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 1q3g_1_H DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTAMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2 D N 3.766 124.193 120.400 0.044 0.000 2.443 2 D HA 0.373 5.013 4.640 -0.001 0.000 0.234 2 D C -0.340 175.970 176.300 0.016 0.000 1.172 2 D CA 0.890 54.914 54.000 0.039 0.000 0.878 2 D CB 0.718 41.538 40.800 0.032 0.000 1.204 2 D HN 0.532 nan 8.370 nan 0.000 0.453 3 K N 0.475 120.903 120.400 0.046 0.000 2.495 3 K HA 0.478 4.798 4.320 -0.001 0.000 0.268 3 K C -0.910 175.827 176.600 0.228 0.000 1.008 3 K CA -0.774 55.541 56.287 0.047 0.000 0.882 3 K CB 1.950 34.489 32.500 0.065 0.000 1.443 3 K HN 0.292 nan 8.250 nan 0.000 0.447 4 F N 1.326 121.277 119.950 0.002 0.000 2.467 4 F HA 0.399 4.926 4.527 -0.001 0.000 0.336 4 F C 0.235 176.031 175.800 -0.006 0.000 1.123 4 F CA -1.042 56.956 58.000 -0.004 0.000 0.964 4 F CB 1.914 40.904 39.000 -0.017 0.000 1.136 4 F HN 0.227 nan 8.300 nan 0.000 0.447 5 R N 4.180 124.764 120.500 0.141 0.000 2.255 5 R HA 0.602 4.942 4.340 -0.001 0.000 0.326 5 R C -1.849 174.453 176.300 0.004 0.000 0.986 5 R CA -0.319 55.816 56.100 0.059 0.000 0.847 5 R CB 1.305 31.625 30.300 0.033 0.000 1.111 5 R HN 0.490 nan 8.270 nan 0.000 0.452 6 V N 4.429 124.350 119.914 0.011 0.000 2.604 6 V HA 0.332 4.451 4.120 -0.001 0.000 0.305 6 V C -0.540 175.546 176.094 -0.013 0.000 1.043 6 V CA -0.793 61.496 62.300 -0.018 0.000 0.888 6 V CB 1.763 33.581 31.823 -0.007 0.000 0.995 6 V HN 0.756 nan 8.190 nan 0.000 0.429 7 Q N 1.701 121.488 119.800 -0.022 0.000 2.330 7 Q HA 0.724 5.064 4.340 -0.001 0.000 0.269 7 Q C -0.292 175.698 176.000 -0.017 0.000 1.022 7 Q CA -0.338 55.456 55.803 -0.016 0.000 0.796 7 Q CB 2.192 30.920 28.738 -0.017 0.000 1.271 7 Q HN 0.997 nan 8.270 nan 0.000 0.450 8 G N 2.775 111.567 108.800 -0.013 0.000 2.949 8 G HA2 0.672 4.631 3.960 -0.001 0.000 0.285 8 G HA3 0.672 4.631 3.960 -0.001 0.000 0.285 8 G C -2.913 171.980 174.900 -0.011 0.000 1.395 8 G CA -1.151 43.941 45.100 -0.013 0.000 0.901 8 G HN 0.509 nan 8.290 nan 0.000 0.519 9 P HA 0.365 nan 4.420 nan 0.000 0.281 9 P C -0.745 176.549 177.300 -0.011 0.000 1.249 9 P CA -0.062 63.032 63.100 -0.011 0.000 0.810 9 P CB 1.600 33.294 31.700 -0.010 0.000 1.008 10 T N -0.922 113.625 114.554 -0.012 0.000 2.991 10 T HA 0.355 4.705 4.350 -0.001 0.000 0.303 10 T C -0.303 174.392 174.700 -0.008 0.000 1.015 10 T CA -1.024 61.069 62.100 -0.010 0.000 1.007 10 T CB 1.185 70.045 68.868 -0.013 0.000 1.034 10 T HN 0.428 nan 8.240 nan 0.000 0.446 11 R N 3.945 124.441 120.500 -0.006 0.000 2.288 11 R HA 0.355 4.695 4.340 -0.001 0.000 0.330 11 R C -0.418 175.881 176.300 -0.002 0.000 1.069 11 R CA -0.586 55.511 56.100 -0.004 0.000 0.941 11 R CB -0.015 30.283 30.300 -0.004 0.000 0.998 11 R HN 0.703 nan 8.270 nan 0.000 0.452 12 L N 6.410 127.635 121.223 0.004 0.000 2.369 12 L HA 0.155 4.495 4.340 -0.001 0.000 0.279 12 L C 0.164 177.042 176.870 0.013 0.000 1.108 12 L CA 0.202 55.052 54.840 0.016 0.000 0.852 12 L CB 0.541 42.622 42.059 0.037 0.000 1.169 12 L HN 0.736 nan 8.230 nan 0.000 0.452 13 Q N 3.206 123.008 119.800 0.004 0.000 2.472 13 Q HA 0.769 5.108 4.340 -0.001 0.000 0.281 13 Q C -0.490 175.499 176.000 -0.017 0.000 0.997 13 Q CA -0.368 55.431 55.803 -0.006 0.000 0.828 13 Q CB 2.772 31.503 28.738 -0.012 0.000 1.443 13 Q HN 0.661 nan 8.270 nan 0.000 0.390 14 G N 1.336 110.120 108.800 -0.026 0.000 2.217 14 G HA2 0.037 3.996 3.960 -0.001 0.000 0.126 14 G HA3 0.037 3.996 3.960 -0.001 0.000 0.126 14 G C -1.498 173.370 174.900 -0.054 0.000 1.293 14 G CA -0.336 44.739 45.100 -0.041 0.000 1.219 14 G HN 0.669 nan 8.290 nan 0.000 0.477 15 E N -1.463 118.693 120.200 -0.074 0.000 2.369 15 E HA 0.653 5.003 4.350 -0.001 0.000 0.270 15 E C -1.539 174.974 176.600 -0.145 0.000 0.909 15 E CA -0.766 55.579 56.400 -0.091 0.000 0.775 15 E CB 3.238 32.889 29.700 -0.082 0.000 1.270 15 E HN 0.892 nan 8.360 nan 0.000 0.445 16 V N 0.855 120.664 119.914 -0.175 0.000 3.012 16 V HA 0.453 4.572 4.120 -0.001 0.000 0.307 16 V C -1.518 174.471 176.094 -0.176 0.000 1.166 16 V CA -0.258 61.874 62.300 -0.281 0.000 0.974 16 V CB 2.507 33.945 31.823 -0.641 0.000 1.040 16 V HN 0.709 nan 8.190 nan 0.000 0.428 17 T N 7.329 121.796 114.554 -0.144 0.000 2.756 17 T HA 0.534 4.884 4.350 -0.001 0.000 0.290 17 T C -0.195 174.482 174.700 -0.039 0.000 0.985 17 T CA -0.270 61.793 62.100 -0.063 0.000 0.955 17 T CB 0.662 69.506 68.868 -0.039 0.000 0.930 17 T HN 0.484 nan 8.240 nan 0.000 0.451 18 I N 3.157 123.729 120.570 0.004 0.000 2.588 18 I HA 0.141 4.310 4.170 -0.001 0.000 0.283 18 I C 1.183 177.322 176.117 0.037 0.000 1.119 18 I CA 0.140 61.470 61.300 0.049 0.000 1.419 18 I CB 0.353 38.394 38.000 0.069 0.000 1.394 18 I HN 0.566 nan 8.210 nan 0.000 0.562 19 S N 3.936 119.667 115.700 0.052 0.000 2.686 19 S HA 0.507 4.976 4.470 -0.001 0.000 0.270 19 S C 0.632 175.237 174.600 0.008 0.000 1.194 19 S CA -0.567 57.650 58.200 0.028 0.000 0.990 19 S CB 1.178 64.402 63.200 0.040 0.000 1.029 19 S HN 0.850 nan 8.310 nan 0.000 0.560 20 G N 0.138 108.932 108.800 -0.009 0.000 2.554 20 G HA2 0.441 4.401 3.960 -0.001 0.000 0.238 20 G HA3 0.441 4.401 3.960 -0.001 0.000 0.238 20 G C -0.085 174.801 174.900 -0.024 0.000 1.259 20 G CA -0.346 44.739 45.100 -0.024 0.000 0.843 20 G HN 0.884 nan 8.290 nan 0.000 0.582 21 A N 1.478 124.282 122.820 -0.026 0.000 2.491 21 A HA 0.265 4.584 4.320 -0.001 0.000 0.261 21 A C 1.636 179.203 177.584 -0.028 0.000 1.101 21 A CA 0.273 52.292 52.037 -0.030 0.000 0.772 21 A CB 0.288 19.272 19.000 -0.027 0.000 1.043 21 A HN 0.926 nan 8.150 nan 0.000 0.501 22 K N 2.581 122.960 120.400 -0.035 0.000 2.032 22 K HA -0.184 4.136 4.320 -0.001 0.000 0.209 22 K C 0.518 177.138 176.600 0.033 0.000 1.048 22 K CA 2.006 58.285 56.287 -0.013 0.000 0.927 22 K CB -0.128 32.348 32.500 -0.040 0.000 0.712 22 K HN 0.720 nan 8.250 nan 0.000 0.441 23 N N 0.038 118.760 118.700 0.037 0.000 2.434 23 N HA 0.016 4.756 4.740 -0.001 0.000 0.196 23 N C 0.520 176.058 175.510 0.047 0.000 1.183 23 N CA 0.734 53.842 53.050 0.097 0.000 0.849 23 N CB 0.866 39.414 38.487 0.102 0.000 0.992 23 N HN 0.373 nan 8.380 nan 0.000 0.460 24 A N -0.170 122.648 122.820 -0.004 0.000 2.026 24 A HA 0.459 4.779 4.320 -0.001 0.000 0.198 24 A C 2.102 179.634 177.584 -0.088 0.000 1.390 24 A CA 0.641 52.647 52.037 -0.052 0.000 0.915 24 A CB -0.307 18.674 19.000 -0.031 0.000 0.974 24 A HN 0.181 nan 8.150 nan 0.000 0.477 25 A N 0.421 123.206 122.820 -0.059 0.000 1.902 25 A HA -0.006 4.313 4.320 -0.001 0.000 0.217 25 A C 2.105 179.648 177.584 -0.069 0.000 1.181 25 A CA 1.500 53.483 52.037 -0.089 0.000 0.623 25 A CB -0.691 18.272 19.000 -0.061 0.000 0.818 25 A HN 0.433 nan 8.150 nan 0.000 0.443 26 L N -0.034 121.215 121.223 0.045 0.000 1.994 26 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 26 L C -0.197 176.796 176.870 0.204 0.000 1.071 26 L CA 1.843 56.810 54.840 0.212 0.000 0.745 26 L CB -1.413 40.908 42.059 0.437 0.000 0.892 26 L HN 0.313 nan 8.230 nan 0.000 0.431 27 P HA -0.160 nan 4.420 nan 0.000 0.221 27 P C 1.797 178.933 177.300 -0.274 0.000 1.150 27 P CA 1.570 64.311 63.100 -0.598 0.000 0.800 27 P CB 0.069 31.140 31.700 -1.047 0.000 0.787 28 I N -0.705 119.702 120.570 -0.271 0.000 2.353 28 I HA -0.170 4.000 4.170 -0.001 0.000 0.248 28 I C 2.623 178.517 176.117 -0.371 0.000 1.119 28 I CA 0.940 61.978 61.300 -0.437 0.000 1.417 28 I CB -0.489 37.093 38.000 -0.697 0.000 1.078 28 I HN -0.147 nan 8.210 nan 0.000 0.421 29 L N -0.376 120.699 121.223 -0.246 0.000 2.046 29 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 29 L C 2.402 179.176 176.870 -0.160 0.000 1.077 29 L CA 1.587 56.290 54.840 -0.228 0.000 0.747 29 L CB -0.479 41.419 42.059 -0.268 0.000 0.896 29 L HN 0.147 nan 8.230 nan 0.000 0.432 30 F N -0.472 119.478 119.950 -0.001 0.000 2.259 30 F HA -0.102 4.425 4.527 0.000 0.000 0.298 30 F C 2.532 178.377 175.800 0.075 0.000 1.088 30 F CA 0.854 58.898 58.000 0.073 0.000 1.358 30 F CB -0.416 38.669 39.000 0.142 0.000 1.040 30 F HN -0.001 nan 8.300 nan 0.000 0.505 31 A N 0.036 122.981 122.820 0.209 0.000 2.015 31 A HA -0.044 4.276 4.320 -0.001 0.000 0.219 31 A C 2.329 180.084 177.584 0.285 0.000 1.163 31 A CA 1.347 53.516 52.037 0.220 0.000 0.646 31 A CB -1.077 18.074 19.000 0.251 0.000 0.806 31 A HN 0.283 nan 8.150 nan 0.000 0.448 32 A N -0.265 122.728 122.820 0.289 0.000 2.125 32 A HA 0.001 4.321 4.320 -0.001 0.000 0.219 32 A C 1.941 179.639 177.584 0.190 0.000 1.156 32 A CA 1.154 53.357 52.037 0.277 0.000 0.671 32 A CB -0.572 18.539 19.000 0.185 0.000 0.794 32 A HN 0.494 nan 8.150 nan 0.000 0.459 33 L N -0.792 120.549 121.223 0.196 0.000 2.353 33 L HA -0.145 4.195 4.340 -0.001 0.000 0.220 33 L C 2.055 179.065 176.870 0.233 0.000 1.133 33 L CA 0.657 55.636 54.840 0.231 0.000 0.798 33 L CB -0.311 41.918 42.059 0.283 0.000 0.922 33 L HN 0.429 nan 8.230 nan 0.000 0.445 34 L N -0.660 120.658 121.223 0.157 0.000 2.341 34 L HA 0.103 4.442 4.340 -0.001 0.000 0.214 34 L C 1.387 178.275 176.870 0.030 0.000 1.115 34 L CA -0.334 54.549 54.840 0.073 0.000 0.820 34 L CB -0.340 41.736 42.059 0.028 0.000 0.944 34 L HN 0.111 nan 8.230 nan 0.000 0.452 35 A N 0.471 123.325 122.820 0.056 0.000 2.454 35 A HA 0.092 4.412 4.320 -0.001 0.000 0.260 35 A C 0.992 178.607 177.584 0.053 0.000 1.106 35 A CA -0.145 51.910 52.037 0.030 0.000 0.780 35 A CB 0.201 19.232 19.000 0.052 0.000 1.044 35 A HN 0.316 nan 8.150 nan 0.000 0.498 36 E N 1.504 121.718 120.200 0.023 0.000 2.340 36 E HA -0.003 4.347 4.350 -0.001 0.000 0.194 36 E C 0.040 176.667 176.600 0.045 0.000 0.996 36 E CA 0.475 56.896 56.400 0.036 0.000 0.869 36 E CB 0.387 30.090 29.700 0.006 0.000 0.835 36 E HN 0.841 nan 8.360 nan 0.000 0.493 37 E N 0.968 121.190 120.200 0.038 0.000 2.232 37 E HA 0.288 4.638 4.350 -0.001 0.000 0.264 37 E C -2.602 174.039 176.600 0.068 0.000 0.973 37 E CA -2.428 53.999 56.400 0.046 0.000 0.849 37 E CB 1.282 31.000 29.700 0.031 0.000 1.198 37 E HN -0.157 nan 8.360 nan 0.000 0.407 38 P HA -0.011 nan 4.420 nan 0.000 0.267 38 P C -1.113 176.262 177.300 0.125 0.000 1.200 38 P CA 0.197 63.364 63.100 0.111 0.000 0.772 38 P CB 0.515 32.284 31.700 0.115 0.000 0.855 39 V N 2.070 122.075 119.914 0.151 0.000 2.962 39 V HA 0.446 4.565 4.120 -0.001 0.000 0.313 39 V C -0.268 175.896 176.094 0.117 0.000 1.099 39 V CA -0.559 61.833 62.300 0.154 0.000 0.971 39 V CB 2.259 34.200 31.823 0.198 0.000 1.028 39 V HN 0.489 nan 8.190 nan 0.000 0.430 40 E N 2.945 123.173 120.200 0.047 0.000 2.244 40 E HA 0.531 4.881 4.350 -0.001 0.000 0.260 40 E C -1.678 174.811 176.600 -0.185 0.000 0.884 40 E CA -0.526 55.745 56.400 -0.215 0.000 0.777 40 E CB 1.632 31.203 29.700 -0.216 0.000 1.197 40 E HN 0.649 nan 8.360 nan 0.000 0.416 41 I N 4.529 124.926 120.570 -0.290 0.000 2.307 41 I HA 0.183 4.353 4.170 -0.001 0.000 0.289 41 I C 0.286 176.231 176.117 -0.287 0.000 1.021 41 I CA -0.490 60.680 61.300 -0.216 0.000 1.224 41 I CB 1.357 39.208 38.000 -0.247 0.000 1.376 41 I HN 0.378 nan 8.210 nan 0.000 0.470 42 Q N 3.979 123.652 119.800 -0.211 0.000 2.212 42 Q HA 0.276 4.615 4.340 -0.001 0.000 0.238 42 Q C 0.387 176.295 176.000 -0.153 0.000 0.955 42 Q CA -0.717 54.960 55.803 -0.209 0.000 0.906 42 Q CB 0.676 29.315 28.738 -0.165 0.000 1.215 42 Q HN 0.582 nan 8.270 nan 0.000 0.478 43 N N -0.687 117.937 118.700 -0.127 0.000 2.735 43 N HA -0.167 4.572 4.740 -0.001 0.000 0.248 43 N C -1.651 173.811 175.510 -0.080 0.000 1.083 43 N CA 0.247 53.245 53.050 -0.087 0.000 0.703 43 N CB -0.910 37.529 38.487 -0.079 0.000 1.005 43 N HN 0.329 nan 8.380 nan 0.000 0.550 44 V N 1.737 121.592 119.914 -0.097 0.000 2.432 44 V HA 0.367 4.487 4.120 -0.001 0.000 0.271 44 V C -1.387 174.679 176.094 -0.047 0.000 1.046 44 V CA -1.061 61.189 62.300 -0.083 0.000 0.945 44 V CB 1.112 32.869 31.823 -0.111 0.000 0.992 44 V HN 0.215 nan 8.190 nan 0.000 0.471 45 P HA 0.154 nan 4.420 nan 0.000 0.272 45 P C -0.766 176.536 177.300 0.003 0.000 1.223 45 P CA -0.456 62.641 63.100 -0.006 0.000 0.784 45 P CB 0.869 32.567 31.700 -0.004 0.000 0.923 46 K N 2.734 123.147 120.400 0.022 0.000 2.206 46 K HA 0.378 4.698 4.320 -0.001 0.000 0.268 46 K C -0.155 176.470 176.600 0.041 0.000 1.111 46 K CA -0.190 56.115 56.287 0.030 0.000 0.955 46 K CB -0.122 32.401 32.500 0.038 0.000 1.406 46 K HN 0.424 nan 8.250 nan 0.000 0.427 47 L N 1.100 122.343 121.223 0.033 0.000 2.323 47 L HA 0.359 4.698 4.340 -0.001 0.000 0.265 47 L C 1.416 178.309 176.870 0.038 0.000 1.012 47 L CA -1.078 53.788 54.840 0.042 0.000 0.820 47 L CB 1.258 43.337 42.059 0.032 0.000 1.334 47 L HN 0.277 nan 8.230 nan 0.000 0.427 48 K N 0.685 121.112 120.400 0.046 0.000 2.103 48 K HA -0.170 4.150 4.320 -0.001 0.000 0.207 48 K C 1.066 177.686 176.600 0.033 0.000 1.048 48 K CA 1.715 58.024 56.287 0.038 0.000 0.930 48 K CB 0.080 32.607 32.500 0.045 0.000 0.716 48 K HN 0.615 nan 8.250 nan 0.000 0.444 49 D N 0.574 121.000 120.400 0.042 0.000 2.178 49 D HA -0.119 4.521 4.640 -0.001 0.000 0.202 49 D C 1.835 178.163 176.300 0.047 0.000 0.974 49 D CA 0.542 54.574 54.000 0.053 0.000 0.841 49 D CB 0.055 40.896 40.800 0.068 0.000 0.953 49 D HN 0.160 nan 8.370 nan 0.000 0.478 50 I N 1.349 121.936 120.570 0.028 0.000 2.439 50 I HA -0.163 4.007 4.170 -0.001 0.000 0.251 50 I C 1.659 177.771 176.117 -0.008 0.000 1.139 50 I CA 1.020 62.322 61.300 0.003 0.000 1.438 50 I CB -0.728 37.268 38.000 -0.006 0.000 1.085 50 I HN -0.057 nan 8.210 nan 0.000 0.427 51 D N 0.676 121.079 120.400 0.006 0.000 2.097 51 D HA -0.125 4.515 4.640 -0.001 0.000 0.197 51 D C 2.142 178.441 176.300 -0.002 0.000 0.984 51 D CA 1.586 55.587 54.000 0.003 0.000 0.826 51 D CB -0.293 40.512 40.800 0.009 0.000 0.973 51 D HN 0.235 nan 8.370 nan 0.000 0.460 52 T N 0.545 115.105 114.554 0.009 0.000 2.720 52 T HA -0.117 4.233 4.350 -0.001 0.000 0.268 52 T C 2.027 176.737 174.700 0.016 0.000 1.037 52 T CA 1.674 63.784 62.100 0.016 0.000 1.144 52 T CB -0.477 68.409 68.868 0.029 0.000 0.864 52 T HN 0.147 nan 8.240 nan 0.000 0.444 53 T N 2.112 116.667 114.554 0.001 0.000 2.708 53 T HA -0.003 4.346 4.350 -0.001 0.000 0.266 53 T C 2.060 176.674 174.700 -0.144 0.000 1.037 53 T CA 1.142 63.182 62.100 -0.099 0.000 1.146 53 T CB -0.353 68.402 68.868 -0.188 0.000 0.865 53 T HN 0.320 nan 8.240 nan 0.000 0.435 54 M N 0.697 120.242 119.600 -0.092 0.000 2.159 54 M HA -0.097 4.383 4.480 -0.001 0.000 0.263 54 M C 2.404 178.679 176.300 -0.042 0.000 1.063 54 M CA 1.502 56.761 55.300 -0.069 0.000 1.110 54 M CB -0.318 32.261 32.600 -0.034 0.000 1.374 54 M HN 0.142 nan 8.290 nan 0.000 0.411 55 K N 1.071 121.457 120.400 -0.024 0.000 2.026 55 K HA -0.183 4.136 4.320 -0.001 0.000 0.208 55 K C 1.928 178.524 176.600 -0.007 0.000 1.048 55 K CA 1.298 57.579 56.287 -0.010 0.000 0.929 55 K CB -0.269 32.230 32.500 -0.002 0.000 0.713 55 K HN 0.320 nan 8.250 nan 0.000 0.439 56 L N 1.215 122.440 121.223 0.003 0.000 2.012 56 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 56 L C 2.310 179.186 176.870 0.009 0.000 1.073 56 L CA 1.269 56.129 54.840 0.033 0.000 0.748 56 L CB -0.249 41.872 42.059 0.104 0.000 0.891 56 L HN 0.310 nan 8.230 nan 0.000 0.431 57 L N -0.760 120.438 121.223 -0.042 0.000 2.012 57 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 57 L C 2.524 179.377 176.870 -0.029 0.000 1.073 57 L CA 2.000 56.812 54.840 -0.047 0.000 0.748 57 L CB -0.968 41.032 42.059 -0.097 0.000 0.891 57 L HN 0.307 nan 8.230 nan 0.000 0.431 58 T N -1.277 113.261 114.554 -0.027 0.000 2.759 58 T HA -0.291 4.059 4.350 -0.001 0.000 0.269 58 T C 1.809 176.490 174.700 -0.032 0.000 1.042 58 T CA 1.365 63.451 62.100 -0.023 0.000 1.140 58 T CB -0.176 68.683 68.868 -0.015 0.000 0.864 58 T HN 0.359 nan 8.240 nan 0.000 0.455 59 Q N 0.113 119.897 119.800 -0.027 0.000 2.436 59 Q HA 0.081 4.421 4.340 -0.001 0.000 0.209 59 Q C 1.660 177.620 176.000 -0.067 0.000 0.965 59 Q CA 0.603 56.386 55.803 -0.035 0.000 0.910 59 Q CB -0.120 28.611 28.738 -0.011 0.000 0.980 59 Q HN 0.503 nan 8.270 nan 0.000 0.491 60 L N -1.255 119.922 121.223 -0.076 0.000 2.592 60 L HA 0.242 4.582 4.340 -0.001 0.000 0.227 60 L C 0.966 177.717 176.870 -0.197 0.000 1.127 60 L CA 0.509 55.260 54.840 -0.148 0.000 0.884 60 L CB 0.458 42.461 42.059 -0.093 0.000 1.065 60 L HN 0.410 nan 8.230 nan 0.000 0.457 61 G N 0.282 109.009 108.800 -0.122 0.000 2.145 61 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.176 61 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.176 61 G C 0.109 174.976 174.900 -0.055 0.000 1.013 61 G CA -0.080 44.957 45.100 -0.105 0.000 0.689 61 G HN 0.202 nan 8.290 nan 0.000 0.506 62 T N 0.642 115.176 114.554 -0.033 0.000 2.907 62 T HA 0.549 4.899 4.350 -0.001 0.000 0.284 62 T C 0.279 174.984 174.700 0.009 0.000 1.004 62 T CA -0.258 61.843 62.100 0.002 0.000 1.063 62 T CB 1.549 70.422 68.868 0.010 0.000 0.992 62 T HN 0.271 nan 8.240 nan 0.000 0.483 63 K N 2.166 122.584 120.400 0.029 0.000 2.264 63 K HA 0.573 4.892 4.320 -0.001 0.000 0.277 63 K C -1.054 175.577 176.600 0.053 0.000 1.067 63 K CA -0.510 55.797 56.287 0.034 0.000 0.900 63 K CB 0.989 33.512 32.500 0.038 0.000 1.124 63 K HN 0.260 nan 8.250 nan 0.000 0.469 64 V N 3.071 123.013 119.914 0.046 0.000 2.656 64 V HA 0.414 4.533 4.120 -0.001 0.000 0.307 64 V C -0.615 175.528 176.094 0.082 0.000 1.051 64 V CA -0.885 61.454 62.300 0.065 0.000 0.893 64 V CB 1.754 33.593 31.823 0.026 0.000 0.999 64 V HN 0.877 nan 8.190 nan 0.000 0.426 65 E N 3.964 124.252 120.200 0.146 0.000 2.375 65 E HA 0.795 5.144 4.350 -0.001 0.000 0.280 65 E C -1.086 175.697 176.600 0.305 0.000 0.972 65 E CA -1.272 55.226 56.400 0.164 0.000 0.782 65 E CB 2.714 32.480 29.700 0.110 0.000 1.229 65 E HN 0.756 nan 8.360 nan 0.000 0.439 66 R N 0.542 121.195 120.500 0.255 0.000 2.846 66 R HA 0.452 4.791 4.340 -0.001 0.000 0.263 66 R C -0.617 175.858 176.300 0.291 0.000 1.080 66 R CA -0.489 55.795 56.100 0.307 0.000 0.961 66 R CB 0.557 30.930 30.300 0.122 0.000 1.231 66 R HN 0.550 nan 8.270 nan 0.000 0.465 67 D N 0.281 120.847 120.400 0.276 0.000 2.101 67 D HA 0.064 4.703 4.640 -0.001 0.000 0.286 67 D C 1.409 177.774 176.300 0.109 0.000 1.145 67 D CA 0.900 55.023 54.000 0.205 0.000 0.883 67 D CB -1.035 39.896 40.800 0.219 0.000 0.935 67 D HN 0.617 nan 8.370 nan 0.000 0.313 68 G N -1.089 107.753 108.800 0.069 0.000 2.662 68 G HA2 0.171 4.131 3.960 -0.001 0.000 0.212 68 G HA3 0.171 4.131 3.960 -0.001 0.000 0.212 68 G C 0.475 175.306 174.900 -0.116 0.000 1.141 68 G CA 0.215 45.308 45.100 -0.012 0.000 0.797 68 G HN 0.362 nan 8.290 nan 0.000 0.531 69 S N -1.153 114.397 115.700 -0.249 0.000 2.718 69 S HA 0.660 5.129 4.470 -0.001 0.000 0.300 69 S C -0.851 173.398 174.600 -0.585 0.000 1.117 69 S CA -0.493 57.360 58.200 -0.578 0.000 1.002 69 S CB 2.439 64.983 63.200 -1.092 0.000 1.092 69 S HN -0.051 nan 8.310 nan 0.000 0.542 70 V N 1.878 121.454 119.914 -0.563 0.000 2.407 70 V HA 0.352 4.472 4.120 -0.001 0.000 0.291 70 V C -1.044 174.858 176.094 -0.320 0.000 1.018 70 V CA -0.621 61.522 62.300 -0.263 0.000 0.842 70 V CB 1.111 32.844 31.823 -0.151 0.000 0.996 70 V HN 0.781 nan 8.190 nan 0.000 0.426 71 W N 5.492 126.793 121.300 0.001 0.000 2.361 71 W HA 0.574 5.235 4.660 0.001 0.000 0.309 71 W C -0.721 175.805 176.519 0.012 0.000 1.122 71 W CA -0.573 56.781 57.345 0.014 0.000 1.208 71 W CB 1.623 31.091 29.460 0.015 0.000 1.246 71 W HN 0.299 nan 8.180 nan 0.000 0.490 72 I N 3.130 123.810 120.570 0.184 0.000 2.509 72 I HA 0.160 4.329 4.170 -0.001 0.000 0.293 72 I C -0.553 175.645 176.117 0.134 0.000 1.020 72 I CA -0.590 60.785 61.300 0.126 0.000 1.088 72 I CB 1.916 39.962 38.000 0.077 0.000 1.267 72 I HN 0.284 nan 8.210 nan 0.000 0.430 73 D N 4.706 125.171 120.400 0.108 0.000 2.346 73 D HA 0.525 5.164 4.640 -0.001 0.000 0.255 73 D C 0.183 176.536 176.300 0.087 0.000 1.276 73 D CA -0.280 53.778 54.000 0.097 0.000 0.941 73 D CB 1.570 42.421 40.800 0.084 0.000 1.199 73 D HN 0.603 nan 8.370 nan 0.000 0.537 74 A N 2.233 125.115 122.820 0.104 0.000 2.308 74 A HA 0.086 4.406 4.320 -0.001 0.000 0.217 74 A C 1.984 179.660 177.584 0.153 0.000 1.216 74 A CA 0.691 52.804 52.037 0.125 0.000 0.864 74 A CB -0.234 18.860 19.000 0.156 0.000 0.902 74 A HN 0.517 nan 8.150 nan 0.000 0.499 75 S N 0.687 116.459 115.700 0.121 0.000 2.409 75 S HA -0.225 4.245 4.470 -0.001 0.000 0.237 75 S C 1.051 175.738 174.600 0.145 0.000 1.060 75 S CA 1.766 60.036 58.200 0.117 0.000 1.052 75 S CB -0.469 62.780 63.200 0.082 0.000 0.871 75 S HN 0.513 nan 8.310 nan 0.000 0.465 76 N N 1.350 120.121 118.700 0.119 0.000 2.699 76 N HA 0.298 5.038 4.740 -0.001 0.000 0.317 76 N C -1.149 174.398 175.510 0.062 0.000 1.661 76 N CA -0.158 52.954 53.050 0.103 0.000 0.979 76 N CB 0.964 39.485 38.487 0.057 0.000 1.329 76 N HN 0.194 nan 8.380 nan 0.000 0.497 77 V N 2.945 122.920 119.914 0.102 0.000 2.521 77 V HA 0.056 4.176 4.120 -0.001 0.000 0.286 77 V C 1.173 177.077 176.094 -0.316 0.000 1.034 77 V CA 0.083 62.298 62.300 -0.142 0.000 1.045 77 V CB 0.783 32.451 31.823 -0.260 0.000 0.974 77 V HN 0.532 nan 8.190 nan 0.000 0.480 78 N N 2.907 121.344 118.700 -0.439 0.000 2.184 78 N HA 0.124 4.863 4.740 -0.001 0.000 0.234 78 N C -0.200 174.810 175.510 -0.833 0.000 1.282 78 N CA -0.327 52.434 53.050 -0.481 0.000 0.877 78 N CB 0.625 38.989 38.487 -0.205 0.000 1.184 78 N HN 0.591 nan 8.380 nan 0.000 0.510 79 N N 0.094 118.101 118.700 -1.155 0.000 2.242 79 N HA 0.433 5.173 4.740 -0.001 0.000 0.292 79 N C -1.737 173.046 175.510 -1.212 0.000 1.125 79 N CA -0.602 51.850 53.050 -0.997 0.000 0.783 79 N CB 1.074 39.306 38.487 -0.424 0.000 1.558 79 N HN -0.030 nan 8.380 nan 0.000 0.472 80 F N -0.163 119.736 119.950 -0.085 0.000 2.810 80 F HA 0.422 4.948 4.527 -0.001 0.000 0.353 80 F C 0.534 176.343 175.800 0.014 0.000 1.227 80 F CA -0.529 57.438 58.000 -0.054 0.000 1.210 80 F CB 0.368 39.333 39.000 -0.058 0.000 1.039 80 F HN 0.281 nan 8.300 nan 0.000 0.509 81 S N 1.076 116.835 115.700 0.098 0.000 2.566 81 S HA 0.889 5.358 4.470 -0.001 0.000 0.298 81 S C -0.700 173.984 174.600 0.141 0.000 1.083 81 S CA -0.400 57.878 58.200 0.130 0.000 0.978 81 S CB 1.567 64.811 63.200 0.073 0.000 1.073 81 S HN 0.209 nan 8.310 nan 0.000 0.491 82 A N 4.839 127.782 122.820 0.205 0.000 2.483 82 A HA 0.630 4.949 4.320 -0.001 0.000 0.308 82 A C -2.797 174.929 177.584 0.237 0.000 1.291 82 A CA -1.683 50.461 52.037 0.178 0.000 0.774 82 A CB 0.652 19.739 19.000 0.144 0.000 1.134 82 A HN 0.642 nan 8.150 nan 0.000 0.471 83 P HA -0.104 nan 4.420 nan 0.000 0.265 83 P C 0.415 177.820 177.300 0.176 0.000 1.193 83 P CA 0.303 63.569 63.100 0.277 0.000 0.765 83 P CB 0.597 32.404 31.700 0.179 0.000 0.823 84 Y N 4.751 125.089 120.300 0.063 0.000 2.062 84 Y HA -0.331 4.219 4.550 -0.000 0.000 0.276 84 Y C 1.950 177.837 175.900 -0.022 0.000 1.189 84 Y CA 2.733 60.796 58.100 -0.063 0.000 1.130 84 Y CB -0.801 37.634 38.460 -0.042 0.000 0.959 84 Y HN 0.399 nan 8.280 nan 0.000 0.499 85 D N -0.257 120.167 120.400 0.039 0.000 2.265 85 D HA -0.232 4.407 4.640 -0.001 0.000 0.208 85 D C 2.159 178.390 176.300 -0.114 0.000 0.977 85 D CA 1.446 55.406 54.000 -0.066 0.000 0.871 85 D CB -0.539 40.292 40.800 0.051 0.000 0.925 85 D HN 0.499 nan 8.370 nan 0.000 0.485 86 L N 0.672 121.852 121.223 -0.072 0.000 2.269 86 L HA -0.037 4.302 4.340 -0.001 0.000 0.200 86 L C 2.517 179.336 176.870 -0.085 0.000 1.069 86 L CA 0.330 55.140 54.840 -0.051 0.000 0.804 86 L CB 0.125 42.191 42.059 0.013 0.000 0.987 86 L HN -0.044 nan 8.230 nan 0.000 0.468 87 V N -0.693 119.157 119.914 -0.107 0.000 2.809 87 V HA -0.201 3.919 4.120 -0.001 0.000 0.256 87 V C 2.233 178.204 176.094 -0.205 0.000 1.080 87 V CA 1.717 63.941 62.300 -0.127 0.000 1.102 87 V CB -0.852 30.898 31.823 -0.121 0.000 0.705 87 V HN 0.616 nan 8.190 nan 0.000 0.475 88 K N 1.681 121.878 120.400 -0.338 0.000 2.442 88 K HA -0.090 4.230 4.320 -0.001 0.000 0.198 88 K C 1.728 178.192 176.600 -0.226 0.000 1.042 88 K CA 1.685 57.736 56.287 -0.392 0.000 0.958 88 K CB -0.669 31.403 32.500 -0.713 0.000 0.766 88 K HN 0.660 nan 8.250 nan 0.000 0.474 89 T N -2.224 112.229 114.554 -0.168 0.000 3.022 89 T HA 0.201 4.550 4.350 -0.001 0.000 0.250 89 T C 0.559 175.219 174.700 -0.067 0.000 1.060 89 T CA -0.421 61.615 62.100 -0.106 0.000 1.013 89 T CB 0.056 68.869 68.868 -0.091 0.000 0.982 89 T HN 0.263 nan 8.240 nan 0.000 0.508 90 M N 2.079 121.635 119.600 -0.074 0.000 2.380 90 M HA 0.328 4.807 4.480 -0.001 0.000 0.202 90 M C 0.416 176.660 176.300 -0.093 0.000 0.975 90 M CA -0.602 54.668 55.300 -0.050 0.000 0.971 90 M CB 1.209 33.816 32.600 0.012 0.000 2.685 90 M HN 0.150 nan 8.290 nan 0.000 0.431 91 R N 1.829 122.246 120.500 -0.140 0.000 2.193 91 R HA 0.034 4.373 4.340 -0.001 0.000 0.229 91 R C 1.258 177.370 176.300 -0.313 0.000 1.110 91 R CA 1.538 57.514 56.100 -0.207 0.000 0.988 91 R CB -0.528 29.649 30.300 -0.206 0.000 0.871 91 R HN 0.630 nan 8.270 nan 0.000 0.458 92 A N 1.785 124.424 122.820 -0.302 0.000 2.186 92 A HA -0.137 4.183 4.320 -0.001 0.000 0.219 92 A C 2.118 179.406 177.584 -0.494 0.000 1.159 92 A CA 1.388 53.127 52.037 -0.497 0.000 0.680 92 A CB -0.546 18.326 19.000 -0.213 0.000 0.787 92 A HN 0.580 nan 8.150 nan 0.000 0.467 93 S N -0.249 115.293 115.700 -0.262 0.000 2.507 93 S HA -0.116 4.354 4.470 -0.001 0.000 0.235 93 S C 1.558 175.914 174.600 -0.406 0.000 0.988 93 S CA 0.933 58.979 58.200 -0.257 0.000 0.944 93 S CB -0.586 62.664 63.200 0.083 0.000 0.762 93 S HN 0.488 nan 8.310 nan 0.000 0.526 94 I N 1.102 121.418 120.570 -0.423 0.000 2.530 94 I HA -0.057 4.113 4.170 -0.001 0.000 0.257 94 I C 1.467 177.429 176.117 -0.257 0.000 1.179 94 I CA 0.730 61.819 61.300 -0.350 0.000 1.440 94 I CB -0.600 37.101 38.000 -0.499 0.000 1.087 94 I HN 0.350 nan 8.210 nan 0.000 0.440 95 W N 0.542 121.532 121.300 -0.516 0.000 2.848 95 W HA 0.091 4.751 4.660 -0.000 0.000 0.241 95 W C 2.254 178.572 176.519 -0.335 0.000 1.289 95 W CA 0.707 57.788 57.345 -0.440 0.000 1.396 95 W CB -1.147 27.976 29.460 -0.562 0.000 1.138 95 W HN 0.327 nan 8.180 nan 0.000 0.677 96 A N -0.541 122.218 122.820 -0.102 0.000 2.030 96 A HA -0.031 4.289 4.320 -0.001 0.000 0.215 96 A C 1.931 179.636 177.584 0.202 0.000 1.164 96 A CA 0.558 52.727 52.037 0.220 0.000 0.697 96 A CB -0.538 18.655 19.000 0.322 0.000 0.827 96 A HN 0.118 nan 8.150 nan 0.000 0.457 97 L N 0.443 121.747 121.223 0.135 0.000 1.990 97 L HA -0.099 4.241 4.340 -0.001 0.000 0.213 97 L C 2.410 179.373 176.870 0.156 0.000 1.072 97 L CA 2.412 57.336 54.840 0.139 0.000 0.755 97 L CB -1.056 41.064 42.059 0.101 0.000 0.889 97 L HN 0.321 nan 8.230 nan 0.000 0.432 98 G N -0.716 108.184 108.800 0.166 0.000 2.545 98 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.217 98 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.217 98 G C -0.604 174.383 174.900 0.144 0.000 1.218 98 G CA 1.041 46.230 45.100 0.148 0.000 0.787 98 G HN 0.383 nan 8.290 nan 0.000 0.571 99 P HA -0.046 nan 4.420 nan 0.000 0.215 99 P C 2.147 179.592 177.300 0.242 0.000 1.153 99 P CA 0.746 63.958 63.100 0.186 0.000 0.853 99 P CB -0.134 31.704 31.700 0.230 0.000 0.788 100 L N -0.904 120.498 121.223 0.297 0.000 2.012 100 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 100 L C 2.484 179.522 176.870 0.280 0.000 1.073 100 L CA 1.518 56.593 54.840 0.392 0.000 0.748 100 L CB -1.266 40.992 42.059 0.331 0.000 0.891 100 L HN -0.073 nan 8.230 nan 0.000 0.431 101 V N -0.252 119.759 119.914 0.161 0.000 2.515 101 V HA -0.170 3.950 4.120 -0.001 0.000 0.250 101 V C 2.478 178.601 176.094 0.048 0.000 1.058 101 V CA 1.693 64.042 62.300 0.082 0.000 1.064 101 V CB 0.029 31.890 31.823 0.064 0.000 0.675 101 V HN 0.405 