417 666 A N 2.350 125.237 122.820 0.110 0.000 2.386 666 A HA 0.711 5.035 4.320 0.006 0.000 0.311 666 A C -0.662 176.978 177.584 0.093 0.000 1.068 666 A CA -0.463 51.630 52.037 0.095 0.000 0.743 666 A CB 2.011 21.061 19.000 0.084 0.000 1.258 666 A HN 0.518 nan 8.150 nan 0.000 0.429 667 S N 0.868 116.620 115.700 0.088 0.000 2.454 667 S HA 0.714 5.188 4.470 0.006 0.000 0.306 667 S C -0.279 174.360 174.600 0.066 0.000 1.100 667 S CA 0.101 58.350 58.200 0.082 0.000 1.087 667 S CB 0.645 63.902 63.200 0.095 0.000 1.019 667 S HN 1.373 nan 8.310 nan 0.000 0.480 668 T N 4.005 118.588 114.554 0.049 0.000 2.963 668 T HA 0.477 4.831 4.350 0.006 0.000 0.328 668 T C 0.749 175.434 174.700 -0.025 0.000 1.048 668 T CA -0.789 61.331 62.100 0.032 0.000 1.033 668 T CB 0.415 69.318 68.868 0.058 0.000 1.010 668 T HN 0.408 nan 8.240 nan 0.000 0.469 669 I N 2.200 122.739 120.570 -0.052 0.000 2.499 669 I HA 0.264 4.438 4.170 0.006 0.000 0.243 669 I C 1.417 177.389 176.117 -0.241 0.000 1.085 669 I CA -0.178 61.027 61.300 -0.159 0.000 1.422 669 I CB -0.672 37.198 38.000 -0.217 0.000 1.165 669 I HN 0.636 nan 8.210 nan 0.000 0.440 670 I N 2.330 122.780 120.570 -0.200 0.000 2.752 670 I HA -0.132 4.042 4.170 0.006 0.000 0.289 670 I C 0.981 177.000 176.117 -0.163 0.000 1.197 670 I CA 0.594 61.802 61.300 -0.153 0.000 1.432 670 I CB 0.339 38.321 38.000 -0.030 0.000 1.359 670 I HN 0.279 nan 8.210 nan 0.000 0.571 671 S N 3.012 118.591 115.700 -0.202 0.000 2.937 671 S HA 0.125 4.599 4.470 0.006 0.000 0.252 671 S C 0.065 174.624 174.600 -0.068 0.000 1.022 671 S CA -0.603 57.381 58.200 -0.360 0.000 1.079 671 S CB -0.308 62.396 63.200 -0.826 0.000 1.035 671 S HN 0.672 nan 8.310 nan 0.000 0.594 672 H N 2.540 121.572 119.070 -0.063 0.000 2.848 672 H HA 0.366 4.926 4.556 0.006 0.000 0.317 672 H C 0.414 175.766 175.328 0.039 0.000 1.046 672 H CA 1.683 57.726 56.048 -0.007 0.000 1.470 672 H CB 0.374 30.132 29.762 -0.006 0.000 1.483 672 H HN 0.294 nan 8.280 nan 0.000 0.548 673 D N 3.281 123.558 120.400 -0.204 0.000 3.091 673 D HA -0.216 4.427 4.640 0.006 0.000 0.216 673 D C -0.496 175.830 176.300 0.045 0.000 1.129 673 D CA 1.239 55.190 54.000 -0.082 0.000 0.913 673 D CB -1.686 39.109 40.800 -0.008 0.000 1.101 673 D HN 0.989 nan 8.370 nan 0.000 0.426 674 D N -1.140 119.336 120.400 0.127 0.000 2.737 674 D HA -0.253 4.391 4.640 0.006 0.000 0.233 674 D C 1.233 177.662 176.300 0.215 0.000 1.155 674 D CA 0.825 54.989 54.000 0.274 0.000 0.667 674 D CB -0.829 40.093 40.800 0.203 0.000 1.060 674 D HN 0.444 nan 8.370 nan 0.000 0.427 675 I N 0.468 121.168 120.570 0.217 0.000 2.756 675 I HA -0.202 3.972 4.170 0.006 