nan 8.190 nan 0.000 0.461 102 A N -0.035 122.817 122.820 0.055 0.000 1.968 102 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 102 A C 2.421 179.974 177.584 -0.052 0.000 1.169 102 A CA 1.656 53.697 52.037 0.005 0.000 0.638 102 A CB -0.440 18.569 19.000 0.015 0.000 0.812 102 A HN 0.589 nan 8.150 nan 0.000 0.446 103 R N -2.310 118.146 120.500 -0.073 0.000 2.146 103 R HA 0.172 4.511 4.340 -0.001 0.000 0.206 103 R C 0.542 176.527 176.300 -0.525 0.000 1.049 103 R CA 0.681 56.586 56.100 -0.326 0.000 1.029 103 R CB 0.047 30.070 30.300 -0.462 0.000 0.949 103 R HN 0.437 nan 8.270 nan 0.000 0.471 104 F N -0.486 119.432 119.950 -0.054 0.000 2.682 104 F HA 0.403 4.930 4.527 -0.001 0.000 0.308 104 F C 1.294 176.950 175.800 -0.241 0.000 1.093 104 F CA 0.350 58.246 58.000 -0.173 0.000 1.244 104 F CB 1.370 40.169 39.000 -0.334 0.000 1.052 104 F HN 0.261 nan 8.300 nan 0.000 0.573 105 G N 1.091 109.873 108.800 -0.029 0.000 2.189 105 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.267 105 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.267 105 G C 0.100 174.960 174.900 -0.068 0.000 0.975 105 G CA 0.660 45.730 45.100 -0.050 0.000 0.644 105 G HN 0.536 nan 8.290 nan 0.000 0.537 106 Q N -1.891 117.849 119.800 -0.101 0.000 2.575 106 Q HA 0.667 5.006 4.340 -0.001 0.000 0.290 106 Q C -0.455 175.523 176.000 -0.036 0.000 0.963 106 Q CA -0.523 55.220 55.803 -0.100 0.000 0.783 106 Q CB 1.710 30.337 28.738 -0.185 0.000 1.467 106 Q HN 1.708 nan 8.270 nan 0.000 0.402 107 G N 0.977 109.808 108.800 0.051 0.000 2.429 107 G HA2 0.426 4.385 3.960 -0.001 0.000 0.300 107 G HA3 0.426 4.385 3.960 -0.001 0.000 0.300 107 G C -2.201 172.783 174.900 0.140 0.000 1.598 107 G CA -0.496 44.691 45.100 0.144 0.000 0.863 107 G HN 0.822 nan 8.290 nan 0.000 0.614 108 Q N -0.369 119.536 119.800 0.175 0.000 2.271 108 Q HA 0.745 5.085 4.340 -0.001 0.000 0.268 108 Q C -1.567 174.574 176.000 0.237 0.000 1.021 108 Q CA -1.090 54.828 55.803 0.192 0.000 0.802 108 Q CB 2.821 31.666 28.738 0.179 0.000 1.282 108 Q HN 0.543 nan 8.270 nan 0.000 0.431 109 V N 1.443 121.477 119.914 0.201 0.000 2.735 109 V HA 0.457 4.576 4.120 -0.001 0.000 0.310 109 V C -0.150 175.952 176.094 0.013 0.000 1.061 109 V CA -0.839 61.538 62.300 0.129 0.000 0.913 109 V CB 1.978 33.825 31.823 0.039 0.000 1.005 109 V HN 0.913 nan 8.190 nan 0.000 0.428 110 S N 3.965 119.563 115.700 -0.171 0.000 2.525 110 S HA 0.224 4.693 4.470 -0.001 0.000 0.285 110 S C -0.090 174.367 174.600 -0.238 0.000 1.283 110 S CA -0.386 57.501 58.200 -0.522 0.000 1.072 110 S CB -0.012 62.912 63.200 -0.460 0.000 0.867 110 S HN 0.645 nan 8.310 nan 0.000 0.492 111 L N 8.109 129.210 121.223 -0.203 0.000 2.562 111 L HA 0.235 4.575 4.340 -0.001 0.000 0.271 111 L C -1.671 175.145 176.870 -0.091 0.000 1.167 111 L CA -1.483 53.289 54.840 -0.112 0.000 0.917 111 L CB 0.490 42.506 42.059 -0.072 0.000 1.187 111 L HN 0.590 nan 8.230 nan 0.000 0.482 112 P HA 0.088 nan 4.420 nan 0.000 0.268 112 P C -0.021 177.244 177.300 -0.058 0.000 1.205 112 P CA -0.215 62.825 63.100 -0.100 0.000 0.771 112 P CB 0.966 32.578 31.700 -0.145 0.000 0.858 113 G N 1.813 110.595 108.800 -0.031 0.000 2.531 113 G HA2 0.476 4.436 3.960 -0.001 0.000 0.253 113 G HA3 0.476 4.436 3.960 -0.001 0.000 0.253 113 G C 0.222 175.107 174.900 -0.024 0.000 1.439 113 G CA -0.439 44.657 45.100 -0.007 0.000 1.056 113 G HN 0.619 nan 8.290 nan 0.000 0.555 114 G N -2.089 106.704 108.800 -0.011 0.000 2.569 114 G HA2 0.400 4.359 3.960 -0.001 0.000 0.249 114 G HA3 0.400 4.359 3.960 -0.001 0.000 0.249 114 G C -0.312 174.572 174.900 -0.025 0.000 1.216 114 G CA 0.132 45.224 45.100 -0.014 0.000 0.845 114 G HN 0.704 nan 8.290 nan 0.000 0.568 115 C N 0.318 119.599 119.300 -0.032 0.000 2.630 115 C HA 0.720 5.180 4.460 -0.001 0.000 0.346 115 C C 1.969 176.931 174.990 -0.046 0.000 1.245 115 C CA 0.263 59.250 59.018 -0.051 0.000 1.804 115 C CB 1.221 28.908 27.740 -0.088 0.000 2.279 115 C HN 1.028 nan 8.230 nan 0.000 0.498 116 A N 1.538 124.325 122.820 -0.054 0.000 1.877 116 A HA -0.077 4.242 4.320 -0.001 0.000 0.216 116 A C 1.722 179.263 177.584 -0.072 0.000 1.186 116 A CA 2.119 54.126 52.037 -0.051 0.000 0.620 116 A CB -0.747 18.220 19.000 -0.055 0.000 0.822 116 A HN 1.082 nan 8.150 nan 0.000 0.443 117 I N -4.040 116.449 120.570 -0.134 0.000 3.564 117 I HA 0.446 4.616 4.170 -0.001 0.000 0.294 117 I C 0.741 176.822 176.117 -0.060 0.000 1.289 117 I CA 0.477 61.687 61.300 -0.150 0.000 1.325 117 I CB -0.413 37.388 38.000 -0.332 0.000 1.039 117 I HN 0.301 nan 8.210 nan 0.000 0.474 118 G N -0.158 108.629 108.800 -0.022 0.000 2.340 118 G HA2 0.418 4.378 3.960 -0.001 0.000 0.298 118 G HA3 0.418 4.378 3.960 -0.001 0.000 0.298 118 G C 0.046 174.976 174.900 0.049 0.000 1.498 118 G CA -0.278 44.867 45.100 0.075 0.000 0.847 118 G HN 0.031 nan 8.290 nan 0.000 0.594 119 A N -0.020 122.830 122.820 0.051 0.000 2.015 119 A HA 0.223 4.542 4.320 -0.001 0.000 0.219 119 A C 1.564 179.165 177.584 0.029 0.000 1.163 119 A CA 1.691 53.744 52.037 0.026 0.000 0.646 119 A CB -0.542 18.468 19.000 0.018 0.000 0.806 119 A HN 1.388 nan 8.150 nan 0.000 0.448 120 R N -1.024 119.520 120.500 0.074 0.000 3.092 120 R HA -0.128 4.212 4.340 -0.001 0.000 0.245 120 R C -2.294 174.016 176.300 0.017 0.000 0.881 120 R CA 0.413 56.561 56.100 0.081 0.000 0.614 120 R CB -1.940 28.407 30.300 0.079 0.000 1.128 120 R HN 0.544 nan 8.270 nan 0.000 0.483 121 P HA 0.013 nan 4.420 nan 0.000 0.271 121 P C 0.189 177.491 177.300 0.003 0.000 1.244 121 P CA -0.208 62.891 63.100 -0.001 0.000 0.793 121 P CB 0.987 32.690 31.700 0.006 0.000 0.984 122 V N 0.752 120.661 119.914 -0.009 0.000 3.078 122 V HA -0.009 4.111 4.120 -0.001 0.000 0.344 122 V C 1.638 177.803 176.094 0.119 0.000 1.409 122 V CA 0.169 62.467 62.300 -0.003 0.000 1.146 122 V CB -0.539 31.149 31.823 -0.224 0.000 1.126 122 V HN 0.612 nan 8.190 nan 0.000 0.513 123 D N 0.447 120.904 120.400 0.094 0.000 2.133 123 D HA -0.275 4.365 4.640 -0.001 0.000 0.195 123 D C 1.779 178.179 176.300 0.165 0.000 0.997 123 D CA 1.601 55.663 54.000 0.103 0.000 0.840 123 D CB -0.136 40.693 40.800 0.048 0.000 0.947 123 D HN 0.510 nan 8.370 nan 0.000 0.452 124 L N -0.013 121.302 121.223 0.153 0.000 2.131 124 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 124 L C 2.844 179.843 176.870 0.215 0.000 1.092 124 L CA 0.964 55.897 54.840 0.156 0.000 0.759 124 L CB -0.679 41.407 42.059 0.046 0.000 0.903 124 L HN 0.137 nan 8.230 nan 0.000 0.435 125 H N 0.075 119.215 119.070 0.118 0.000 2.293 125 H HA -0.139 4.417 4.556 -0.001 0.000 0.300 125 H C 2.460 177.853 175.328 0.109 0.000 1.082 125 H CA 1.888 58.002 56.048 0.109 0.000 1.308 125 H CB 0.042 29.843 29.762 0.065 0.000 1.375 125 H HN 0.323 nan 8.280 nan 0.000 0.495 126 I N 0.347 121.066 120.570 0.248 0.000 2.179 126 I HA -0.288 3.882 4.170 -0.001 0.000 0.242 126 I C 2.570 178.777 176.117 0.150 0.000 1.088 126 I CA 1.127 62.524 61.300 0.161 0.000 1.357 126 I CB -0.383 37.695 38.000 0.130 0.000 1.051 126 I HN 0.082 nan 8.210 nan 0.000 0.409 127 F N 1.940 121.920 119.950 0.050 0.000 2.091 127 F HA -0.198 4.329 4.527 -0.001 0.000 0.299 127 F C 2.269 178.083 175.800 0.024 0.000 1.103 127 F CA 1.828 59.845 58.000 0.029 0.000 1.228 127 F CB -0.855 38.156 39.000 0.019 0.000 0.984 127 F HN -0.002 nan 8.300 nan 0.000 0.477 128 G N 0.904 109.721 108.800 0.029 0.000 2.421 128 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.216 128 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.216 128 G C 1.772 176.600 174.900 -0.120 0.000 1.171 128 G CA 1.109 46.154 45.100 -0.092 0.000 0.775 128 G HN 0.453 nan 8.290 nan 0.000 0.543 129 L N 0.050 121.255 121.223 -0.030 0.000 2.083 129 L HA -0.066 4.273 4.340 -0.001 0.000 0.209 129 L C 2.886 179.718 176.870 -0.064 0.000 1.083 129 L CA 1.243 56.072 54.840 -0.019 0.000 0.752 129 L CB -0.449 41.632 42.059 0.036 0.000 0.899 129 L HN 0.306 nan 8.230 nan 0.000 0.433 130 E N -0.040 120.104 120.200 -0.094 0.000 2.110 130 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 130 E C 2.118 178.616 176.600 -0.169 0.000 0.988 130 E CA 0.842 57.176 56.400 -0.109 0.000 0.804 130 E CB 0.090 29.732 29.700 -0.096 0.000 0.745 130 E HN 0.298 nan 8.360 nan 0.000 0.458 131 K N 0.396 120.619 120.400 -0.296 0.000 2.283 131 K HA -0.075 4.244 4.320 -0.001 0.000 0.202 131 K C 1.851 178.359 176.600 -0.153 0.000 1.048 131 K CA 0.661 56.774 56.287 -0.289 0.000 0.948 131 K CB 0.006 32.230 32.500 -0.460 0.000 0.742 131 K HN 0.242 nan 8.250 nan 0.000 0.458 132 L N -0.401 120.752 121.223 -0.117 0.000 2.591 132 L HA 0.060 4.400 4.340 -0.001 0.000 0.228 132 L C 1.167 178.006 176.870 -0.051 0.000 1.133 132 L CA 0.453 55.253 54.840 -0.067 0.000 0.880 132 L CB 0.015 42.046 42.059 -0.047 0.000 1.033 132 L HN 0.377 nan 8.230 nan 0.000 0.450 133 G N -0.461 108.304 108.800 -0.058 0.000 2.201 133 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.212 133 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.212 133 G C 0.400 175.282 174.900 -0.030 0.000 0.994 133 G CA -0.149 44.927 45.100 -0.041 0.000 0.644 133 G HN 0.417 nan 8.290 nan 0.000 0.508 134 A N 0.214 123.017 122.820 -0.027 0.000 2.407 134 A HA 0.623 4.942 4.320 -0.001 0.000 0.248 134 A C 0.320 177.899 177.584 -0.009 0.000 1.082 134 A CA 0.716 52.746 52.037 -0.012 0.000 0.785 134 A CB 0.507 19.508 19.000 0.002 0.000 1.020 134 A HN 0.594 nan 8.150 nan 0.000 0.489 135 E N 1.504 121.704 120.200 0.000 0.000 2.151 135 E HA 0.574 4.924 4.350 -0.001 0.000 0.275 135 E C -1.271 175.339 176.600 0.017 0.000 0.936 135 E CA -0.318 56.085 56.400 0.005 0.000 0.777 135 E CB 0.666 30.368 29.700 0.004 0.000 1.108 135 E HN 0.572 nan 8.360 nan 0.000 0.401 136 I N 4.487 125.071 120.570 0.023 0.000 2.569 136 I HA 0.405 4.574 4.170 -0.001 0.000 0.296 136 I C -0.685 175.455 176.117 0.037 0.000 1.028 136 I CA -0.859 60.462 61.300 0.036 0.000 1.082 136 I CB 1.891 39.917 38.000 0.044 0.000 1.264 136 I HN 0.470 nan 8.210 nan 0.000 0.429 137 K N 5.221 125.647 120.400 0.043 0.000 2.523 137 K HA 0.632 4.951 4.320 -0.001 0.000 0.257 137 K C -1.784 174.848 176.600 0.053 0.000 0.932 137 K CA -0.928 55.384 56.287 0.042 0.000 0.812 137 K CB 2.585 35.106 32.500 0.035 0.000 1.326 137 K HN 0.396 nan 8.250 nan 0.000 0.433 138 L N 2.440 123.693 121.223 0.049 0.000 2.265 138 L HA 0.359 4.698 4.340 -0.001 0.000 0.289 138 L C -1.119 175.788 176.870 0.060 0.000 1.033 138 L CA 0.394 55.268 54.840 0.057 0.000 0.814 138 L CB 0.648 42.731 42.059 0.040 0.000 1.203 138 L HN 0.830 nan 8.230 nan 0.000 0.423 139 E N 3.503 123.756 120.200 0.089 0.000 2.275 139 E HA 0.387 4.737 4.350 -0.001 0.000 0.270 139 E C -0.832 175.847 176.600 0.131 0.000 0.882 139 E CA -0.690 55.758 56.400 0.080 0.000 0.758 139 E CB 1.158 30.890 29.700 0.053 0.000 1.195 139 E HN 0.611 nan 8.360 nan 0.000 0.419 140 E N 1.571 121.831 120.200 0.101 0.000 2.513 140 E HA -0.288 4.061 4.350 -0.001 0.000 0.257 140 E C 0.622 177.353 176.600 0.218 0.000 1.098 140 E CA 0.660 57.140 56.400 0.133 0.000 0.752 140 E CB -1.641 28.133 29.700 0.123 0.000 1.324 140 E HN 1.225 nan 8.360 nan 0.000 0.403 141 G N -0.957 107.902 108.800 0.098 0.000 2.162 141 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.260 141 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.260 141 G C -0.254 174.575 174.900 -0.119 0.000 0.976 141 G CA 0.760 45.846 45.100 -0.023 0.000 0.655 141 G HN 0.312 nan 8.290 nan 0.000 0.533 142 Y N -1.090 119.220 120.300 0.016 0.000 2.377 142 Y HA 0.554 5.103 4.550 -0.001 0.000 0.339 142 Y C 0.443 176.358 175.900 0.026 0.000 1.011 142 Y CA -0.855 57.262 58.100 0.030 0.000 1.093 142 Y CB 2.208 40.688 38.460 0.033 0.000 1.201 142 Y HN 0.234 nan 8.280 nan 0.000 0.455 143 V N 5.696 125.686 119.914 0.127 0.000 2.353 143 V HA 0.337 4.456 4.120 -0.001 0.000 0.264 143 V C -0.731 175.436 176.094 0.123 0.000 1.049 143 V CA -0.552 61.804 62.300 0.092 0.000 0.896 143 V CB -0.274 31.575 31.823 0.043 0.000 1.025 143 V HN 0.685 nan 8.190 nan 0.000 0.475 144 K N 6.303 126.770 120.400 0.111 0.000 2.240 144 K HA 0.767 5.087 4.320 -0.001 0.000 0.271 144 K C -0.292 176.348 176.600 0.068 0.000 1.018 144 K CA -0.176 56.169 56.287 0.096 0.000 0.874 144 K CB 1.899 34.447 32.500 0.080 0.000 1.098 144 K HN 0.781 nan 8.250 nan 0.000 0.458 145 A N 1.902 124.761 122.820 0.065 0.000 2.355 145 A HA 0.741 5.061 4.320 -0.001 0.000 0.324 145 A C -0.643 176.959 177.584 0.031 0.000 1.117 145 A CA -0.618 51.448 52.037 0.048 0.000 0.785 145 A CB 1.268 20.302 19.000 0.057 0.000 1.254 145 A HN 0.710 nan 8.150 nan 0.000 0.453 146 S N -0.271 115.438 115.700 0.016 0.000 2.570 146 S HA 0.779 5.248 4.470 -0.001 0.000 0.270 146 S C -1.372 173.225 174.600 -0.005 0.000 1.149 146 S CA -0.461 57.738 58.200 -0.001 0.000 0.837 146 S CB 1.332 64.528 63.200 -0.005 0.000 1.124 146 S HN 2.148 nan 8.310 nan 0.000 0.465 147 V N 1.252 121.157 119.914 -0.015 0.000 2.924 147 V HA 0.513 4.633 4.120 -0.001 0.000 0.300 147 V C -1.454 174.627 176.094 -0.022 0.000 1.227 147 V CA -0.670 61.620 62.300 -0.017 0.000 0.954 147 V CB 1.842 33.655 31.823 -0.017 0.000 1.055 147 V HN 1.105 nan 8.190 nan 0.000 0.429 148 N N 4.628 123.316 118.700 -0.019 0.000 2.406 148 N HA 0.554 5.294 4.740 -0.001 0.000 0.251 148 N C 0.353 175.850 175.510 -0.022 0.000 1.069 148 N CA 0.850 53.888 53.050 -0.020 0.000 0.947 148 N CB 0.871 39.349 38.487 -0.015 0.000 1.111 148 N HN 1.419 nan 8.380 nan 0.000 0.497 149 G N 2.669 111.453 108.800 -0.026 0.000 2.527 149 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.227 149 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.227 149 G C -0.610 174.269 174.900 -0.035 0.000 1.291 149 G CA -0.716 44.366 45.100 -0.030 0.000 0.904 149 G HN 0.590 nan 8.290 nan 0.000 0.577 150 R N -0.541 119.938 120.500 -0.035 0.000 2.560 150 R HA 0.561 4.901 4.340 -0.001 0.000 0.270 150 R C 0.651 176.932 176.300 -0.032 0.000 1.074 150 R CA -0.588 55.489 56.100 -0.038 0.000 1.140 150 R CB 0.474 30.750 30.300 -0.040 0.000 1.073 150 R HN 0.458 nan 8.270 nan 0.000 0.527 151 L N 1.368 122.572 121.223 -0.031 0.000 2.453 151 L HA 0.239 4.579 4.340 -0.001 0.000 0.261 151 L C 0.501 177.354 176.870 -0.029 0.000 1.179 151 L CA 0.016 54.839 54.840 -0.028 0.000 0.813 151 L CB 0.319 42.364 42.059 -0.024 0.000 1.110 151 L HN 0.379 nan 8.230 nan 0.000 0.466 152 K N 0.473 120.856 120.400 -0.029 0.000 2.206 152 K HA 0.414 4.734 4.320 -0.001 0.000 0.264 152 K C -0.041 176.543 176.600 -0.027 0.000 0.967 152 K CA -0.569 55.702 56.287 -0.027 0.000 0.844 152 K CB 1.508 33.993 32.500 -0.025 0.000 1.099 152 K HN 0.684 nan 8.250 nan 0.000 0.441 153 G N 1.895 110.680 108.800 -0.024 0.000 2.484 153 G HA2 0.395 4.355 3.960 -0.001 0.000 0.235 153 G HA3 0.395 4.355 3.960 -0.001 0.000 0.235 153 G C -0.776 174.115 174.900 -0.014 0.000 1.282 153 G CA -0.036 45.051 45.100 -0.021 0.000 0.857 153 G HN 0.718 nan 8.290 nan 0.000 0.571 154 A N 1.254 124.072 122.820 -0.003 0.000 2.609 154 A HA 0.658 4.977 4.320 -0.001 0.000 0.291 154 A C -0.937 176.696 177.584 0.081 0.000 1.096 154 A CA -0.723 51.326 52.037 0.020 0.000 0.684 154 A CB 1.087 20.080 19.000 -0.013 0.000 1.282 154 A HN 0.939 nan 8.150 nan 0.000 0.412 155 H N 1.013 120.072 119.070 -0.018 0.000 2.690 155 H HA 0.592 5.148 4.556 -0.001 0.000 0.289 155 H C -1.002 174.331 175.328 0.009 0.000 1.089 155 H CA -0.445 55.602 56.048 -0.002 0.000 1.299 155 H CB 0.180 29.944 29.762 0.004 0.000 1.405 155 H HN 0.469 nan 8.280 nan 0.000 0.463 156 I N 6.267 126.931 120.570 0.156 0.000 2.362 156 I HA 0.163 4.333 4.170 -0.001 0.000 0.289 156 I C -0.465 175.701 176.117 0.083 0.000 0.994 156 I CA -0.980 60.368 61.300 0.081 0.000 1.158 156 I CB 1.803 39.845 38.000 0.069 0.000 1.315 156 I HN 0.286 nan 8.210 nan 0.000 0.451 157 V N 6.677 126.632 119.914 0.068 0.000 2.350 157 V HA 0.311 4.431 4.120 -0.001 0.000 0.276 157 V C 0.406 176.544 176.094 0.075 0.000 1.028 157 V CA -0.639 61.675 62.300 0.024 0.000 0.860 157 V CB 1.319 33.107 31.823 -0.057 0.000 0.990 157 V HN 0.597 nan 8.190 nan 0.000 0.453 158 M N 3.254 122.881 119.600 0.045 0.000 2.194 158 M HA 0.197 4.677 4.480 -0.001 0.000 0.347 158 M C 1.048 177.305 176.300 -0.072 0.000 1.439 158 M CA -0.088 55.213 55.300 0.003 0.000 1.131 158 M CB 0.111 32.720 32.600 0.014 0.000 1.733 158 M HN 0.549 nan 8.290 nan 0.000 0.467 159 D N 2.993 123.295 120.400 -0.165 0.000 2.116 159 D HA -0.095 4.545 4.640 -0.001 0.000 0.193 159 D C 0.272 176.508 176.300 -0.108 0.000 0.998 159 D CA 1.590 55.491 54.000 -0.165 0.000 0.836 159 D CB 0.443 41.096 40.800 -0.245 0.000 0.951 159 D HN 0.537 nan 8.370 nan 0.000 0.449 160 K N -0.586 119.755 120.400 -0.098 0.000 2.400 160 K HA 0.509 4.829 4.320 -0.001 0.000 0.246 160 K C -0.895 175.674 176.600 -0.053 0.000 0.995 160 K CA -0.898 55.345 56.287 -0.074 0.000 0.840 160 K CB 3.077 35.530 32.500 -0.079 0.000 1.293 160 K HN -0.322 nan 8.250 nan 0.000 0.445 161 V N 1.697 121.584 119.914 -0.046 0.000 2.408 161 V HA 0.154 4.274 4.120 -0.001 0.000 0.267 161 V C -0.173 175.903 176.094 -0.029 0.000 1.047 161 V CA -0.050 62.233 62.300 -0.028 0.000 0.937 161 V CB 0.867 32.678 31.823 -0.021 0.000 0.999 161 V HN 0.735 nan 8.190 nan 0.000 0.472 162 S N 4.144 119.837 115.700 -0.012 0.000 2.647 162 S HA 0.423 4.893 4.470 -0.001 0.000 0.300 162 S C 0.541 175.163 174.600 0.038 0.000 1.129 162 S CA -0.613 57.589 58.200 0.003 0.000 1.029 162 S CB 1.901 65.096 63.200 -0.009 0.000 1.007 162 S HN 0.315 nan 8.310 nan 0.000 0.484 163 V N 5.437 125.401 119.914 0.083 0.000 2.270 163 V HA 0.004 4.124 4.120 -0.001 0.000 0.245 163 V C 2.693 178.924 176.094 0.229 0.000 1.043 163 V CA 2.518 64.899 62.300 0.135 0.000 1.014 163 V CB -1.284 30.640 31.823 0.169 0.000 0.645 163 V HN 0.957 nan 8.190 nan 0.000 0.447 164 G N -0.299 108.687 108.800 0.310 0.000 2.459 164 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.217 164 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.217 164 G C 1.776 176.772 174.900 0.160 0.000 1.183 164 G CA 1.182 46.599 45.100 0.527 0.000 0.776 164 G HN 0.618 nan 8.290 nan 0.000 0.552 165 A N 0.014 122.613 122.820 -0.369 0.000 1.933 165 A HA -0.007 4.313 4.320 -0.001 0.000 0.218 165 A C 2.521 180.002 177.584 -0.172 0.000 1.175 165 A CA 2.443 54.099 52.037 -0.634 0.000 0.628 165 A CB -0.908 17.870 19.000 -0.371 0.000 0.814 165 A HN 0.311 nan 8.150 nan 0.000 0.444 166 T N -0.389 114.138 114.554 -0.045 0.000 2.746 166 T HA -0.112 4.237 4.350 -0.001 0.000 0.267 166 T C 1.875 176.573 174.700 -0.003 0.000 1.039 166 T CA 1.548 63.645 62.100 -0.004 0.000 1.142 166 T CB -0.373 68.504 68.868 0.014 0.000 0.866 166 T HN 0.168 nan 8.240 nan 0.000 0.444 167 V N 1.385 121.311 119.914 0.021 0.000 2.295 167 V HA -0.192 3.928 4.120 -0.001 0.000 0.246 167 V C 2.795 178.866 176.094 -0.037 0.000 1.049 167 V CA 2.018 64.273 62.300 -0.075 0.000 1.024 167 V CB -1.142 30.515 31.823 -0.277 0.000 0.648 167 V HN 0.503 nan 8.190 nan 0.000 0.447 168 T N 0.429 115.048 114.554 0.108 0.000 2.652 168 T HA -0.190 4.160 4.350 -0.001 0.000 0.267 168 T C 1.793 176.537 174.700 0.073 0.000 1.039 168 T CA 2.140 64.342 62.100 0.169 0.000 1.153 168 T CB -0.319 68.721 68.868 0.287 0.000 0.863 168 T HN 0.342 nan 8.240 nan 0.000 0.428 169 I N 0.684 121.273 120.570 0.032 0.000 2.179 169 I HA -0.181 3.989 4.170 -0.001 0.000 0.242 169 I C 2.616 178.737 176.117 0.007 0.000 1.088 169 I CA 1.377 62.688 61.300 0.018 0.000 1.357 169 I CB -0.414 37.594 38.000 0.014 0.000 1.051 169 I HN 0.261 nan 8.210 nan 0.000 0.409 170 M N 0.366 119.964 119.600 -0.004 0.000 2.108 170 M HA -0.221 4.259 4.480 -0.001 0.000 0.261 170 M C 2.406 178.694 176.300 -0.021 0.000 1.066 170 M CA 1.891 57.182 55.300 -0.016 0.000 1.107 170 M CB -0.018 32.566 32.600 -0.027 0.000 1.356 170 M HN 0.124 nan 8.290 nan 0.000 0.406 171 S N 0.697 116.385 115.700 -0.019 0.000 2.355 171 S HA -0.049 4.421 4.470 -0.001 0.000 0.222 171 S C 2.027 176.630 174.600 0.005 0.000 1.031 171 S CA 1.304 59.498 58.200 -0.010 0.000 0.993 171 S CB -0.525 62.675 63.200 -0.001 0.000 0.859 171 S HN 0.697 nan 8.310 nan 0.000 0.453 172 A N 1.458 124.290 122.820 0.021 0.000 1.933 172 A HA 0.135 4.455 4.320 -0.001 0.000 0.218 172 A C 2.284 179.866 177.584 -0.002 0.000 1.175 172 A CA 1.607 53.657 52.037 0.021 0.000 0.628 172 A CB -0.939 18.082 19.000 0.035 0.000 0.814 172 A HN 0.511 nan 8.150 nan 0.000 0.444 173 A N -0.094 122.721 122.820 -0.009 0.000 2.067 173 A HA -0.060 4.260 4.320 -0.001 0.000 0.219 173 A C 2.322 179.889 177.584 -0.029 0.000 1.158 173 A CA 2.194 54.220 52.037 -0.019 0.000 0.661 173 A CB -1.331 17.660 19.000 -0.017 0.000 0.801 173 A HN 0.791 nan 8.150 nan 0.000 0.452 174 T N -1.968 112.567 114.554 -0.033 0.000 2.881 174 T HA -0.035 4.315 4.350 -0.001 0.000 0.270 174 T C 1.291 175.961 174.700 -0.049 0.000 1.068 174 T CA 1.440 63.512 62.100 -0.047 0.000 1.131 174 T CB -0.347 68.485 68.868 -0.060 0.000 0.871 174 T HN 0.325 nan 8.240 nan 0.000 0.479 175 L N 0.585 121.781 121.223 -0.045 0.000 2.769 175 L HA 0.542 4.882 4.340 -0.001 0.000 0.240 175 L C 1.266 178.108 176.870 -0.047 0.000 1.163 175 L CA -0.591 54.217 54.840 -0.053 0.000 0.962 175 L CB -0.267 41.753 42.059 -0.065 0.000 1.258 175 L HN 0.304 nan 8.230 nan 0.000 0.513 176 A N 0.266 123.063 122.820 -0.038 0.000 2.287 176 A HA 0.248 4.568 4.320 -0.001 0.000 0.273 176 A C 0.085 177.649 177.584 -0.035 0.000 1.091 176 A CA -0.249 51.768 52.037 -0.034 0.000 0.817 176 A CB 0.442 19.424 19.000 -0.029 0.000 1.069 176 A HN 0.254 nan 8.150 nan 0.000 0.492 177 E N -0.000 120.181 120.200 -0.032 0.000 2.044 177 E HA 0.466 4.816 4.350 -0.001 0.000 0.282 177 E C 0.479 177.063 176.600 -0.028 0.000 1.031 177 E CA 0.747 57.129 56.400 -0.030 0.000 0.824 177 E CB 0.195 29.878 29.700 -0.028 0.000 1.076 177 E HN 1.333 nan 8.360 nan 0.000 0.395 178 G N 2.693 111.476 108.800 -0.028 0.000 2.447 178 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.220 178 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.220 178 G C -0.571 174.311 174.900 -0.030 0.000 1.261 178 G CA -0.591 44.492 45.100 -0.028 0.000 1.000 178 G HN 0.461 nan 8.290 nan 0.000 0.515 179 T N 1.089 115.624 114.554 -0.032 0.000 2.824 179 T HA 0.707 5.057 4.350 -0.001 0.000 0.280 179 T C -0.031 174.649 174.700 -0.034 0.000 0.995 179 T CA 0.213 62.291 62.100 -0.036 0.000 1.009 179 T CB 1.552 70.392 68.868 -0.045 0.000 0.955 179 T HN 0.741 nan 8.240 nan 0.000 0.452 180 T N 3.491 118.028 114.554 -0.029 0.000 2.856 180 T HA 0.656 5.006 4.350 -0.001 0.000 0.283 180 T C -0.393 174.299 174.700 -0.014 0.000 1.008 180 T CA -0.521 61.571 62.100 -0.014 0.000 0.997 180 T CB 0.703 69.566 68.868 -0.008 0.000 0.992 180 T HN 0.410 nan 8.240 nan 0.000 0.454 181 I N 3.321 123.900 120.570 0.014 0.000 2.478 181 I HA 0.430 4.600 4.170 -0.001 0.000 0.287 181 I C -0.706 175.492 176.117 0.136 0.000 1.042 181 I CA -0.760 60.557 61.300 0.028 0.000 1.067 181 I CB 1.774 39.710 38.000 -0.107 0.000 1.233 181 I HN 0.467 nan 8.210 nan 0.000 0.431 182 I N 5.918 126.542 120.570 0.091 0.000 2.307 182 I HA 0.258 4.428 4.170 -0.001 0.000 0.289 182 I C 0.088 176.263 176.117 0.097 0.000 1.021 182 I CA -0.582 60.775 61.300 0.094 0.000 1.224 182 I CB 0.849 38.882 38.000 0.054 0.000 1.376 182 I HN 0.433 nan 8.210 nan 0.000 0.470 183 E N 5.020 125.286 120.200 0.110 0.000 2.266 183 E HA 0.117 4.467 4.350 -0.001 0.000 0.277 183 E C 0.153 176.780 176.600 0.045 0.000 1.018 183 E CA -0.343 56.106 56.400 0.082 0.000 0.840 183 E CB 1.056 30.791 29.700 0.059 0.000 1.082 183 E HN 0.554 nan 8.360 nan 0.000 0.395 184 N N 0.618 119.337 118.700 0.032 0.000 2.758 184 N HA -0.221 4.518 4.740 -0.001 0.000 0.248 184 N C -1.138 174.383 175.510 0.018 0.000 1.076 184 N CA 0.797 53.856 53.050 0.017 0.000 0.696 184 N CB -0.851 37.637 38.487 0.001 0.000 0.979 184 N HN 0.570 nan 8.380 nan 0.000 0.550 185 A N -0.089 122.747 122.820 0.027 0.000 2.366 185 A HA 0.710 5.030 4.320 -0.001 0.000 0.249 185 A C 0.908 178.506 177.584 0.025 0.000 1.084 185 A CA 0.138 52.190 52.037 0.025 0.000 0.794 185 A CB 0.357 19.373 19.000 0.027 0.000 1.034 185 A HN 0.868 nan 8.150 nan 0.000 0.491 186 A N 0.640 123.476 122.820 0.026 0.000 2.425 186 A HA 0.498 4.818 4.320 -0.001 0.000 0.249 186 A C 0.683 178.293 177.584 0.043 0.000 1.084 186 A CA -0.276 51.782 52.037 0.035 0.000 0.781 186 A CB 0.049 19.072 19.000 0.039 0.000 1.019 186 A HN 0.762 nan 8.150 nan 0.000 0.490 187 R N 0.494 121.036 120.500 0.070 0.000 2.468 187 R HA 0.182 4.522 4.340 -0.001 0.000 0.280 187 R C -0.490 175.869 176.300 0.099 0.000 0.963 187 R CA -0.146 56.010 56.100 0.093 0.000 1.083 187 R CB 0.080 30.454 30.300 0.123 0.000 1.200 187 R HN 0.739 nan 8.270 nan 0.000 0.541 188 E N 1.266 121.486 120.200 0.033 0.000 2.568 188 E HA -0.056 4.293 4.350 -0.001 0.000 0.262 188 E C -1.603 174.892 176.600 -0.176 0.000 0.961 188 E CA -1.149 55.172 56.400 -0.131 0.000 0.945 188 E CB 0.377 30.040 29.700 -0.061 0.000 0.924 188 E HN -0.058 nan 8.360 nan 0.000 0.467 189 P HA -0.190 nan 4.420 nan 0.000 0.217 189 P C 0.371 177.615 177.300 -0.094 0.000 1.148 189 P CA 1.240 64.227 63.100 -0.187 0.000 0.828 189 P CB 0.304 31.864 31.700 -0.232 0.000 0.783 190 E N -1.013 119.131 120.200 -0.094 0.000 2.110 190 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 190 E C 1.959 178.523 176.600 -0.059 0.000 0.988 190 E CA 0.824 57.190 56.400 -0.058 0.000 0.804 190 E CB -0.880 28.797 29.700 -0.039 0.000 0.745 190 E HN 0.199 nan 8.360 nan 0.000 0.458 191 I N 0.250 120.789 120.570 -0.051 0.000 2.226 191 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 191 I C 2.129 178.224 176.117 -0.036 0.000 1.100 191 I CA 0.953 62.226 61.300 -0.045 0.000 1.374 191 I CB -0.990 36.999 38.000 -0.019 0.000 1.057 191 I HN 0.021 nan 8.210 nan 0.000 0.413 192 V N 0.977 120.878 119.914 -0.022 0.000 2.343 192 V HA -0.293 3.826 4.120 -0.001 0.000 0.247 192 V C 2.266 178.367 176.094 0.012 0.000 1.051 192 V CA 2.157 64.456 62.300 -0.001 0.000 1.036 192 V CB -0.694 31.135 31.823 0.010 0.000 0.654 192 V HN 0.311 nan 8.190 nan 0.000 0.451 193 D N -0.327 120.084 120.400 0.018 0.000 2.117 193 D HA -0.135 4.504 4.640 -0.001 0.000 0.198 193 D C 2.271 178.540 176.300 -0.053 0.000 0.982 193 D CA 1.684 55.725 54.000 0.068 0.000 0.828 193 D CB -0.100 40.750 40.800 0.084 0.000 0.967 193 D HN 0.388 nan 8.370 nan 0.000 0.464 194 T N -0.377 114.127 114.554 -0.082 0.000 2.777 194 T HA -0.084 4.265 4.350 -0.001 0.000 0.266 194 T C 1.915 176.572 174.700 -0.072 0.000 1.040 194 T CA 1.269 63.306 62.100 -0.104 0.000 1.141 194 T CB -0.391 68.390 68.868 -0.144 0.000 0.868 194 T HN 0.203 nan 8.240 nan 0.000 0.444 195 A N 2.652 125.431 122.820 -0.067 0.000 1.883 195 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 195 A C 2.230 179.763 177.584 -0.084 0.000 1.186 195 A CA 1.593 53.593 52.037 -0.062 0.000 0.624 195 A CB -0.672 18.305 19.000 -0.037 0.000 0.822 195 A HN 0.389 nan 8.150 nan 0.000 0.444 196 N N -1.054 117.604 118.700 -0.069 0.000 2.289 196 N HA -0.122 4.618 4.740 -0.001 0.000 0.184 196 N C 1.351 176.724 175.510 -0.229 0.000 1.016 196 N CA 1.390 54.410 53.050 -0.049 0.000 0.872 196 N CB -0.577 37.989 38.487 0.133 0.000 0.973 196 N HN 0.572 nan 8.380 nan 0.000 0.433 197 F N 1.729 121.265 119.950 -0.691 0.000 2.113 197 F HA 0.001 4.528 4.527 -0.001 0.000 0.297 197 F C 1.992 177.580 175.800 -0.353 0.000 1.103 197 F CA 0.946 58.428 58.000 -0.863 0.000 1.248 197 F CB -0.531 37.952 39.000 -0.862 0.000 0.999 197 F HN -0.103 nan 8.300 nan 0.000 0.475 198 L N -0.361 120.605 121.223 -0.429 0.000 2.042 198 L HA -0.240 4.100 4.340 -0.001 0.000 0.210 198 L C 2.421 179.100 176.870 -0.317 0.000 1.076 198 L CA 1.187 