0.000 0.262 675 I C 2.196 178.397 176.117 0.141 0.000 1.225 675 I CA 1.462 62.847 61.300 0.140 0.000 1.472 675 I CB -0.146 37.919 38.000 0.108 0.000 1.094 675 I HN 0.374 nan 8.210 nan 0.000 0.454 676 H N -1.310 117.712 119.070 -0.080 0.000 2.363 676 H HA -0.123 4.437 4.556 0.006 0.000 0.301 676 H C 1.775 177.011 175.328 -0.153 0.000 1.074 676 H CA 1.700 57.652 56.048 -0.161 0.000 1.354 676 H CB -1.494 28.094 29.762 -0.290 0.000 1.397 676 H HN 0.335 nan 8.280 nan 0.000 0.516 677 Y N 1.707 121.712 120.300 -0.491 0.000 2.314 677 Y HA 0.030 4.583 4.550 0.006 0.000 0.293 677 Y C 2.636 178.456 175.900 -0.133 0.000 1.129 677 Y CA 0.767 58.666 58.100 -0.335 0.000 1.201 677 Y CB -0.034 38.189 38.460 -0.396 0.000 0.999 677 Y HN 0.159 nan 8.280 nan 0.000 0.541 678 K N -0.200 120.236 120.400 0.059 0.000 2.057 678 K HA -0.137 4.187 4.320 0.006 0.000 0.206 678 K C 1.664 178.296 176.600 0.053 0.000 1.050 678 K CA 1.326 57.646 56.287 0.056 0.000 0.935 678 K CB -0.157 32.376 32.500 0.054 0.000 0.715 678 K HN 0.188 nan 8.250 nan 0.000 0.439 679 N N 0.802 119.532 118.700 0.050 0.000 2.309 679 N HA -0.064 4.680 4.740 0.006 0.000 0.182 679 N C 1.645 177.190 175.510 0.058 0.000 1.018 679 N CA 1.090 54.171 53.050 0.052 0.000 0.876 679 N CB -0.023 38.494 38.487 0.051 0.000 0.972 679 N HN 0.200 nan 8.380 nan 0.000 0.434 680 M N 0.478 120.113 119.600 0.058 0.000 2.067 680 M HA -0.171 4.313 4.480 0.006 0.000 0.260 680 M C 2.146 178.502 176.300 0.093 0.000 1.069 680 M CA 1.461 56.805 55.300 0.074 0.000 1.117 680 M CB -0.276 32.371 32.600 0.077 0.000 1.334 680 M HN -0.009 nan 8.290 nan 0.000 0.407 681 K N 0.700 121.151 120.400 0.084 0.000 2.063 681 K HA -0.164 4.160 4.320 0.006 0.000 0.208 681 K C 1.901 178.570 176.600 0.115 0.000 1.048 681 K CA 1.601 57.950 56.287 0.103 0.000 0.928 681 K CB -0.062 32.480 32.500 0.069 0.000 0.713 681 K HN 0.193 nan 8.250 nan 0.000 0.442 682 R N 0.288 120.834 120.500 0.077 0.000 2.105 682 R HA -0.075 4.269 4.340 0.006 0.000 0.239 682 R C 2.366 178.700 176.300 0.057 0.000 1.135 682 R CA 1.808 57.943 56.100 0.057 0.000 0.967 682 R CB -0.440 29.887 30.300 0.044 0.000 0.861 682 R HN 0.291 nan 8.270 nan 0.000 0.442 683 I N -0.508 120.107 120.570 0.075 0.000 2.142 683 I HA -0.297 3.877 4.170 0.006 0.000 0.240 683 I C 2.536 178.705 176.117 0.087 0.000 1.078 683 I CA 1.633 62.978 61.300 0.074 0.000 1.343 683 I CB -0.448 37.604 38.000 0.086 0.000 1.046 683 I HN 0.238 nan 8.210 nan 0.000 0.405 684 H N 1.252 120.343 119.070 0.033 0.000 2.319 684 H HA -0.180 4.380 4.556 0.007 0.000 0.299 684 H C 2.092 177.434 175.328 0.024 0.000 1.092 684 H CA 2.062 58.129 56.048 0.031 0.000 1.302 684 H CB -0.018 29.760 29.762 0.027 0.000 1.373 684 H HN 0.305 nan 8.280 nan 0.000 0.497 685 E N -0.014 120.150 120.200 -0.061 0.000 2.077 685 E HA -0.139 4.215 4.350 0.006 0.000 0.193 685 E C 2.421 178.957 176.600 -0.106 0.000 0.989 685 E CA 1.141 57.473 56.400 -0.113 0.000 0.800 685 E CB -0.075 29.627 29.700 0.003 0.000 0.746 685 E HN 0.458 nan 8.360 nan 0.000 0.452 686 L N 0.513 121.706 121.223 -0.050 0.000 2.083 686 L HA -0.189 4.155 4.340 0.006 0.000 0.209 686 L C 2.496 179.334 176.870 -0.053 0.000 1.083 686 L CA 0.911 55.730 54.840 -0.036 0.000 0.752 686 L CB -0.330 41.724 42.059 -0.008 0.000 0.899 686 L HN 0.156 nan 8.230 nan 0.000 0.433 687 A N -0.615 122.162 122.820 -0.072 0.000 1.898 687 A HA -0.137 4.187 4.320 0.006 0.000 0.216 687 A C 2.297 179.824 177.584 -0.096 0.000 1.181 687 A CA 1.654 53.652 52.037 -0.065 0.000 0.620 687 A CB -0.722 18.253 19.000 -0.042 0.000 0.819 687 A HN 0.185 nan 8.150 nan 0.000 0.442 688 V N 0.258 120.065 119.914 -0.178 0.000 2.261 688 V HA -0.284 3.840 4.120 0.006 0.000 0.246 688 V C 2.552 178.594 176.094 -0.086 0.000 1.047 688 V CA 2.295 64.502 62.300 -0.155 0.000 1.015 688 V CB -0.807 30.877 31.823 -0.231 0.000 0.642 688 V HN 0.824 nan 8.190 nan 0.000 0.446 689 E N 0.021 120.174 120.200 -0.079 0.000 2.171 689 E HA -0.274 4.080 4.350 0.006 0.000 0.197 689 E C 1.939 178.518 176.600 -0.034 0.000 0.997 689 E CA 1.198 57.570 56.400 -0.046 0.000 0.810 689 E CB 0.034 29.712 29.700 -0.037 0.000 0.738 689 E HN 0.394 nan 8.360 nan 0.000 0.467 690 K N -0.900 119.479 120.400 -0.036 0.000 2.400 690 K HA 0.053 4.376 4.320 0.006 0.000 0.194 690 K C 1.298 177.885 176.600 -0.021 0.000 1.033 690 K CA 0.819 57.091 56.287 -0.024 0.000 1.021 690 K CB 0.646 33.134 32.500 -0.020 0.000 0.808 690 K HN 0.354 nan 8.250 nan 0.000 0.505 691 G N 2.173 110.957 108.800 -0.027 0.000 2.179 691 G HA2 -0.272 3.692 3.960 0.006 0.000 0.260 691 G HA3 -0.272 3.692 3.960 0.006 0.000 0.260 691 G C 0.748 175.640 174.900 -0.014 0.000 0.977 691 G CA 0.576 45.664 45.100 -0.020 0.000 0.641 691 G HN 0.437 nan 8.290 nan 0.000 0.533 692 I N -2.430 118.132 120.570 -0.013 0.000 3.956 692 I HA 0.518 4.691 4.170 0.006 0.000 0.333 692 I C 2.052 178.172 176.117 0.005 0.000 1.302 692 I CA 0.429 61.727 61.300 -0.003 0.000 1.122 692 I CB 0.160 38.160 38.000 -0.000 0.000 1.013 692 I HN 0.014 nan 8.210 nan 0.000 0.405 693 R N 2.907 123.404 120.500 -0.005 0.000 2.105 693 R HA -0.200 4.144 4.340 0.006 0.000 0.239 693 R C 1.658 177.981 176.300 0.038 0.000 1.135 693 R CA 2.390 58.496 56.100 0.010 0.000 0.967 693 R CB -0.758 29.525 30.300 -0.028 0.000 0.861 693 R HN 