55.781 54.840 -0.411 0.000 0.749 198 L CB -0.977 40.969 42.059 -0.189 0.000 0.893 198 L HN 0.037 nan 8.230 nan 0.000 0.432 199 V N 0.074 119.861 119.914 -0.213 0.000 2.407 199 V HA -0.292 3.828 4.120 -0.001 0.000 0.248 199 V C 2.708 178.718 176.094 -0.139 0.000 1.055 199 V CA 1.754 63.972 62.300 -0.136 0.000 1.049 199 V CB -0.834 30.945 31.823 -0.073 0.000 0.662 199 V HN 0.499 nan 8.190 nan 0.000 0.455 200 A N -0.490 122.225 122.820 -0.175 0.000 2.015 200 A HA -0.069 4.251 4.320 -0.001 0.000 0.219 200 A C 2.067 179.544 177.584 -0.179 0.000 1.163 200 A CA 1.325 53.293 52.037 -0.116 0.000 0.646 200 A CB -0.408 18.577 19.000 -0.025 0.000 0.806 200 A HN 0.539 nan 8.150 nan 0.000 0.448 201 L N -1.711 119.321 121.223 -0.318 0.000 2.599 201 L HA 0.186 4.525 4.340 -0.001 0.000 0.230 201 L C 1.671 178.440 176.870 -0.168 0.000 1.141 201 L CA 0.638 55.314 54.840 -0.274 0.000 0.877 201 L CB -0.044 41.771 42.059 -0.405 0.000 1.009 201 L HN 0.589 nan 8.230 nan 0.000 0.447 202 G N -0.677 108.036 108.800 -0.144 0.000 2.205 202 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.180 202 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.180 202 G C 0.401 175.244 174.900 -0.094 0.000 1.004 202 G CA -0.176 44.865 45.100 -0.098 0.000 0.670 202 G HN 0.403 nan 8.290 nan 0.000 0.496 203 A N 0.164 122.913 122.820 -0.119 0.000 2.406 203 A HA 0.628 4.947 4.320 -0.001 0.000 0.243 203 A C 0.439 177.977 177.584 -0.077 0.000 1.082 203 A CA 0.541 52.519 52.037 -0.099 0.000 0.786 203 A CB 0.302 19.232 19.000 -0.117 0.000 1.029 203 A HN 0.378 nan 8.150 nan 0.000 0.495 204 K N 1.082 121.445 120.400 -0.061 0.000 2.464 204 K HA 0.588 4.907 4.320 -0.001 0.000 0.252 204 K C -1.410 175.163 176.600 -0.044 0.000 1.000 204 K CA 0.280 56.538 56.287 -0.048 0.000 0.951 204 K CB 1.040 33.516 32.500 -0.041 0.000 1.183 204 K HN 0.586 nan 8.250 nan 0.000 0.445 205 I N 1.328 121.874 120.570 -0.041 0.000 2.686 205 I HA 0.343 4.512 4.170 -0.001 0.000 0.295 205 I C -0.416 175.686 176.117 -0.025 0.000 1.114 205 I CA -0.780 60.499 61.300 -0.035 0.000 1.038 205 I CB 2.381 40.357 38.000 -0.041 0.000 1.238 205 I HN 0.564 nan 8.210 nan 0.000 0.420 206 S N 2.008 117.696 115.700 -0.020 0.000 2.556 206 S HA 0.818 5.287 4.470 -0.001 0.000 0.271 206 S C 0.142 174.737 174.600 -0.009 0.000 1.135 206 S CA 0.016 58.208 58.200 -0.013 0.000 0.858 206 S CB 2.031 65.222 63.200 -0.014 0.000 1.114 206 S HN 1.400 nan 8.310 nan 0.000 0.468 207 G N 0.810 109.608 108.800 -0.003 0.000 2.213 207 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.236 207 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.236 207 G C 0.142 175.046 174.900 0.007 0.000 0.991 207 G CA 0.095 45.196 45.100 0.003 0.000 0.629 207 G HN 1.338 nan 8.290 nan 0.000 0.517 208 Q N 0.531 120.333 119.800 0.004 0.000 2.283 208 Q HA 0.366 4.706 4.340 -0.001 0.000 0.301 208 Q C 1.181 177.191 176.000 0.016 0.000 1.063 208 Q CA 1.242 57.049 55.803 0.006 0.000 0.952 208 Q CB 0.797 29.534 28.738 -0.001 0.000 1.166 208 Q HN 1.895 nan 8.270 nan 0.000 0.381 209 G N 2.176 110.990 108.800 0.024 0.000 2.213 209 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.226 209 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.226 209 G C 0.254 175.180 174.900 0.044 0.000 0.992 209 G CA 0.322 45.446 45.100 0.041 0.000 0.632 209 G HN 1.158 nan 8.290 nan 0.000 0.511 210 T N -1.689 112.883 114.554 0.030 0.000 2.919 210 T HA 0.568 4.918 4.350 -0.001 0.000 0.282 210 T C 0.805 175.521 174.700 0.026 0.000 1.020 210 T CA 0.602 62.718 62.100 0.026 0.000 0.994 210 T CB 1.609 70.488 68.868 0.018 0.000 1.180 210 T HN 0.112 nan 8.240 nan 0.000 0.566 211 D N -1.051 119.363 120.400 0.023 0.000 2.349 211 D HA 0.089 4.728 4.640 -0.001 0.000 0.224 211 D C 0.692 177.010 176.300 0.030 0.000 1.029 211 D CA -0.032 53.983 54.000 0.025 0.000 0.879 211 D CB -0.120 40.692 40.800 0.020 0.000 0.906 211 D HN 0.584 nan 8.370 nan 0.000 0.528 212 R N 0.889 121.406 120.500 0.029 0.000 2.435 212 R HA 0.464 4.804 4.340 -0.001 0.000 0.308 212 R C -1.563 174.750 176.300 0.022 0.000 0.975 212 R CA -0.517 55.604 56.100 0.035 0.000 0.867 212 R CB 0.490 30.811 30.300 0.036 0.000 1.171 212 R HN -0.018 nan 8.270 nan 0.000 0.470 213 I N 3.728 124.312 120.570 0.023 0.000 2.354 213 I HA 0.325 4.495 4.170 -0.001 0.000 0.292 213 I C -0.325 175.793 176.117 0.003 0.000 0.989 213 I CA -0.802 60.504 61.300 0.010 0.000 1.188 213 I CB 2.351 40.356 38.000 0.008 0.000 1.342 213 I HN 0.611 nan 8.210 nan 0.000 0.457 214 T N 7.142 121.690 114.554 -0.010 0.000 2.770 214 T HA 0.628 4.978 4.350 -0.001 0.000 0.283 214 T C -0.380 174.305 174.700 -0.025 0.000 0.988 214 T CA -0.307 61.779 62.100 -0.022 0.000 0.957 214 T CB 0.985 69.834 68.868 -0.032 0.000 0.930 214 T HN 0.171 nan 8.240 nan 0.000 0.443 215 I N 2.532 123.087 120.570 -0.026 0.000 2.436 215 I HA 0.365 4.534 4.170 -0.001 0.000 0.289 215 I C 0.168 176.265 176.117 -0.033 0.000 1.010 215 I CA -0.576 60.706 61.300 -0.030 0.000 1.098 215 I CB 1.938 39.922 38.000 -0.028 0.000 1.266 215 I HN 0.539 nan 8.210 nan 0.000 0.434 216 E N 4.754 124.932 120.200 -0.036 0.000 2.114 216 E HA 0.515 4.864 4.350 -0.001 0.000 0.266 216 E C 0.125 176.703 176.600 -0.038 0.000 0.896 216 E CA -0.633 55.745 56.400 -0.036 0.000 0.750 216 E CB 1.152 30.831 29.700 -0.035 0.000 1.121 216 E HN 0.847 nan 8.360 nan 0.000 0.413 217 G N 2.337 111.115 108.800 -0.037 0.000 2.647 217 G HA2 0.264 4.224 3.960 -0.001 0.000 0.234 217 G HA3 0.264 4.224 3.960 -0.001 0.000 0.234 217 G C 0.066 174.941 174.900 -0.042 0.000 1.252 217 G CA 0.158 45.234 45.100 -0.040 0.000 0.846 217 G HN 0.444 nan 8.290 nan 0.000 0.589 218 V N -1.273 118.613 119.914 -0.047 0.000 3.141 218 V HA 0.559 4.678 4.120 -0.001 0.000 0.312 218 V C 0.824 176.888 176.094 -0.050 0.000 1.157 218 V CA -0.759 61.513 62.300 -0.047 0.000 1.041 218 V CB 1.885 33.678 31.823 -0.051 0.000 1.071 218 V HN 0.780 nan 8.190 nan 0.000 0.441 219 E N 1.087 121.258 120.200 -0.048 0.000 2.072 219 E HA -0.033 4.316 4.350 -0.001 0.000 0.191 219 E C 0.439 177.002 176.600 -0.063 0.000 0.985 219 E CA 1.758 58.128 56.400 -0.051 0.000 0.801 219 E CB 0.122 29.796 29.700 -0.043 0.000 0.750 219 E HN 0.771 nan 8.360 nan 0.000 0.452 220 R N -0.807 119.657 120.500 -0.061 0.000 2.734 220 R HA 0.548 4.888 4.340 -0.001 0.000 0.271 220 R C -1.355 174.904 176.300 -0.068 0.000 1.021 220 R CA -0.758 55.301 56.100 -0.069 0.000 0.893 220 R CB 0.966 31.229 30.300 -0.062 0.000 1.244 220 R HN -0.151 nan 8.270 nan 0.000 0.464 221 L N 1.015 122.195 121.223 -0.073 0.000 2.334 221 L HA 0.593 4.933 4.340 -0.001 0.000 0.276 221 L C 0.632 177.462 176.870 -0.066 0.000 1.014 221 L CA -0.676 54.114 54.840 -0.084 0.000 0.815 221 L CB 2.055 44.050 42.059 -0.106 0.000 1.268 221 L HN 1.004 nan 8.230 nan 0.000 0.428 222 G N 1.244 110.003 108.800 -0.069 0.000 3.311 222 G HA2 0.608 4.568 3.960 -0.001 0.000 0.169 222 G HA3 0.608 4.568 3.960 -0.001 0.000 0.169 222 G C 0.051 174.929 174.900 -0.036 0.000 1.852 222 G CA 0.424 45.499 45.100 -0.042 0.000 1.010 222 G HN 0.762 nan 8.290 nan 0.000 0.530 223 G N -3.171 105.615 108.800 -0.024 0.000 2.911 223 G HA2 0.708 4.668 3.960 -0.001 0.000 0.299 223 G HA3 0.708 4.668 3.960 -0.001 0.000 0.299 223 G C -0.363 174.541 174.900 0.006 0.000 1.283 223 G CA 0.166 45.268 45.100 0.004 0.000 0.805 223 G HN 1.837 nan 8.290 nan 0.000 0.548 224 G N -2.587 106.248 108.800 0.058 0.000 2.350 224 G HA2 0.505 4.464 3.960 -0.001 0.000 0.276 224 G HA3 0.505 4.464 3.960 -0.001 0.000 0.276 224 G C -2.005 172.970 174.900 0.124 0.000 1.313 224 G CA 0.204 45.349 45.100 0.075 0.000 0.903 224 G HN 1.442 nan 8.290 nan 0.000 0.490 225 V N 0.491 120.485 119.914 0.132 0.000 2.531 225 V HA 0.713 4.833 4.120 -0.001 0.000 0.301 225 V C -1.296 174.918 176.094 0.200 0.000 1.034 225 V CA -0.566 61.812 62.300 0.130 0.000 0.865 225 V CB 1.522 33.387 31.823 0.070 0.000 0.995 225 V HN 0.929 nan 8.190 nan 0.000 0.424 226 Y N 4.252 124.593 120.300 0.068 0.000 2.457 226 Y HA 0.600 5.149 4.550 -0.001 0.000 0.343 226 Y C -0.185 175.699 175.900 -0.026 0.000 0.994 226 Y CA -0.828 57.318 58.100 0.076 0.000 1.031 226 Y CB 1.703 40.319 38.460 0.260 0.000 1.246 226 Y HN 0.614 nan 8.280 nan 0.000 0.449 227 R N 5.453 125.628 120.500 -0.541 0.000 2.255 227 R HA 0.567 4.907 4.340 -0.001 0.000 0.326 227 R C -1.359 174.733 176.300 -0.347 0.000 0.986 227 R CA -0.521 55.371 56.100 -0.347 0.000 0.847 227 R CB 0.797 30.927 30.300 -0.283 0.000 1.111 227 R HN 0.622 nan 8.270 nan 0.000 0.452 228 V N 6.366 126.214 119.914 -0.109 0.000 2.763 228 V HA -0.011 4.108 4.120 -0.001 0.000 0.306 228 V C 1.031 177.096 176.094 -0.049 0.000 1.059 228 V CA -0.090 62.201 62.300 -0.015 0.000 1.138 228 V CB 0.560 32.364 31.823 -0.032 0.000 0.940 228 V HN 0.689 nan 8.190 nan 0.000 0.489 229 L N 4.604 125.823 121.223 -0.007 0.000 2.472 229 L HA 0.547 4.887 4.340 -0.001 0.000 0.260 229 L C -2.400 174.457 176.870 -0.022 0.000 1.209 229 L CA -1.672 53.154 54.840 -0.022 0.000 0.817 229 L CB -0.042 42.016 42.059 -0.002 0.000 1.106 229 L HN 0.347 nan 8.230 nan 0.000 0.479 230 P HA -0.012 nan 4.420 nan 0.000 0.269 230 P C -1.139 176.157 177.300 -0.007 0.000 1.209 230 P CA 0.039 63.136 63.100 -0.006 0.000 0.776 230 P CB 0.340 32.042 31.700 0.004 0.000 0.876 231 D N 2.970 123.369 120.400 -0.002 0.000 2.359 231 D HA -0.012 4.628 4.640 -0.001 0.000 0.250 231 D C 1.317 177.617 176.300 0.001 0.000 1.264 231 D CA -0.055 53.936 54.000 -0.014 0.000 0.911 231 D CB 0.533 41.315 40.800 -0.029 0.000 1.056 231 D HN 0.347 nan 8.370 nan 0.000 0.499 232 R N 3.714 124.206 120.500 -0.013 0.000 2.148 232 R HA -0.106 4.234 4.340 -0.001 0.000 0.227 232 R C 1.385 177.687 176.300 0.004 0.000 1.103 232 R CA 0.529 56.627 56.100 -0.002 0.000 0.983 232 R CB -0.086 30.199 30.300 -0.026 0.000 0.874 232 R HN 0.341 nan 8.270 nan 0.000 0.451 233 I N 1.726 122.283 120.570 -0.022 0.000 2.406 233 I HA -0.112 4.058 4.170 -0.001 0.000 0.249 233 I C 2.485 178.610 176.117 0.013 0.000 1.122 233 I CA 1.125 62.413 61.300 -0.021 0.000 1.431 233 I CB -1.133 36.831 38.000 -0.062 0.000 1.087 233 I HN 0.355 nan 8.210 nan 0.000 0.424 234 E N 0.996 121.192 120.200 -0.005 0.000 2.077 234 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 234 E C 2.031 178.778 176.600 0.245 0.000 0.989 234 E CA 1.973 58.437 56.400 0.107 0.000 0.800 234 E CB 0.184 29.961 29.700 0.128 0.000 0.746 234 E HN 0.384 nan 8.360 nan 0.000 0.452 235 T N -0.104 114.568 114.554 0.197 0.000 2.652 235 T HA -0.165 4.185 4.350 -0.001 0.000 0.267 235 T C 1.776 176.592 174.700 0.194 0.000 1.039 235 T CA 1.397 63.627 62.100 0.216 0.000 1.153 235 T CB -0.793 68.152 68.868 0.129 0.000 0.863 235 T HN 0.415 nan 8.240 nan 0.000 0.428 236 G N 0.866 109.744 108.800 0.131 0.000 2.442 236 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.219 236 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.219 236 G C 1.705 176.677 174.900 0.120 0.000 1.141 236 G CA 1.485 46.666 45.100 0.135 0.000 0.763 236 G HN 0.469 nan 8.290 nan 0.000 0.554 237 T N 0.743 115.342 114.554 0.075 0.000 2.746 237 T HA -0.052 4.297 4.350 -0.001 0.000 0.267 237 T C 2.035 176.650 174.700 -0.141 0.000 1.039 237 T CA 0.981 63.052 62.100 -0.048 0.000 1.142 237 T CB -0.319 68.508 68.868 -0.068 0.000 0.866 237 T HN 0.298 nan 8.240 nan 0.000 0.444 238 F N 0.768 120.773 119.950 0.090 0.000 2.259 238 F HA 0.136 4.663 4.527 -0.000 0.000 0.298 238 F C 2.092 177.913 175.800 0.035 0.000 1.088 238 F CA 0.518 58.551 58.000 0.055 0.000 1.358 238 F CB -0.389 38.650 39.000 0.065 0.000 1.040 238 F HN 0.059 nan 8.300 nan 0.000 0.505 239 L N -0.824 120.523 121.223 0.205 0.000 2.083 239 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 239 L C 2.292 179.194 176.870 0.055 0.000 1.083 239 L CA 0.652 55.571 54.840 0.132 0.000 0.752 239 L CB -0.652 41.488 42.059 0.135 0.000 0.899 239 L HN -0.017 nan 8.230 nan 0.000 0.433 240 V N -0.112 119.806 119.914 0.006 0.000 2.548 240 V HA -0.229 3.891 4.120 -0.001 0.000 0.249 240 V C 2.717 178.766 176.094 -0.076 0.000 1.055 240 V CA 1.523 63.758 62.300 -0.109 0.000 1.065 240 V CB -0.590 31.122 31.823 -0.186 0.000 0.681 240 V HN 0.460 nan 8.190 nan 0.000 0.462 241 A N 0.165 122.969 122.820 -0.028 0.000 1.908 241 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 241 A C 2.412 180.003 177.584 0.011 0.000 1.181 241 A CA 2.363 54.397 52.037 -0.006 0.000 0.627 241 A CB -0.748 18.289 19.000 0.061 0.000 0.818 241 A HN 0.572 nan 8.150 nan 0.000 0.445 242 A N -0.391 122.449 122.820 0.034 0.000 1.872 242 A HA 0.250 4.569 4.320 -0.001 0.000 0.214 242 A C 2.520 180.096 177.584 -0.012 0.000 1.187 242 A CA 1.891 53.938 52.037 0.017 0.000 0.614 242 A CB -1.082 17.935 19.000 0.028 0.000 0.826 242 A HN 1.125 nan 8.150 nan 0.000 0.442 243 A N 0.595 123.400 122.820 -0.025 0.000 1.978 243 A HA -0.120 4.199 4.320 -0.001 0.000 0.220 243 A C 2.026 179.579 177.584 -0.051 0.000 1.170 243 A CA 1.628 53.639 52.037 -0.042 0.000 0.636 243 A CB -0.822 18.138 19.000 -0.067 0.000 0.810 243 A HN 1.022 nan 8.150 nan 0.000 0.448 244 I N -2.877 117.656 120.570 -0.062 0.000 3.728 244 I HA 0.106 4.276 4.170 -0.001 0.000 0.307 244 I C 1.371 177.467 176.117 -0.035 0.000 1.276 244 I CA 1.133 62.399 61.300 -0.057 0.000 1.285 244 I CB 0.206 38.161 38.000 -0.075 0.000 1.038 244 I HN 0.236 nan 8.210 nan 0.000 0.445 245 S N -0.077 115.608 115.700 -0.025 0.000 2.602 245 S HA 0.444 4.913 4.470 -0.001 0.000 0.240 245 S C 1.503 176.097 174.600 -0.010 0.000 0.992 245 S CA 0.142 58.332 58.200 -0.016 0.000 0.971 245 S CB 0.216 63.410 63.200 -0.011 0.000 0.855 245 S HN 0.715 nan 8.310 nan 0.000 0.481 246 G N 0.595 109.388 108.800 -0.011 0.000 2.180 246 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.263 246 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.263 246 G C 