0.696 nan 8.270 nan 0.000 0.442 694 D N -0.613 119.803 120.400 0.026 0.000 2.317 694 D HA -0.113 4.531 4.640 0.006 0.000 0.211 694 D C 0.631 176.947 176.300 0.027 0.000 0.966 694 D CA 0.720 54.739 54.000 0.030 0.000 0.876 694 D CB 0.012 40.825 40.800 0.021 0.000 0.927 694 D HN 0.312 nan 8.370 nan 0.000 0.519 695 K N -0.161 120.253 120.400 0.023 0.000 2.358 695 K HA 0.326 4.650 4.320 0.006 0.000 0.200 695 K C 0.175 176.789 176.600 0.023 0.000 1.030 695 K CA -0.183 56.114 56.287 0.018 0.000 1.097 695 K CB 1.498 34.005 32.500 0.011 0.000 0.862 695 K HN 0.113 nan 8.250 nan 0.000 0.534 696 I N 0.902 121.494 120.570 0.037 0.000 2.647 696 I HA 0.296 4.469 4.170 0.006 0.000 0.295 696 I C -1.226 174.936 176.117 0.076 0.000 1.078 696 I CA -0.987 60.342 61.300 0.049 0.000 1.048 696 I CB 1.775 39.805 38.000 0.050 0.000 1.239 696 I HN -0.087 nan 8.210 nan 0.000 0.421 697 M N 7.534 127.183 119.600 0.080 0.000 2.233 697 M HA 0.484 4.968 4.480 0.006 0.000 0.355 697 M C -0.995 175.438 176.300 0.220 0.000 1.191 697 M CA -0.183 55.202 55.300 0.141 0.000 1.101 697 M CB 1.158 33.781 32.600 0.039 0.000 1.592 697 M HN 0.333 nan 8.290 nan 0.000 0.461 698 I N 1.850 122.597 120.570 0.295 0.000 2.447 698 I HA 0.587 4.761 4.170 0.006 0.000 0.287 698 I C 0.060 176.344 176.117 0.279 0.000 1.023 698 I CA -0.597 60.856 61.300 0.255 0.000 1.083 698 I CB 2.000 40.112 38.000 0.187 0.000 1.245 698 I HN 0.782 nan 8.210 nan 0.000 0.434 699 G N 4.903 113.865 108.800 0.270 0.000 2.566 699 G HA2 0.641 4.604 3.960 0.006 0.000 0.311 699 G HA3 0.641 4.604 3.960 0.006 0.000 0.311 699 G C -1.338 173.676 174.900 0.190 0.000 1.322 699 G CA -0.312 44.904 45.100 0.193 0.000 0.969 699 G HN 0.629 nan 8.290 nan 0.000 0.490 700 C N 0.633 120.040 119.300 0.178 0.000 2.563 700 C HA 1.014 5.478 4.460 0.006 0.000 0.314 700 C C 0.685 175.799 174.990 0.207 0.000 1.199 700 C CA -0.303 58.808 59.018 0.155 0.000 1.564 700 C CB 1.359 29.154 27.740 0.093 0.000 2.173 700 C HN 1.086 nan 8.230 nan 0.000 0.485 701 G N 0.299 109.198 108.800 0.164 0.000 2.694 701 G HA2 0.904 4.868 3.960 0.006 0.000 0.290 701 G HA3 0.904 4.868 3.960 0.006 0.000 0.290 701 G C -0.806 174.148 174.900 0.090 0.000 1.386 701 G CA -0.032 45.169 45.100 0.169 0.000 0.872 701 G HN 1.504 nan 8.290 nan 0.000 0.475 702 G N -1.805 107.038 108.800 0.072 0.000 2.347 702 G HA2 0.463 4.427 3.960 0.006 0.000 0.303 702 G HA3 0.463 4.427 3.960 0.006 0.000 0.303 702 G C 0.561 175.459 174.900 -0.004 0.000 1.481 702 G CA 0.561 45.672 45.100 0.018 0.000 0.914 702 G HN 0.984 nan 8.290 nan 0.000 0.638 703 T N 0.466 114.994 114.554 -0.044 0.000 2.699 703 T HA -0.141 4.213 4.350 0.006 0.000 0.268 703 T C 1.707 176.377 174.700 -0.050 0.000 1.036 703 T CA 1.903 63.975 62.100 -0.047 0.000 1.147 703 T CB -0.083 68.739 68.868 -0.078 0.000 0.862 703 T HN 0.427 nan 8.240 nan 0.000 0.446 704 Q N 0.614 120.352 119.800 -0.104 0.000 2.220 704 Q HA 0.280 4.624 4.340 0.006 0.000 0.205 704 Q C -0.161 175.861 176.000 0.035 0.000 0.865 704 Q CA -0.001 55.752 55.803 -0.084 0.000 0.960 704 Q CB 0.260 28.850 28.738 -0.247 0.000 1.097 704 Q HN 0.350 nan 8.270 nan 0.000 0.493 705 V N 1.987 121.925 119.914 0.040 0.000 2.408 705 V HA 0.155 4.279 4.120 0.006 0.000 0.267 705 V C 0.398 176.565 176.094 0.122 0.000 1.047 705 V CA 0.080 62.429 62.300 0.081 0.000 0.937 705 V CB 1.214 33.063 31.823 0.044 0.000 0.999 705 V HN 0.037 nan 8.190 nan 0.000 0.472 706 T N 9.191 123.883 114.554 0.229 0.000 2.744 706 T HA 0.252 4.606 4.350 0.006 0.000 0.291 706 T C -1.575 173.158 174.700 0.054 0.000 0.957 706 T CA -1.000 61.169 62.100 0.115 0.000 1.002 706 T CB 1.779 70.711 68.868 0.107 0.000 0.919 706 T HN 0.461 nan 8.240 nan 0.000 0.468 707 P HA -0.142 nan 4.420 nan 0.000 0.214 707 P C 1.286 178.514 177.300 -0.120 0.000 1.163 707 P CA 1.134 64.147 63.100 -0.144 0.000 0.889 707 P CB 0.272 31.841 31.700 -0.218 0.000 0.790 708 E N -0.726 119.412 120.200 -0.103 0.000 2.097 708 E HA -0.146 4.208 4.350 0.006 0.000 0.196 708 E C 1.987 178.510 176.600 -0.128 0.000 1.000 708 E CA 1.178 57.514 56.400 -0.107 0.000 0.804 708 E CB -1.304 28.341 29.700 -0.091 0.000 0.740 708 E HN 0.064 nan 8.360 nan 0.000 0.454 709 V N 0.703 120.531 119.914 -0.144 0.000 2.453 709 V HA -0.195 3.929 4.120 0.006 0.000 0.247 709 V C 2.190 178.129 176.094 -0.258 0.000 1.048 709 V CA 1.527 63.647 62.300 -0.299 0.000 1.049 709 V CB -0.838 30.663 31.823 -0.537 0.000 0.672 709 V HN 0.350 nan 8.190 nan 0.000 0.457 710 A N 0.188 122.999 122.820 -0.015 0.000 1.883 710 A HA -0.182 4.142 4.320 0.006 0.000 0.217 710 A C 2.381 179.930 177.584 -0.059 0.000 1.186 710 A CA 2.229 54.306 52.037 0.066 0.000 0.624 710 A CB -0.758 18.278 19.000 0.060 0.000 0.822 710 A HN 0.345 nan 8.150 nan 0.000 0.444 711 V N 0.153 120.003 119.914 -0.107 0.000 2.490 711 V HA -0.258 3.866 4.120 0.006 0.000 0.250 711 V C 2.330 178.342 176.094 -0.136 0.000 1.061 711 V CA 2.225 64.452 62.300 -0.122 0.000 1.064 711 V CB -0.701 31.050 31.823 -0.120 0.000 0.670 711 V HN 0.547 nan 8.190 nan 0.000 0.461 712 K N -0.237 120.075 120.400 -0.147 0.000 2.209 712 K HA -0.174 4.150 4.320 0.006 0.000 0.204 712 K C 2.115 178.621 176.600 -0.158 0.000 1.048 712 K CA 0.974 57.169 56.287 -0.153 0.000 0.940 712 K CB -0.146 32.249 32.500 -0.175 0.000 0.729 712 K