0.592 175.483 174.900 -0.014 0.000 0.989 246 G CA 0.188 45.284 45.100 -0.006 0.000 0.692 246 G HN 1.100 nan 8.290 nan 0.000 0.526 247 G N -0.936 107.854 108.800 -0.018 0.000 2.525 247 G HA2 0.586 4.545 3.960 -0.001 0.000 0.287 247 G HA3 0.586 4.545 3.960 -0.001 0.000 0.287 247 G C -0.159 174.715 174.900 -0.043 0.000 1.350 247 G CA 0.063 45.150 45.100 -0.022 0.000 1.039 247 G HN 0.565 nan 8.290 nan 0.000 0.513 248 K N -0.860 119.517 120.400 -0.038 0.000 2.443 248 K HA 0.633 4.953 4.320 -0.001 0.000 0.252 248 K C -1.638 174.950 176.600 -0.020 0.000 0.933 248 K CA -0.689 55.569 56.287 -0.049 0.000 0.792 248 K CB 2.024 34.484 32.500 -0.065 0.000 1.185 248 K HN 0.426 nan 8.250 nan 0.000 0.425 249 I N 2.926 123.495 120.570 -0.001 0.000 2.994 249 I HA 0.456 4.626 4.170 -0.001 0.000 0.306 249 I C -1.732 174.404 176.117 0.031 0.000 1.195 249 I CA -0.998 60.309 61.300 0.012 0.000 1.001 249 I CB 2.360 40.383 38.000 0.038 0.000 1.244 249 I HN 0.375 nan 8.210 nan 0.000 0.437 250 V N 5.159 125.082 119.914 0.015 0.000 2.483 250 V HA 0.348 4.468 4.120 -0.001 0.000 0.297 250 V C -0.732 175.389 176.094 0.045 0.000 1.027 250 V CA -0.576 61.752 62.300 0.047 0.000 0.855 250 V CB 1.432 33.233 31.823 -0.036 0.000 0.995 250 V HN 0.778 nan 8.190 nan 0.000 0.424 251 C N 6.175 125.543 119.300 0.114 0.000 2.285 251 C HA 0.616 5.076 4.460 -0.001 0.000 0.335 251 C C 0.560 175.629 174.990 0.132 0.000 1.267 251 C CA -1.043 58.027 59.018 0.087 0.000 1.762 251 C CB -0.016 27.794 27.740 0.116 0.000 2.365 251 C HN 0.736 nan 8.230 nan 0.000 0.527 252 R N 2.416 122.958 120.500 0.071 0.000 2.573 252 R HA 0.284 4.623 4.340 -0.001 0.000 0.272 252 R C 0.280 176.624 176.300 0.073 0.000 1.009 252 R CA -0.393 55.763 56.100 0.092 0.000 1.059 252 R CB 0.281 30.600 30.300 0.032 0.000 1.112 252 R HN 0.781 nan 8.270 nan 0.000 0.517 253 N N -1.295 117.454 118.700 0.082 0.000 2.754 253 N HA -0.189 4.551 4.740 -0.001 0.000 0.248 253 N C -1.078 174.459 175.510 0.046 0.000 1.093 253 N CA 1.169 54.249 53.050 0.050 0.000 0.699 253 N CB -0.953 37.549 38.487 0.025 0.000 1.016 253 N HN 0.748 nan 8.380 nan 0.000 0.552 254 A N -0.205 122.653 122.820 0.063 0.000 2.269 254 A HA 0.721 5.041 4.320 -0.001 0.000 0.327 254 A C 0.198 177.786 177.584 0.008 0.000 1.112 254 A CA -0.376 51.688 52.037 0.044 0.000 0.865 254 A CB 1.133 20.172 19.000 0.066 0.000 1.227 254 A HN 0.215 nan 8.150 nan 0.000 0.498 255 Q N 0.448 120.245 119.800 -0.004 0.000 2.891 255 Q HA 0.304 4.644 4.340 -0.001 0.000 0.242 255 Q C -2.283 173.701 176.000 -0.027 0.000 0.959 255 Q CA -1.756 54.033 55.803 -0.023 0.000 0.707 255 Q CB 1.262 29.990 28.738 -0.017 0.000 1.283 255 Q HN 0.436 nan 8.270 nan 0.000 0.480 256 P HA -0.247 nan 4.420 nan 0.000 0.217 256 P C 0.638 177.922 177.300 -0.027 0.000 1.158 256 P CA 1.829 64.894 63.100 -0.058 0.000 0.887 256 P CB 0.181 31.805 31.700 -0.127 0.000 0.792 257 D N -1.398 118.987 120.400 -0.024 0.000 2.384 257 D HA -0.123 4.517 4.640 -0.001 0.000 0.222 257 D C 1.173 177.501 176.300 0.047 0.000 0.976 257 D CA 1.537 55.539 54.000 0.004 0.000 0.915 257 D CB -1.551 39.250 40.800 0.001 0.000 0.896 257 D HN 0.257 nan 8.370 nan 0.000 0.523 258 T N -2.697 111.881 114.554 0.041 0.000 3.107 258 T HA 0.213 4.563 4.350 -0.001 0.000 0.249 258 T C 1.227 175.985 174.700 0.097 0.000 1.096 258 T CA -0.264 61.880 62.100 0.072 0.000 1.012 258 T CB -0.286 68.578 68.868 -0.006 0.000 0.977 258 T HN 0.202 nan 8.240 nan 0.000 0.527 259 L N 0.580 121.838 121.223 0.058 0.000 3.267 259 L HA 0.364 4.703 4.340 -0.001 0.000 0.289 259 L C 0.860 177.746 176.870 0.026 0.000 1.260 259 L CA -0.317 54.545 54.840 0.037 0.000 1.034 259 L CB 0.509 42.586 42.059 0.030 0.000 1.413 259 L HN -0.011 nan 8.230 nan 0.000 0.594 260 D N 1.623 122.036 120.400 0.022 0.000 2.126 260 D HA -0.244 4.396 4.640 -0.001 0.000 0.190 260 D C 2.147 178.453 176.300 0.011 0.000 1.001 260 D CA 1.853 55.857 54.000 0.007 0.000 0.841 260 D CB 0.193 40.986 40.800 -0.013 0.000 0.949 260 D HN 0.407 nan 8.370 nan 0.000 0.446 261 A N 0.724 123.540 122.820 -0.006 0.000 1.883 261 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 261 A C 2.635 180.249 177.584 0.051 0.000 1.186 261 A CA 1.624 53.672 52.037 0.018 0.000 0.624 261 A CB -0.860 18.143 19.000 0.005 0.000 0.822 261 A HN 0.161 nan 8.150 nan 0.000 0.444 262 V N 0.242 120.148 119.914 -0.014 0.000 2.295 262 V HA -0.263 3.857 4.120 -0.001 0.000 0.246 262 V C 2.576 178.767 176.094 0.163 0.000 1.049 262 V CA 1.992 64.309 62.300 0.029 0.000 1.024 262 V CB -0.789 31.027 31.823 -0.013 0.000 0.648 262 V HN 0.570 nan 8.190 nan 0.000 0.447 263 L N 0.004 121.293 121.223 0.111 0.000 2.083 263 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 263 L C 2.720 179.659 176.870 0.116 0.000 1.083 263 L CA 1.492 56.401 54.840 0.116 0.000 0.752 263 L CB -0.845 41.255 42.059 0.068 0.000 0.899 263 L HN 0.379 nan 8.230 nan 0.000 0.433 264 A N -0.070 122.806 122.820 0.093 0.000 1.898 264 A HA -0.214 4.106 4.320 -0.001 0.000 0.216 264 A C 2.294 179.944 177.584 0.110 0.000 1.181 264 A CA 1.638 53.724 52.037 0.081 0.000 0.620 264 A CB -0.304 18.729 19.000 0.055 0.000 0.819 264 A HN 0.148 nan 8.150 nan 0.000 0.442 265 K N -0.172 120.316 120.400 0.147 0.000 2.097 265 K HA 0.112 4.432 4.320 -0.001 0.000 0.205 265 K C 1.742 178.522 176.600 0.300 0.000 1.050 265 K CA 0.896 57.297 56.287 0.190 0.000 0.938 265 K CB -0.472 32.108 32.500 0.132 0.000 0.718 265 K HN 0.507 nan 8.250 nan 0.000 0.442 266 L N 0.001 121.423 121.223 0.332 0.000 2.093 266 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 266 L C 2.306 179.271 176.870 0.157 0.000 1.085 266 L CA 1.183 56.182 54.840 0.265 0.000 0.755 266 L CB -0.248 41.950 42.059 0.232 0.000 0.904 266 L HN 0.149 nan 8.230 nan 0.000 0.435 267 R N -0.019 120.561 120.500 0.134 0.000 2.092 267 R HA -0.162 4.178 4.340 -0.001 0.000 0.231 267 R C 2.075 178.430 176.300 0.091 0.000 1.119 267 R CA 1.191 57.350 56.100 0.098 0.000 0.970 267 R CB -0.231 30.118 30.300 0.082 0.000 0.864 267 R HN 0.429 nan 8.270 nan 0.000 0.440 268 E N 0.305 120.564 120.200 0.098 0.000 2.204 268 E HA -0.136 4.214 4.350 -0.001 0.000 0.195 268 E C 1.612 178.262 176.600 0.083 0.000 0.990 268 E CA 0.990 57.439 56.400 0.082 0.000 0.821 268 E CB 0.051 29.798 29.700 0.078 0.000 0.750 268 E HN 0.334 nan 8.360 nan 0.000 0.477 269 A N -0.334 122.549 122.820 0.104 0.000 2.208 269 A HA 0.220 4.539 4.320 -0.001 0.000 0.209 269 A C 1.643 179.265 177.584 0.063 0.000 1.161 269 A CA 0.931 53.018 52.037 0.083 0.000 0.782 269 A CB 0.035 19.089 19.000 0.090 0.000 0.816 269 A HN 0.342 nan 8.150 nan 0.000 0.477 270 G N -2.389 106.452 108.800 0.070 0.000 2.168 270 G HA2 0.178 4.137 3.960 -0.001 0.000 0.197 270 G HA3 0.178 4.137 3.960 -0.001 0.000 0.197 270 G C 0.346 175.292 174.900 0.076 0.000 0.997 270 G CA 0.065 45.206 45.100 0.068 0.000 0.658 270 G HN 1.445 nan 8.290 nan 0.000 0.513 271 A N 0.182 123.045 122.820 0.072 0.000 2.371 271 A HA 0.562 4.881 4.320 -0.001 0.000 0.257 271 A C 0.127 177.758 177.584 0.078 0.000 1.089 271 A CA 0.616 52.690 52.037 0.061 0.000 0.794 271 A CB 0.560 19.594 19.000 0.056 0.000 1.029 271 A HN 0.552 nan 8.150 nan 0.000 0.488 272 D N 1.986 122.426 120.400 0.068 0.000 2.428 272 D HA 0.455 5.095 4.640 -0.001 0.000 0.221 272 D C -0.609 175.738 176.300 0.078 0.000 1.123 272 D CA 0.049 54.113 54.000 0.106 0.000 0.869 272 D CB -0.038 40.883 40.800 0.202 0.000 1.032 272 D HN 0.348 nan 8.370 nan 0.000 0.506 273 I N 2.778 123.400 120.570 0.087 0.000 2.441 273 I HA 0.379 4.548 4.170 -0.001 0.000 0.295 273 I C 0.299 176.473 176.117 0.094 0.000 0.994 273 I CA -0.753 60.600 61.300 0.089 0.000 1.144 273 I CB 1.744 39.791 38.000 0.078 0.000 1.314 273 I HN 0.244 nan 8.210 nan 0.000 0.445 274 E N 3.559 123.837 120.200 0.129 0.000 2.293 274 E HA 0.489 4.839 4.350 -0.001 0.000 0.270 274 E C -1.117 175.492 176.600 0.015 0.000 0.879 274 E CA -0.676 55.801 56.400 0.128 0.000 0.756 274 E CB 2.816 32.670 29.700 0.258 0.000 1.208 274 E HN 0.684 nan 8.360 nan 0.000 0.428 275 T N -0.908 113.486 114.554 -0.266 0.000 2.924 275 T HA 0.827 5.176 4.350 -0.001 0.000 0.291 275 T C 0.208 174.189 174.700 -1.199 0.000 1.045 275 T CA -0.707 60.969 62.100 -0.706 0.000 1.015 275 T CB 1.991 70.634 68.868 -0.375 0.000 1.103 275 T HN 0.482 nan 8.240 nan 0.000 0.496 276 G N -0.019 107.697 108.800 -1.806 0.000 3.251 276 G HA2 0.488 4.448 3.960 -0.001 0.000 0.248 276 G HA3 0.488 4.448 3.960 -0.001 0.000 0.248 276 G C 0.258 174.733 174.900 -0.708 0.000 1.320 276 G CA -0.482 43.779 45.100 -1.399 0.000 0.982 276 G HN 0.700 nan 8.290 nan 0.000 0.575 277 E N -0.316 119.677 120.200 -0.345 0.000 2.072 277 E HA -0.082 4.268 4.350 -0.001 0.000 0.191 277 E C 0.886 177.402 176.600 -0.139 0.000 0.985 277 E CA 2.031 58.338 56.400 -0.155 0.000 0.801 277 E CB 0.153 29.839 29.700 -0.025 0.000 0.750 277 E HN 0.469 nan 8.360 nan 0.000 0.452 278 D N -1.163 119.177 120.400 -0.099 0.000 2.760 278 D HA 0.073 4.713 4.640 -0.001 0.000 0.314 278 D C -0.508 175.859 176.300 0.111 0.000 1.464 278 D CA -0.570 53.432 54.000 0.003 0.000 0.797 278 D CB -0.892 39.952 40.800 0.072 0.000 1.149 278 D HN 0.306 nan 8.370 nan 0.000 0.455 279 W N -0.126 121.178 121.300 0.006 0.000 3.137 279 W HA 0.670 5.329 4.660 -0.001 0.000 0.324 279 W C -2.123 174.405 176.519 0.015 0.000 1.253 279 W CA -1.275 56.074 57.345 0.007 0.000 1.183 279 W CB 0.472 29.933 29.460 0.001 0.000 1.424 279 W HN -0.288 nan 8.180 nan 0.000 0.566 280 I N 2.972 123.754 120.570 0.353 0.000 2.619 280 I HA 0.354 4.524 4.170 -0.001 0.000 0.292 280 I C -0.218 176.135 176.117 0.393 0.000 1.100 280 I CA -0.754 60.686 61.300 0.233 0.000 1.043 280 I CB 2.595 40.654 38.000 0.098 0.000 1.239 280 I HN 0.456 nan 8.210 nan 0.000 0.420 281 S N 6.825 122.762 115.700 0.395 0.000 2.500 281 S HA 0.825 5.295 4.470 -0.001 0.000 0.301 281 S C -1.064 173.632 174.600 0.159 0.000 1.092 281 S CA -0.735 57.627 58.200 0.269 0.000 1.030 281 S CB 2.240 65.612 63.200 0.285 0.000 1.031 281 S HN 0.645 nan 8.310 nan 0.000 0.483 282 L N 2.319 123.597 121.223 0.091 0.000 2.410 282 L HA 0.671 5.011 4.340 -0.001 0.000 0.270 282 L C -1.895 174.960 176.870 -0.026 0.000 0.983 282 L CA -0.303 54.563 54.840 0.045 0.000 0.822 282 L CB 1.850 43.943 42.059 0.056 0.000 1.285 282 L HN 0.834 nan 8.230 nan 0.000 0.409 283 D N 4.925 125.262 120.400 -0.105 0.000 2.593 283 D HA 0.281 4.920 4.640 -0.001 0.000 0.251 283 D C 0.253 176.340 176.300 -0.356 0.000 1.140 283 D CA -0.429 53.398 54.000 -0.288 0.000 0.855 283 D CB 1.918 42.426 40.800 -0.487 0.000 1.267 283 D HN 0.492 nan 8.370 nan 0.000 0.532 284 M N 1.621 121.081 119.600 -0.233 0.000 2.509 284 M HA 0.022 4.502 4.480 -0.001 0.000 0.250 284 M C 0.137 176.417 176.300 -0.032 0.000 1.132 284 M CA 0.291 55.530 55.300 -0.102 0.000 1.080 284 M CB -0.659 31.920 32.600 -0.035 0.000 1.408 284 M HN 0.491 nan 8.290 nan 0.000 0.484 285 H N 0.036 119.118 119.070 0.020 0.000 2.770 285 H HA -0.156 4.400 4.556 -0.001 0.000 0.309 285 H C 1.323 176.659 175.328 0.013 0.000 1.206 285 H CA 0.919 56.977 56.048 0.017 0.000 1.147 285 H CB -2.234 27.539 29.762 0.018 0.000 1.422 285 H HN 0.634 nan 8.280 nan 0.000 0.420 286 G N -0.361 108.481 108.800 0.069 0.000 2.175 286 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.265 286 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.265 286 G C 0.478 175.405 174.900 0.046 0.000 0.979 286 G CA 0.989 46.118 45.100 0.048 0.000 0.663 286 G HN 0.548 nan 8.290 nan 0.000 0.533 287 K N 0.109 120.544 120.400 0.059 0.000 2.237 287 K HA 0.408 4.728 4.320 -0.001 0.000 0.270 287 K C 0.873 177.490 176.600 0.028 0.000 1.015 287 K CA -0.610 55.707 56.287 0.049 0.000 0.949 287 K CB 0.759 33.299 32.500 0.068 0.000 0.976 287 K HN 0.326 nan 8.250 nan 0.000 0.472 288 R N 3.574 124.088 120.500 0.023 0.000 2.441 288 R HA 0.185 4.525 4.340 -0.001 0.000 0.284 288 R C -2.196 174.113 176.300 0.015 0.000 1.070 288 R CA -1.460 54.648 56.100 0.013 0.000 1.047 288 R CB 0.535 30.843 30.300 0.013 0.000 1.016 288 R HN 0.394 nan 8.270 nan 0.000 0.477 289 P HA 0.079 nan 4.420 nan 0.000 0.272 289 P C -1.268 176.041 177.300 0.016 0.000 1.223 289 P CA -0.143 62.962 63.100 0.007 0.000 0.784 289 P CB 0.771 32.461 31.700 -0.017 0.000 0.923 290 K N 1.142 121.558 120.400 0.027 0.000 2.172 290 K HA 0.472 4.791 4.320 -0.001 0.000 0.276 290 K C 0.289 176.909 176.600 0.034 0.000 1.013 290 K CA -0.614 55.692 56.287 0.031 0.000 0.913 290 K CB 1.276 33.799 32.500 0.037 0.000 1.055 290 K HN 0.554 nan 8.250 nan 0.000 0.461 291 A N 2.258 125.096 122.820 0.029 0.000 2.531 291 A HA 0.262 4.582 4.320 -0.001 0.000 0.236 291 A C 0.352 177.957 177.584 0.035 0.000 1.062 291 A CA -0.223 51.831 52.037 0.027 0.000 0.760 291 A CB -0.067 18.943 19.000 0.017 0.000 0.995 291 A HN 0.551 nan 8.150 nan 0.000 0.501 292 V N -0.374 119.567 119.914 0.044 0.000 3.102 292 V HA 0.863 4.983 4.120 -0.001 0.000 0.312 292 V C -0.125 175.967 176.094 -0.002 0.000 1.135 292 V CA -0.601 61.724 62.300 0.041 0.000 1.022 292 V CB 1.775 33.656 31.823 0.097 0.000 1.056 292 V HN 0.775 nan 8.190 nan 0.000 0.436 293 T N 2.144 116.679 114.554 -0.033 0.000 2.771 293 T HA 0.727 5.077 4.350 -0.001 0.000 0.281 293 T C -0.511 174.103 174.700 -0.144 0.000 0.982 293 T CA -0.260 61.798 62.100 -0.070 0.000 0.978 293 T CB 1.281 70.120 68.868 -0.049 0.000 0.930 293 T HN 0.747 nan 8.240 nan 0.000 0.447 294 V N 3.652 123.440 119.914 -0.211 0.000 2.823 294 V HA 0.667 4.786 4.120 -0.001 0.000 0.312 294 V C -0.196 175.743 176.094 -0.259 0.000 1.072 294 V CA -1.045 61.019 62.300 -0.394 0.000 0.937 294 V CB 2.285 33.630 31.823 -0.797 0.000 1.013 294 V HN 0.741 nan 8.190 nan 0.000 0.430 295 R N 1.942 122.303 120.500 -0.231 0.000 2.575 295 R HA 0.440 4.780 4.340 -0.001 0.000 0.292 295 R C -0.168 176.127 176.300 -0.009 