HN 0.436 nan 8.250 nan 0.000 0.451 713 Q N -0.720 118.990 119.800 -0.150 0.000 2.436 713 Q HA -0.016 4.328 4.340 0.006 0.000 0.209 713 Q C 1.306 177.175 176.000 -0.218 0.000 0.965 713 Q CA 1.174 56.906 55.803 -0.119 0.000 0.910 713 Q CB 0.607 29.323 28.738 -0.036 0.000 0.980 713 Q HN 0.578 nan 8.270 nan 0.000 0.491 714 G N 0.376 108.985 108.800 -0.318 0.000 2.179 714 G HA2 -0.245 3.719 3.960 0.006 0.000 0.220 714 G HA3 -0.245 3.719 3.960 0.006 0.000 0.220 714 G C 0.359 174.973 174.900 -0.476 0.000 0.990 714 G CA 0.195 44.883 45.100 -0.687 0.000 0.646 714 G HN 0.323 nan 8.290 nan 0.000 0.517 715 V N -2.171 117.644 119.914 -0.165 0.000 3.214 715 V HA 0.675 4.799 4.120 0.006 0.000 0.306 715 V C 1.197 177.281 176.094 -0.017 0.000 1.078 715 V CA 0.399 62.690 62.300 -0.014 0.000 1.077 715 V CB 1.190 33.029 31.823 0.026 0.000 1.121 715 V HN -0.013 nan 8.190 nan 0.000 0.468 716 D N 1.233 121.670 120.400 0.063 0.000 2.249 716 D HA 0.339 4.983 4.640 0.006 0.000 0.205 716 D C 0.662 176.924 176.300 -0.063 0.000 0.962 716 D CA 1.781 55.844 54.000 0.107 0.000 0.860 716 D CB 0.594 41.608 40.800 0.357 0.000 0.955 716 D HN 0.994 nan 8.370 nan 0.000 0.505 717 A N -0.360 122.293 122.820 -0.279 0.000 2.605 717 A HA 0.619 4.943 4.320 0.006 0.000 0.294 717 A C -0.510 176.747 177.584 -0.544 0.000 1.062 717 A CA -0.306 51.378 52.037 -0.588 0.000 0.682 717 A CB 1.638 19.902 19.000 -1.225 0.000 1.278 717 A HN 0.054 nan 8.150 nan 0.000 0.410 718 G N -0.251 108.154 108.800 -0.659 0.000 2.482 718 G HA2 0.713 4.677 3.960 0.006 0.000 0.317 718 G HA3 0.713 4.677 3.960 0.006 0.000 0.317 718 G C -1.434 173.023 174.900 -0.739 0.000 1.241 718 G CA -0.505 44.327 45.100 -0.447 0.000 0.967 718 G HN 0.500 nan 8.290 nan 0.000 0.482 719 F N 0.797 120.706 119.950 -0.069 0.000 2.536 719 F HA 0.636 5.166 4.527 0.006 0.000 0.322 719 F C 0.751 176.539 175.800 -0.020 0.000 1.144 719 F CA -0.484 57.486 58.000 -0.051 0.000 0.924 719 F CB 2.531 41.513 39.000 -0.031 0.000 1.181 719 F HN 0.741 nan 8.300 nan 0.000 0.438 720 G N 1.831 110.699 108.800 0.114 0.000 3.008 720 G HA2 0.482 4.446 3.960 0.006 0.000 0.181 720 G HA3 0.482 4.446 3.960 0.006 0.000 0.181 720 G C -0.535 174.407 174.900 0.071 0.000 1.309 720 G CA -1.130 44.013 45.100 0.072 0.000 1.009 720 G HN 0.484 nan 8.290 nan 0.000 0.584 721 R N -0.478 120.047 120.500 0.041 0.000 2.566 721 R HA 0.270 4.614 4.340 0.006 0.000 0.273 721 R C 1.332 177.662 176.300 0.050 0.000 0.981 721 R CA 1.487 57.609 56.100 0.037 0.000 1.091 721 R CB 0.060 30.373 30.300 0.020 0.000 0.924 721 R HN 1.227 nan 8.270 nan 0.000 0.411 722 G N 1.787 110.624 108.800 0.061 0.000 2.162 