0.000 1.246 295 R CA -0.283 55.767 56.100 -0.083 0.000 0.973 295 R CB 1.457 31.730 30.300 -0.046 0.000 1.187 295 R HN 0.971 nan 8.270 nan 0.000 0.478 296 T N 0.883 115.473 114.554 0.060 0.000 2.926 296 T HA 0.651 5.000 4.350 -0.001 0.000 0.307 296 T C 0.224 174.978 174.700 0.090 0.000 1.059 296 T CA -0.033 62.176 62.100 0.181 0.000 1.122 296 T CB 1.563 70.550 68.868 0.198 0.000 0.972 296 T HN 0.655 nan 8.240 nan 0.000 0.545 297 A N 2.876 125.749 122.820 0.088 0.000 2.544 297 A HA 0.715 5.035 4.320 -0.001 0.000 0.291 297 A C -3.145 174.458 177.584 0.031 0.000 1.055 297 A CA -1.675 50.380 52.037 0.031 0.000 0.651 297 A CB 0.138 19.150 19.000 0.020 0.000 1.296 297 A HN 0.654 nan 8.150 nan 0.000 0.431 298 P HA 0.239 nan 4.420 nan 0.000 0.268 298 P C -0.324 177.011 177.300 0.058 0.000 1.208 298 P CA 0.382 63.503 63.100 0.034 0.000 0.777 298 P CB 0.152 31.862 31.700 0.016 0.000 0.875 299 H N 3.877 122.943 119.070 -0.008 0.000 2.948 299 H HA 0.012 4.568 4.556 -0.000 0.000 0.351 299 H C -1.217 174.107 175.328 -0.007 0.000 1.079 299 H CA -0.667 55.374 56.048 -0.011 0.000 1.407 299 H CB 0.218 29.974 29.762 -0.011 0.000 1.373 299 H HN 0.319 nan 8.280 nan 0.000 0.605 300 P HA 0.125 nan 4.420 nan 0.000 0.255 300 P C -0.376 176.697 177.300 -0.377 0.000 1.301 300 P CA 0.201 62.686 63.100 -1.025 0.000 0.817 300 P CB -0.085 31.178 31.700 -0.729 0.000 1.259 301 A N 0.479 123.202 122.820 -0.162 0.000 2.262 301 A HA 0.241 4.561 4.320 -0.001 0.000 0.273 301 A C -0.203 177.393 177.584 0.021 0.000 1.202 301 A CA -0.543 51.472 52.037 -0.037 0.000 0.811 301 A CB -0.565 18.439 19.000 0.006 0.000 1.159 301 A HN 0.175 nan 8.150 nan 0.000 0.505 302 F N 1.782 121.688 119.950 -0.073 0.000 2.571 302 F HA 0.277 4.804 4.527 -0.000 0.000 0.384 302 F C -1.649 174.128 175.800 -0.037 0.000 1.058 302 F CA -1.497 56.450 58.000 -0.088 0.000 1.200 302 F CB 0.588 39.500 39.000 -0.147 0.000 1.077 302 F HN 0.255 nan 8.300 nan 0.000 0.558 303 P HA -0.015 nan 4.420 nan 0.000 0.276 303 P C 0.293 177.559 177.300 -0.058 0.000 1.235 303 P CA -0.080 62.914 63.100 -0.177 0.000 0.772 303 P CB 1.558 33.133 31.700 -0.209 0.000 0.871 304 T N 2.175 116.799 114.554 0.116 0.000 2.881 304 T HA -0.139 4.210 4.350 -0.001 0.000 0.270 304 T C 1.711 176.517 174.700 0.176 0.000 1.068 304 T CA 1.622 63.850 62.100 0.214 0.000 1.131 304 T CB -0.581 68.441 68.868 0.256 0.000 0.871 304 T HN 0.442 nan 8.240 nan 0.000 0.479 305 A N 0.556 123.434 122.820 0.097 0.000 2.216 305 A HA 0.177 4.496 4.320 -0.001 0.000 0.214 305 A C 2.029 179.643 177.584 0.050 0.000 1.160 305 A CA 0.871 52.944 52.037 0.059 0.000 0.725 305 A CB -0.321 18.694 19.000 0.026 0.000 0.784 305 A HN 0.517 nan 8.150 nan 0.000 0.472 306 M N -1.146 118.477 119.600 0.037 0.000 2.313 306 M HA 0.086 4.565 4.480 -0.001 0.000 0.273 306 M C 1.785 178.328 176.300 0.404 0.000 1.049 306 M CA 0.301 55.667 55.300 0.111 0.000 1.004 306 M CB 0.008 32.507 32.600 -0.168 0.000 1.461 306 M HN 0.602 nan 8.290 nan 0.000 0.514 307 Q N 1.123 121.173 119.800 0.417 0.000 2.050 307 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 307 Q C 1.754 177.935 176.000 0.302 0.000 0.980 307 Q CA 2.190 58.273 55.803 0.467 0.000 0.840 307 Q CB 0.056 29.028 28.738 0.390 0.000 0.898 307 Q HN 0.459 nan 8.270 nan 0.000 0.424 308 A N 0.663 123.520 122.820 0.061 0.000 1.883 308 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 308 A C 2.017 179.537 177.584 -0.106 0.000 1.186 308 A CA 1.881 53.691 52.037 -0.377 0.000 0.624 308 A CB -0.599 17.997 19.000 -0.672 0.000 0.822 308 A HN 0.494 nan 8.150 nan 0.000 0.444 309 Q N -1.220 118.601 119.800 0.036 0.000 2.096 309 Q HA -0.100 4.239 4.340 -0.001 0.000 0.204 309 Q C 1.635 177.677 176.000 0.070 0.000 0.982 309 Q CA 1.716 57.546 55.803 0.045 0.000 0.850 309 Q CB -0.465 28.321 28.738 0.080 0.000 0.901 309 Q HN 0.691 nan 8.270 nan 0.000 0.422 310 F N -0.079 119.947 119.950 0.126 0.000 2.407 310 F HA -0.073 4.453 4.527 -0.001 0.000 0.299 310 F C 2.078 177.916 175.800 0.063 0.000 1.097 310 F CA 1.015 59.087 58.000 0.121 0.000 1.422 310 F CB -0.199 38.912 39.000 0.184 0.000 1.067 310 F HN 0.017 nan 8.300 nan 0.000 0.539 311 T N 0.457 115.148 114.554 0.229 0.000 2.777 311 T HA -0.180 4.170 4.350 -0.001 0.000 0.266 311 T C 2.033 176.784 174.700 0.084 0.000 1.040 311 T CA 1.243 63.443 62.100 0.168 0.000 1.141 311 T CB -0.500 68.565 68.868 0.329 0.000 0.868 311 T HN 0.147 nan 8.240 nan 0.000 0.444 312 L N 1.434 122.696 121.223 0.064 0.000 1.989 312 L HA 0.018 4.358 4.340 -0.001 0.000 0.211 312 L C 2.245 179.094 176.870 -0.036 0.000 1.071 312 L CA 1.585 56.429 54.840 0.007 0.000 0.749 312 L CB -0.968 41.078 42.059 -0.022 0.000 0.890 312 L HN 0.263 nan 8.230 nan 0.000 0.431 313 L N -0.357 120.815 121.223 -0.085 0.000 2.013 313 L HA -0.298 4.041 4.340 -0.001 0.000 0.212 313 L C 2.264 179.100 176.870 -0.056 0.000 1.073 313 L CA 1.963 56.728 54.840 -0.125 0.000 0.753 313 L CB -0.557 41.326 42.059 -0.294 0.000 0.890 313 L HN 0.425 nan 8.230 nan 0.000 0.432 314 N N -0.078 118.612 118.700 -0.018 0.000 2.188 314 N HA -0.144 4.595 4.740 -0.001 0.000 0.184 314 N C 1.815 177.315 175.510 -0.017 0.000 1.018 314 N CA 1.353 54.399 53.050 -0.006 0.000 0.858 314 N CB -0.367 38.120 38.487 0.000 0.000 0.989 314 N HN 0.372 nan 8.380 nan 0.000 0.426 315 L N 0.461 121.670 121.223 -0.022 0.000 2.353 315 L HA -0.053 4.287 4.340 -0.001 0.000 0.220 315 L C 1.305 178.160 176.870 -0.025 0.000 1.133 315 L CA 0.599 55.422 54.840 -0.028 0.000 0.798 315 L CB -0.071 41.967 42.059 -0.035 0.000 0.922 315 L HN 0.090 nan 8.230 nan 0.000 0.445 316 V N -4.886 115.014 119.914 -0.024 0.000 3.159 316 V HA 0.555 4.675 4.120 -0.001 0.000 0.333 316 V C 0.599 176.686 176.094 -0.010 0.000 1.424 316 V CA -0.260 62.027 62.300 -0.021 0.000 1.125 316 V CB -0.180 31.625 31.823 -0.030 0.000 1.075 316 V HN 0.092 nan 8.190 nan 0.000 0.482 317 A N 0.584 123.401 122.820 -0.004 0.000 2.248 317 A HA 0.795 5.115 4.320 -0.001 0.000 0.316 317 A C -0.112 177.484 177.584 0.019 0.000 1.101 317 A CA -0.554 51.486 52.037 0.004 0.000 0.875 317 A CB 1.127 20.129 19.000 0.003 0.000 1.207 317 A HN 0.459 nan 8.150 nan 0.000 0.504 318 E N -0.209 120.005 120.200 0.022 0.000 2.105 318 E HA 0.484 4.834 4.350 -0.001 0.000 0.285 318 E C 0.400 177.019 176.600 0.032 0.000 1.055 318 E CA 1.275 57.692 56.400 0.029 0.000 0.843 318 E CB -0.077 29.638 29.700 0.026 0.000 1.067 318 E HN 1.613 nan 8.360 nan 0.000 0.398 319 G N 2.727 111.552 108.800 0.043 0.000 2.422 319 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.607 319 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.607 319 G C -0.712 174.222 174.900 0.057 0.000 1.270 319 G CA -0.496 44.633 45.100 0.048 0.000 0.992 319 G HN 0.480 nan 8.290 nan 0.000 0.499 320 T N 1.279 115.863 114.554 0.051 0.000 2.753 320 T HA 0.624 4.974 4.350 -0.001 0.000 0.297 320 T C 0.687 175.372 174.700 -0.025 0.000 0.981 320 T CA 0.553 62.669 62.100 0.026 0.000 0.956 320 T CB 1.045 69.957 68.868 0.074 0.000 0.936 320 T HN 1.382 nan 8.240 nan 0.000 0.463 321 G N 1.894 110.657 108.800 -0.062 0.000 2.371 321 G HA2 0.588 4.548 3.960 -0.001 0.000 0.326 321 G HA3 0.588 4.548 3.960 -0.001 0.000 0.326 321 G C -0.889 173.956 174.900 -0.092 0.000 1.127 321 G CA -0.454 44.613 45.100 -0.054 0.000 0.885 321 G HN 0.619 nan 8.290 nan 0.000 0.477 322 V N 3.092 122.963 119.914 -0.072 0.000 2.444 322 V HA 0.441 4.561 4.120 -0.001 0.000 0.294 322 V C -0.228 175.824 176.094 -0.071 0.000 1.022 322 V CA -0.538 61.714 62.300 -0.080 0.000 0.850 322 V CB 1.402 33.190 31.823 -0.058 0.000 0.992 322 V HN 0.619 nan 8.190 nan 0.000 0.426 323 I N 3.913 124.443 120.570 -0.066 0.000 2.406 323 I HA 0.501 4.671 4.170 -0.001 0.000 0.290 323 I C -0.057 176.105 176.117 0.075 0.000 0.999 323 I CA -0.267 61.017 61.300 -0.027 0.000 1.124 323 I CB 2.216 40.218 38.000 0.004 0.000 1.289 323 I HN 0.647 nan 8.210 nan 0.000 0.441 324 T N 3.866 118.463 114.554 0.072 0.000 2.815 324 T HA 0.351 4.701 4.350 -0.001 0.000 0.289 324 T C -0.659 174.114 174.700 0.122 0.000 1.000 324 T CA -0.590 61.592 62.100 0.137 0.000 0.958 324 T CB 1.192 70.097 68.868 0.063 0.000 0.944 324 T HN 0.535 nan 8.240 nan 0.000 0.442 325 E N 2.980 123.274 120.200 0.156 0.000 2.167 325 E HA 0.388 4.738 4.350 -0.001 0.000 0.284 325 E C 0.954 177.543 176.600 -0.019 0.000 1.016 325 E CA -0.338 56.088 56.400 0.045 0.000 0.817 325 E CB 1.094 30.727 29.700 -0.111 0.000 1.080 325 E HN 0.767 nan 8.360 nan 0.000 0.397 326 T N 2.064 116.608 114.554 -0.017 0.000 3.040 326 T HA 0.197 4.547 4.350 -0.001 0.000 0.266 326 T C 1.076 175.708 174.700 -0.112 0.000 1.005 326 T CA -0.195 61.874 62.100 -0.052 0.000 0.906 326 T CB -0.001 68.845 68.868 -0.035 0.000 1.082 326 T HN 0.398 nan 8.240 nan 0.000 0.531 327 I N -0.176 120.303 120.570 -0.151 0.000 2.729 327 I HA 0.411 4.581 4.170 -0.001 0.000 0.256 327 I C 0.081 175.838 176.117 -0.599 0.000 1.115 327 I CA -0.018 61.052 61.300 -0.383 0.000 1.446 327 I CB -0.567 37.174 38.000 -0.431 0.000 1.176 327 I HN 0.204 nan 8.210 nan 0.000 0.446 328 F N 2.244 122.155 119.950 -0.064 0.000 2.507 328 F HA 0.246 4.773 4.527 -0.001 0.000 0.325 328 F C 1.627 177.347 175.800 -0.132 0.000 1.116 328 F CA -0.790 57.161 58.000 -0.082 0.000 0.930 328 F CB 1.323 40.281 39.000 -0.070 0.000 1.146 328 F HN -0.006 nan 8.300 nan 0.000 0.447 329 E N 0.817 121.059 120.200 0.069 0.000 2.204 329 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 329 E C 0.063 176.622 176.600 -0.067 0.000 0.989 329 E CA 1.242 57.628 56.400 -0.022 0.000 0.824 329 E CB -0.165 29.532 29.700 -0.004 0.000 0.756 329 E HN 0.572 nan 8.360 nan 0.000 0.477 330 N N 0.200 118.878 118.700 -0.037 0.000 2.696 330 N HA 0.133 4.872 4.740 -0.001 0.000 0.308 330 N C -0.686 174.780 175.510 -0.073 0.000 1.915 330 N CA -0.276 52.736 53.050 -0.064 0.000 0.906 330 N CB 0.444 38.918 38.487 -0.022 0.000 1.284 330 N HN -0.043 nan 8.380 nan 0.000 0.488 331 R N 0.741 121.142 120.500 -0.165 0.000 2.935 331 R HA 0.317 4.656 4.340 -0.001 0.000 0.354 331 R C -0.524 175.860 176.300 0.140 0.000 1.206 331 R CA -0.002 56.072 56.100 -0.044 0.000 1.082 331 R CB -0.172 30.127 30.300 -0.000 0.000 1.431 331 R HN 0.344 nan 8.270 nan 0.000 0.582 332 F N -0.364 119.628 119.950 0.069 0.000 2.735 332 F HA 0.158 4.685 4.527 -0.001 0.000 0.308 332 F C 1.292 176.957 175.800 -0.224 0.000 1.112 332 F CA -0.493 57.437 58.000 -0.117 0.000 1.235 332 F CB 0.685 39.623 39.000 -0.104 0.000 1.027 332 F HN 0.082 nan 8.300 nan 0.000 0.528 333 M N 0.211 119.890 119.600 0.131 0.000 2.358 333 M HA -0.192 4.288 4.480 -0.001 0.000 0.264 333 M C 2.370 178.688 176.300 0.031 0.000 1.064 333 M CA 1.349 56.684 55.300 0.059 0.000 1.093 333 M CB -0.562 32.068 32.600 0.049 0.000 1.401 333 M HN 0.312 nan 8.290 nan 0.000 0.440 334 H N -1.203 117.892 119.070 0.042 0.000 2.470 334 H HA 0.054 4.610 4.556 -0.000 0.000 0.289 334 H C 2.067 177.398 175.328 0.004 0.000 1.033 334 H CA 0.985 57.039 56.048 0.009 0.000 1.331 334 H CB -1.214 28.556 29.762 0.012 0.000 1.414 334 H HN 0.217 nan 8.280 nan 0.000 0.545 335 V N 2.547 122.183 119.914 -0.463 0.000 2.252 335 V HA -0.199 3.921 4.120 -0.001 0.000 0.249 335 V C -0.252 175.766 176.094 -0.127 0.000 1.056 335 V CA 2.470 64.590 62.300 -0.300 0.000 1.022 335 V CB -1.422 30.181 31.823 -0.367 0.000 0.641 335 V HN 0.409 nan 8.190 nan 0.000 0.445 336 P HA -0.116 nan 4.420 nan 0.000 0.218 336 P C 1.541 178.825 177.300 -0.026 0.000 1.148 336 P CA 1.141 64.216 63.100 -0.042 0.000 0.822 336 P CB -0.010 31.675 31.700 -0.024 0.000 0.784 337 E N -0.487 119.701 120.200 -0.020 0.000 2.072 337 E HA -0.048 4.301 4.350 -0.001 0.000 0.190 337 E C 2.108 178.703 176.600 -0.009 0.000 0.982 337 E CA 0.895 57.292 56.400 -0.006 0.000 0.803 337 E CB -0.905 28.800 29.700 0.008 0.000 0.755 337 E HN 0.317 nan 8.360 nan 0.000 0.453 338 L N 0.584 121.800 121.223 -0.011 0.000 2.141 338 L HA -0.091 4.249 4.340 -0.001 0.000 0.209 338 L C 2.465 179.310 176.870 -0.042 0.000 1.094 338 L CA 0.607 55.435 54.840 -0.019 0.000 0.763 338 L CB -0.326 41.728 42.059 -0.008 0.000 0.908 338 L HN 0.071 nan 8.230 nan 0.000 0.437 339 I N -0.506 120.040 120.570 -0.041 0.000 2.361 339 I HA -0.270 3.899 4.170 -0.001 0.000 0.251 339 I C 2.625 178.723 176.117 -0.030 0.000 1.133 339 I CA 1.088 62.364 61.300 -0.039 0.000 1.413 339 I CB -0.238 37.752 38.000 -0.017 0.000 1.073 339 I HN 0.203 nan 8.210 nan 0.000 0.424 340 R N 0.240 120.728 120.500 -0.021 0.000 2.152 340 R HA -0.069 4.271 4.340 -0.001 0.000 0.232 340 R C 1.858 178.146 176.300 -0.021 0.000 1.117 340 R CA 1.122 57.214 56.100 -0.013 0.000 0.981 340 R CB -0.126 30.170 30.300 -0.007 0.000 0.870 340 R HN 0.351 nan 8.270 nan 0.000 0.451 341 M N -0.716 118.865 119.600 -0.032 0.000 2.568 341 M HA 0.141 4.620 4.480 -0.001 0.000 0.226 341 M C 0.675 176.936 176.300 -0.064 0.000 1.148 341 M CA 0.467 55.744 55.300 -0.037 0.000 1.007 341 M CB 1.165 33.745 32.600 -0.032 0.000 1.651 341 M HN 0.431 nan 8.290 nan 0.000 0.488 342 G N 0.230 108.979 108.800 -0.086 0.000 2.176 342 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.232 342 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.232 342 G C 0.240 174.935 174.900 -0.342 0.000 0.986 342 G CA -0.052 44.956 45.100 -0.155 0.000 0.643 342 G HN 0.654 nan 8.290 nan 0.000 0.522 343 A N 0.302 122.971 122.820 -0.251 0.000 2.366 343 A HA 0.640 4.959 4.320 -0.001 0.000 0.250 343 A C 0.159 177.532 177.584 -0.351 0.000 1.099 343 A CA 0.101 51.962 52.037 -0.292 0.000 0.794 343 A CB 0.259 19.182 19.000 -0.128 0.000 1.056 343 A HN 0.574 nan 8.150 nan 0.000 0.499 344 H N -0.490 118.597 119.070 0.027 0.000 2.658 344 H HA 0.711 5.267 4.556 -0.000 0.000 0.337 344 H C -0.226 175.143 175.328 0.069 0.000 1.009 344 H CA 0.258 56.345 56.048 0.064 0.000 1.231 344 H CB 1.417 31.242 