722 G HA2 -0.308 3.656 3.960 0.006 0.000 0.260 722 G HA3 -0.308 3.656 3.960 0.006 0.000 0.260 722 G C 0.056 175.050 174.900 0.156 0.000 0.976 722 G CA 0.334 45.484 45.100 0.083 0.000 0.655 722 G HN 0.578 nan 8.290 nan 0.000 0.533 723 S N 0.496 116.297 115.700 0.169 0.000 2.560 723 S HA 0.500 4.973 4.470 0.006 0.000 0.284 723 S C 0.563 175.326 174.600 0.271 0.000 1.327 723 S CA 0.369 58.748 58.200 0.298 0.000 1.055 723 S CB 1.056 64.405 63.200 0.248 0.000 0.868 723 S HN 0.612 nan 8.310 nan 0.000 0.506 724 K N 0.537 121.149 120.400 0.352 0.000 2.433 724 K HA 0.514 4.838 4.320 0.006 0.000 0.252 724 K C 1.480 178.082 176.600 0.004 0.000 1.015 724 K CA -0.905 55.418 56.287 0.060 0.000 0.860 724 K CB 0.688 33.140 32.500 -0.079 0.000 1.359 724 K HN 0.522 nan 8.250 nan 0.000 0.452 725 G N 0.820 109.632 108.800 0.019 0.000 2.469 725 G HA2 -0.253 3.711 3.960 0.006 0.000 0.219 725 G HA3 -0.253 3.711 3.960 0.006 0.000 0.219 725 G C 1.297 176.272 174.900 0.125 0.000 1.150 725 G CA 1.058 46.207 45.100 0.082 0.000 0.763 725 G HN 0.531 nan 8.290 nan 0.000 0.561 726 I N 0.870 121.487 120.570 0.077 0.000 2.208 726 I HA -0.166 4.008 4.170 0.006 0.000 0.245 726 I C 2.514 178.608 176.117 -0.039 0.000 1.097 726 I CA 1.529 62.826 61.300 -0.005 0.000 1.363 726 I CB -0.698 37.278 38.000 -0.040 0.000 1.051 726 I HN 0.405 nan 8.210 nan 0.000 0.413 727 H N -1.128 118.002 119.070 0.101 0.000 2.319 727 H HA -0.147 4.413 4.556 0.006 0.000 0.299 727 H C 2.216 177.658 175.328 0.191 0.000 1.092 727 H CA 1.800 57.949 56.048 0.168 0.000 1.302 727 H CB -0.346 29.556 29.762 0.233 0.000 1.373 727 H HN 0.264 nan 8.280 nan 0.000 0.497 728 V N 0.728 120.700 119.914 0.097 0.000 2.379 728 V HA -0.201 3.923 4.120 0.006 0.000 0.245 728 V C 2.630 178.805 176.094 0.135 0.000 1.044 728 V CA 1.447 63.713 62.300 -0.057 0.000 1.036 728 V CB -0.878 30.787 31.823 -0.264 0.000 0.664 728 V HN 0.559 nan 8.190 nan 0.000 0.453 729 A N 0.049 122.895 122.820 0.042 0.000 1.933 729 A HA -0.217 4.107 4.320 0.006 0.000 0.218 729 A C 2.398 179.942 177.584 -0.067 0.000 1.175 729 A CA 2.488 54.492 52.037 -0.055 0.000 0.628 729 A CB -0.993 17.847 19.000 -0.267 0.000 0.814 729 A HN 0.497 nan 8.150 nan 0.000 0.444 730 T N -0.398 114.148 114.554 -0.014 0.000 2.652 730 T HA -0.176 4.177 4.350 0.006 0.000 0.267 730 T C 1.619 176.387 174.700 0.114 0.000 1.039 730 T CA 1.706 63.826 62.100 0.032 0.000 1.153 730 T CB -0.486 68.440 68.868 0.096 0.000 0.863 730 T HN 0.561 nan 8.240 nan 0.000 0.428 731 F N 1.986 122.007 119.950 0.119 0.000 2.091 731 F HA -0.110 4.421 4.527 0.006 0.000 0.299 731 F C 1.882 177.742 175.800 0.101 0.000 1.103 731 F CA 1.244 59.340 58.000 0.160 0.000 1.228 731 F CB -0.727 38.490 39.000 0.361 0.000 0.984 731 F HN 0.077 nan 8.300 nan 0.000 0.477 732 L N 0.067 121.099 121.223 -0.319 0.000 2.093 732 L HA -0.158 4.186 4.340 0.006 0.000 0.208 732 L C 2.616 179.309 176.870 -0.295 0.000 1.085 732 L CA 1.274 55.831 54.840 -0.471 0.000 0.755 732 L CB -0.935 41.023 42.059 -0.169 0.000 0.904 732 L HN 0.300 nan 8.230 nan 0.000 0.435 733 V N -2.531 117.282 119.914 -0.169 0.000 2.270 733 V HA -0.213 3.911 4.120 0.006 0.000 0.245 733 V C 2.349 178.379 176.094 -0.107 0.000 1.043 733 V CA 1.376 63.606 62.300 -0.117 0.000 1.014 733 V CB -0.812 30.958 31.823 -0.090 0.000 0.645 733 V HN 0.326 nan 8.190 nan 0.000 0.447 734 K N 0.672 121.018 120.400 -0.089 0.000 2.026 734 K HA -0.195 4.129 4.320 0.006 0.000 0.208 734 K C 2.321 178.877 176.600 -0.073 0.000 1.048 734 K CA 1.991 58.247 56.287 -0.051 0.000 0.929 734 K CB -0.315 32.187 32.500 0.003 0.000 0.713 734 K HN 0.409 nan 8.250 nan 0.000 0.439 735 K N 1.575 121.881 120.400 -0.157 0.000 2.097 735 K HA -0.142 4.182 4.320 0.006 0.000 0.206 735 K C 1.998 178.522 176.600 -0.127 0.000 1.049 735 K CA 1.375 57.567 56.287 -0.159 0.000 0.933 735 K CB -0.102 32.178 32.500 -0.366 0.000 0.717 735 K HN 0.012 nan 8.250 nan 0.000 0.442 736 R N 0.079 120.487 120.500 -0.153 0.000 2.096 736 R HA -0.058 4.286 4.340 0.006 0.000 0.235 736 R C 2.112 178.378 176.300 -0.057 0.000 1.127 736 R CA 1.427 57.470 56.100 -0.096 0.000 0.968 736 R CB -0.086 30.158 30.300 -0.094 0.000 0.861 736 R HN 0.115 nan 8.270 nan 0.000 0.440 737 R N 0.080 120.547 120.500 -0.054 0.000 2.070 737 R HA -0.138 4.205 4.340 0.006 0.000 0.233 737 R C 2.719 179.006 176.300 -0.022 0.000 1.137 737 R CA 1.971 58.052 56.100 -0.033 0.000 0.945 737 R CB -0.611 29.672 30.300 -0.029 0.000 0.845 737 R HN 0.455 nan 8.270 nan 0.000 0.430 738 E N 1.373 121.560 120.200 -0.021 0.000 2.065 738 E HA -0.261 4.093 4.350 0.006 0.000 0.201 738 E C 1.855 178.452 176.600 -0.006 0.000 1.016 738 E CA 2.009 58.404 56.400 -0.008 0.000 0.818 738 E CB -0.732 28.968 29.700 0.001 0.000 0.749 738 E HN 0.375 nan 8.360 nan 0.000 0.453 739 M N -0.051 119.542 119.600 -0.011 0.000 2.080 739 M HA -0.041 4.442 4.480 0.006 0.000 0.260 739 M C 2.337 178.634 176.300 -0.004 0.000 1.068 739 M CA 1.772 57.070 55.300 -0.004 0.000 1.109 739 M CB -0.738 31.857 32.600 -0.008 0.000 1.342 739 M HN 0.518 nan 8.290 nan 0.000 0.405 740 R N 0.000 120.494 120.500 -0.009 0.000 2.786 740 R HA 0.000 4.344 4.340 0.006 0.000 0.208 740 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 740 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535