29.762 0.106 0.000 1.508 344 H HN 1.002 nan 8.280 nan 0.000 0.517 345 A N 2.561 125.477 122.820 0.160 0.000 2.597 345 A HA 0.590 4.910 4.320 -0.001 0.000 0.292 345 A C -1.359 176.229 177.584 0.007 0.000 1.057 345 A CA -0.840 51.207 52.037 0.017 0.000 0.674 345 A CB 1.729 20.668 19.000 -0.103 0.000 1.278 345 A HN 0.535 nan 8.150 nan 0.000 0.416 346 E N 0.147 120.319 120.200 -0.047 0.000 2.293 346 E HA 0.667 5.017 4.350 -0.001 0.000 0.270 346 E C -1.206 175.337 176.600 -0.095 0.000 0.879 346 E CA -0.277 56.103 56.400 -0.032 0.000 0.756 346 E CB 2.202 31.916 29.700 0.024 0.000 1.208 346 E HN 0.526 nan 8.360 nan 0.000 0.428 347 I N 2.333 122.861 120.570 -0.070 0.000 2.339 347 I HA 0.281 4.451 4.170 -0.001 0.000 0.290 347 I C -0.412 175.714 176.117 0.014 0.000 0.994 347 I CA -0.640 60.623 61.300 -0.061 0.000 1.191 347 I CB 1.106 39.099 38.000 -0.011 0.000 1.343 347 I HN 0.241 nan 8.210 nan 0.000 0.458 348 E N 5.339 125.559 120.200 0.034 0.000 2.207 348 E HA 0.324 4.673 4.350 -0.001 0.000 0.250 348 E C 0.061 176.712 176.600 0.084 0.000 0.890 348 E CA -0.105 56.323 56.400 0.047 0.000 0.749 348 E CB 1.625 31.342 29.700 0.027 0.000 1.193 348 E HN 0.738 nan 8.360 nan 0.000 0.423 349 S N 3.790 119.542 115.700 0.086 0.000 4.114 349 S HA -0.289 4.181 4.470 -0.001 0.000 0.618 349 S C 0.665 175.353 174.600 0.147 0.000 1.937 349 S CA 1.771 60.022 58.200 0.085 0.000 4.228 349 S CB -1.040 62.194 63.200 0.056 0.000 0.216 349 S HN 0.736 nan 8.310 nan 0.000 0.528 350 N N 2.243 121.019 118.700 0.126 0.000 2.376 350 N HA 0.232 4.972 4.740 -0.001 0.000 0.249 350 N C -0.135 175.574 175.510 0.332 0.000 1.140 350 N CA 0.844 53.980 53.050 0.144 0.000 0.870 350 N CB 0.188 38.681 38.487 0.010 0.000 1.124 350 N HN 0.877 nan 8.380 nan 0.000 0.505 351 T N -2.001 112.778 114.554 0.375 0.000 2.933 351 T HA 0.501 4.851 4.350 -0.001 0.000 0.305 351 T C -0.914 173.790 174.700 0.008 0.000 1.092 351 T CA -0.669 61.586 62.100 0.258 0.000 1.008 351 T CB 1.665 70.593 68.868 0.101 0.000 1.102 351 T HN -0.024 nan 8.240 nan 0.000 0.469 352 V N 3.219 122.975 119.914 -0.263 0.000 2.398 352 V HA 0.593 4.713 4.120 -0.001 0.000 0.286 352 V C -0.057 175.886 176.094 -0.252 0.000 1.026 352 V CA -1.141 60.905 62.300 -0.423 0.000 0.868 352 V CB 1.048 32.454 31.823 -0.694 0.000 0.982 352 V HN 0.808 nan 8.190 nan 0.000 0.443 353 I N 3.429 123.864 120.570 -0.225 0.000 2.301 353 I HA 0.333 4.503 4.170 -0.001 0.000 0.292 353 I C 0.134 175.997 176.117 -0.423 0.000 1.046 353 I CA 0.009 61.153 61.300 -0.261 0.000 1.282 353 I CB 0.721 38.609 38.000 -0.187 0.000 1.409 353 I HN 0.655 nan 8.210 nan 0.000 0.484 354 C N 6.295 125.351 119.300 -0.406 0.000 2.341 354 C HA 0.433 4.893 4.460 -0.001 0.000 0.338 354 C C 0.372 175.084 174.990 -0.463 0.000 1.257 354 C CA -0.545 58.254 59.018 -0.364 0.000 1.883 354 C CB 0.346 27.982 27.740 -0.173 0.000 2.334 354 C HN 0.607 nan 8.230 nan 0.000 0.524 355 H N 1.510 120.596 119.070 0.026 0.000 2.736 355 H HA 0.284 4.840 4.556 -0.000 0.000 0.271 355 H C 0.617 175.985 175.328 0.066 0.000 1.184 355 H CA -0.057 56.021 56.048 0.049 0.000 1.378 355 H CB 0.800 30.603 29.762 0.068 0.000 1.428 355 H HN 0.947 nan 8.280 nan 0.000 0.500 356 G N 1.745 110.608 108.800 0.106 0.000 2.391 356 G HA2 0.257 4.217 3.960 -0.001 0.000 0.234 356 G HA3 0.257 4.217 3.960 -0.001 0.000 0.234 356 G C 0.440 175.391 174.900 0.086 0.000 1.284 356 G CA -0.033 45.106 45.100 0.065 0.000 0.873 356 G HN 0.428 nan 8.290 nan 0.000 0.549 357 V N 0.062 120.000 119.914 0.040 0.000 2.960 357 V HA 0.628 4.747 4.120 -0.001 0.000 0.315 357 V C 1.063 177.164 176.094 0.012 0.000 1.087 357 V CA -0.603 61.719 62.300 0.038 0.000 0.982 357 V CB 1.995 33.808 31.823 -0.017 0.000 1.039 357 V HN 0.707 nan 8.190 nan 0.000 0.437 358 E N 1.998 122.209 120.200 0.018 0.000 2.058 358 E HA -0.047 4.303 4.350 -0.001 0.000 0.194 358 E C 0.711 177.308 176.600 -0.004 0.000 0.997 358 E CA 1.951 58.357 56.400 0.009 0.000 0.801 358 E CB 0.103 29.811 29.700 0.013 0.000 0.746 358 E HN 0.777 nan 8.360 nan 0.000 0.450 359 K N -1.086 119.308 120.400 -0.011 0.000 2.512 359 K HA 0.447 4.767 4.320 -0.001 0.000 0.263 359 K C -1.323 175.256 176.600 -0.034 0.000 0.966 359 K CA -0.737 55.539 56.287 -0.019 0.000 0.851 359 K CB 1.138 33.631 32.500 -0.011 0.000 1.395 359 K HN 0.009 nan 8.250 nan 0.000 0.440 360 L N 1.000 122.202 121.223 -0.036 0.000 2.334 360 L HA 0.502 4.842 4.340 -0.001 0.000 0.270 360 L C -0.414 176.437 176.870 -0.031 0.000 1.018 360 L CA -0.871 53.942 54.840 -0.045 0.000 0.811 360 L CB 2.099 44.132 42.059 -0.044 0.000 1.271 360 L HN 0.553 nan 8.230 nan 0.000 0.443 361 S N 0.032 115.713 115.700 -0.032 0.000 2.454 361 S HA 0.483 4.953 4.470 -0.001 0.000 0.306 361 S C 0.188 174.778 174.600 -0.016 0.000 1.100 361 S CA -0.697 57.491 58.200 -0.020 0.000 1.087 361 S CB 1.659 64.849 63.200 -0.017 0.000 1.019 361 S HN 0.773 nan 8.310 nan 0.000 0.480 362 G N 1.549 110.343 108.800 -0.010 0.000 2.484 362 G HA2 0.502 4.462 3.960 -0.001 0.000 0.235 362 G HA3 0.502 4.462 3.960 -0.001 0.000 0.235 362 G C -0.171 174.727 174.900 -0.003 0.000 1.282 362 G CA 0.185 45.281 45.100 -0.006 0.000 0.857 362 G HN 1.029 nan 8.290 nan 0.000 0.571 363 A N 1.644 124.464 122.820 0.000 0.000 2.511 363 A HA 0.659 4.979 4.320 -0.001 0.000 0.293 363 A C -0.699 176.889 177.584 0.007 0.000 1.098 363 A CA -0.772 51.267 52.037 0.003 0.000 0.643 363 A CB 0.776 19.775 19.000 -0.001 0.000 1.302 363 A HN 0.641 nan 8.150 nan 0.000 0.446 364 Q N 0.569 120.374 119.800 0.009 0.000 2.314 364 Q HA 0.496 4.835 4.340 -0.001 0.000 0.257 364 Q C -0.178 175.828 176.000 0.009 0.000 0.975 364 Q CA -0.490 55.321 55.803 0.012 0.000 0.933 364 Q CB 1.339 30.085 28.738 0.014 0.000 1.195 364 Q HN 0.899 nan 8.270 nan 0.000 0.426 365 V N -0.079 119.841 119.914 0.009 0.000 3.046 365 V HA 0.701 4.821 4.120 -0.001 0.000 0.316 365 V C -0.664 175.431 176.094 0.002 0.000 1.104 365 V CA -1.290 61.012 62.300 0.004 0.000 1.006 365 V CB 2.212 34.036 31.823 0.002 0.000 1.058 365 V HN 0.823 nan 8.190 nan 0.000 0.440 366 M N 2.784 122.382 119.600 -0.003 0.000 2.190 366 M HA 0.793 5.273 4.480 -0.001 0.000 0.312 366 M C -0.077 176.204 176.300 -0.031 0.000 0.990 366 M CA -0.604 54.691 55.300 -0.008 0.000 0.927 366 M CB 1.438 34.042 32.600 0.006 0.000 1.571 366 M HN 1.210 nan 8.290 nan 0.000 0.427 367 A N 2.889 125.676 122.820 -0.056 0.000 2.462 367 A HA 0.430 4.750 4.320 -0.001 0.000 0.243 367 A C 0.831 178.308 177.584 -0.178 0.000 1.076 367 A CA 0.250 52.216 52.037 -0.117 0.000 0.773 367 A CB -0.016 18.905 19.000 -0.130 0.000 1.010 367 A HN 0.960 nan 8.150 nan 0.000 0.493 368 T N -1.690 112.679 114.554 -0.310 0.000 2.959 368 T HA 0.370 4.720 4.350 -0.001 0.000 0.254 368 T C -0.022 174.245 174.700 -0.721 0.000 1.003 368 T CA 0.635 62.523 62.100 -0.354 0.000 0.950 368 T CB -0.387 68.397 68.868 -0.140 0.000 1.090 368 T HN 0.884 nan 8.240 nan 0.000 0.503 369 D N -0.796 119.128 120.400 -0.794 0.000 2.692 369 D HA 0.384 5.023 4.640 -0.001 0.000 0.290 369 D C 0.674 176.745 176.300 -0.382 0.000 1.281 369 D CA -0.935 52.681 54.000 -0.641 0.000 0.804 369 D CB 0.677 41.302 40.800 -0.293 0.000 1.331 369 D HN -0.106 nan 8.370 nan 0.000 0.432 370 L N 0.577 121.708 121.223 -0.153 0.000 1.951 370 L HA -0.121 4.218 4.340 -0.001 0.000 0.222 370 L C 1.999 178.878 176.870 0.015 0.000 1.078 370 L CA 1.936 56.773 54.840 -0.006 0.000 0.778 370 L CB -0.703 41.377 42.059 0.036 0.000 0.893 370 L HN 0.499 nan 8.230 nan 0.000 0.436 371 R N 0.001 120.497 120.500 -0.007 0.000 2.115 371 R HA 0.015 4.354 4.340 -0.001 0.000 0.230 371 R C 2.171 178.413 176.300 -0.096 0.000 1.111 371 R CA 1.232 57.333 56.100 0.002 0.000 0.976 371 R CB -1.536 28.758 30.300 -0.011 0.000 0.870 371 R HN 0.596 nan 8.270 nan 0.000 0.445 372 A N 1.319 124.057 122.820 -0.138 0.000 1.898 372 A HA -0.173 4.147 4.320 -0.001 0.000 0.216 372 A C 2.374 179.885 177.584 -0.121 0.000 1.181 372 A CA 1.921 53.872 52.037 -0.143 0.000 0.620 372 A CB -0.615 18.340 19.000 -0.076 0.000 0.819 372 A HN 0.451 nan 8.150 nan 0.000 0.442 373 S N 0.470 116.083 115.700 -0.144 0.000 2.370 373 S HA -0.068 4.401 4.470 -0.001 0.000 0.226 373 S C 2.107 176.617 174.600 -0.149 0.000 1.033 373 S CA 1.585 59.700 58.200 -0.141 0.000 1.011 373 S CB -0.786 62.325 63.200 -0.149 0.000 0.852 373 S HN 0.961 nan 8.310 nan 0.000 0.457 374 A N 1.511 124.214 122.820 -0.194 0.000 1.933 374 A HA 0.033 4.353 4.320 -0.001 0.000 0.218 374 A C 2.469 179.930 177.584 -0.204 0.000 1.175 374 A CA 1.783 53.632 52.037 -0.313 0.000 0.628 374 A CB -1.180 17.506 19.000 -0.524 0.000 0.814 374 A HN 0.575 nan 8.150 nan 0.000 0.444 375 S N -0.052 115.559 115.700 -0.148 0.000 2.368 375 S HA -0.076 4.394 4.470 -0.001 0.000 0.225 375 S C 1.794 176.352 174.600 -0.070 0.000 1.030 375 S CA 1.409 59.543 58.200 -0.110 0.000 0.999 375 S CB -0.424 62.704 63.200 -0.120 0.000 0.844 375 S HN 0.527 nan 8.310 nan 0.000 0.459 376 L N 0.965 122.154 121.223 -0.056 0.000 2.141 376 L HA -0.052 4.288 4.340 -0.001 0.000 0.209 376 L C 2.269 179.127 176.870 -0.020 0.000 1.094 376 L CA 0.712 55.536 54.840 -0.027 0.000 0.763 376 L CB -0.613 41.433 42.059 -0.022 0.000 0.908 376 L HN 0.206 nan 8.230 nan 0.000 0.437 377 V N 0.146 120.043 119.914 -0.028 0.000 2.358 377 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 377 V C 2.388 178.466 176.094 -0.026 0.000 1.047 377 V CA 1.442 63.749 62.300 0.013 0.000 1.035 377 V CB -0.248 31.606 31.823 0.053 0.000 0.658 377 V HN 0.340 nan 8.190 nan 0.000 0.452 378 L N 0.033 121.215 121.223 -0.067 0.000 2.083 378 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 378 L C 2.745 179.588 176.870 -0.045 0.000 1.083 378 L CA 1.463 56.263 54.840 -0.068 0.000 0.752 378 L CB -0.844 41.156 42.059 -0.097 0.000 0.899 378 L HN 0.371 nan 8.230 nan 0.000 0.433 379 A N 0.567 123.364 122.820 -0.039 0.000 1.883 379 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 379 A C 2.419 179.991 177.584 -0.021 0.000 1.186 379 A CA 1.852 53.872 52.037 -0.028 0.000 0.624 379 A CB -1.306 17.682 19.000 -0.021 0.000 0.822 379 A HN 0.442 nan 8.150 nan 0.000 0.444 380 G N -1.042 107.750 108.800 -0.013 0.000 2.442 380 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.219 380 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.219 380 G C 1.541 176.433 174.900 -0.014 0.000 1.141 380 G CA 1.303 46.399 45.100 -0.007 0.000 0.763 380 G HN 0.536 nan 8.290 nan 0.000 0.554 381 C N 0.681 119.970 119.300 -0.019 0.000 2.425 381 C HA 0.031 4.490 4.460 -0.001 0.000 0.277 381 C C 2.627 177.606 174.990 -0.019 0.000 1.280 381 C CA 0.902 59.907 59.018 -0.021 0.000 1.744 381 C CB -0.879 26.848 27.740 -0.022 0.000 1.989 381 C HN 0.665 nan 8.230 nan 0.000 0.491 382 I N -1.151 119.406 120.570 -0.021 0.000 3.968 382 I HA 0.380 4.550 4.170 -0.001 0.000 0.328 382 I C 1.033 177.139 176.117 -0.019 0.000 1.290 382 I CA -0.120 61.169 61.300 -0.020 0.000 1.163 382 I CB -0.391 37.595 38.000 -0.023 0.000 1.024 382 I HN 0.064 nan 8.210 nan 0.000 0.413 383 A N 1.768 124.576 122.820 -0.019 0.000 2.366 383 A HA 0.282 4.601 4.320 -0.001 0.000 0.249 383 A C -0.038 177.538 177.584 -0.014 0.000 1.084 383 A CA -0.157 51.870 52.037 -0.018 0.000 0.794 383 A CB 0.286 19.276 19.000 -0.018 0.000 1.034 383 A HN 0.406 nan 8.150 nan 0.000 0.491 384 E N 0.153 120.345 120.200 -0.013 0.000 2.052 384 E HA 0.483 4.833 4.350 -0.001 0.000 0.283 384 E C 0.593 177.189 176.600 -0.008 0.000 1.071 384 E CA 1.315 57.709 56.400 -0.009 0.000 0.851 384 E CB -0.233 29.462 29.700 -0.008 0.000 1.066 384 E HN 1.479 nan 8.360 nan 0.000 0.396 385 G N 2.870 111.666 108.800 -0.007 0.000 2.337 385 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.197 385 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.197 385 G C -0.658 174.240 174.900 -0.004 0.000 1.238 385 G CA -0.420 44.678 45.100 -0.005 0.000 1.119 385 G HN 0.504 nan 8.290 nan 0.000 0.514 386 T N 1.380 115.933 114.554 -0.001 0.000 2.767 386 T HA 0.680 5.030 4.350 -0.001 0.000 0.284 386 T C -0.155 174.548 174.700 0.005 0.000 0.973 386 T CA 0.254 62.355 62.100 0.002 0.000 0.996 386 T CB 1.464 70.335 68.868 0.004 0.000 0.927 386 T HN 0.711 nan 8.240 nan 0.000 0.456 387 T N 2.669 117.229 114.554 0.009 0.000 2.829 387 T HA 0.570 4.920 4.350 -0.001 0.000 0.280 387 T C -0.550 174.168 174.700 0.031 0.000 0.999 387 T CA -0.544 61.566 62.100 0.015 0.000 0.983 387 T CB 1.359 70.234 68.868 0.012 0.000 0.968 387 T HN 0.319 nan 8.240 nan 0.000 0.446 388 V N 3.561 123.495 119.914 0.033 0.000 2.376 388 V HA 0.371 4.491 4.120 -0.001 0.000 0.287 388 V C -0.296 175.824 176.094 0.045 0.000 1.015 388 V CA -0.795 61.534 62.300 0.049 0.000 0.834 388 V CB 1.681 33.527 31.823 0.039 0.000 1.001 388 V HN 0.728 nan 8.190 nan 0.000 0.428 389 V N 3.928 123.881 119.914 0.065 0.000 2.334 389 V HA 0.289 4.409 4.120 -0.001 0.000 0.267 389 V C 0.069 176.161 176.094 -0.003 0.000 1.040 389 V CA -0.374 61.942 62.300 0.027 0.000 0.866 389 V CB 1.295 33.137 31.823 0.032 0.000 1.019 389 V HN 0.906 nan 8.190 nan 0.000 0.468 390 D N 3.948 124.344 120.400 -0.007 0.000 2.313 390 D HA 0.352 4.992 4.640 -0.001 0.000 0.247 390 D C 0.782 177.056 176.300 -0.043 0.000 1.094 390 D CA -0.141 53.854 54.000 -0.008 0.000 0.925 390 D CB 0.487 41.295 40.800 0.015 0.000 1.188 390 D HN 0.499 nan 8.370 nan 0.000 0.430 391 R N 1.641 122.123 120.500 -0.031 0.000 3.423 391 R HA -0.181 4.159 4.340 -0.001 0.000 0.271 391 R C 0.872 176.978 176.300 -0.322 0.000 1.093 391 R CA 0.573 56.619 56.100 -0.089 0.000 0.730 391 R CB -2.221 28.037 30.300 -0.069 0.000 1.190 391 R HN 0.492 nan 8.270 nan 0.000 0.437 392 I N -2.000 118.398 120.570 -0.287 0.000 3.241 392 I HA -0.143 4.027 4.170 -0.001 0.000 0.280 392 I C 2.003 177.907 176.117 -0.356 0.000 1.320 392 I CA 0.688 61.727 61.300 -0.435 0.000 1.413 392 I CB -0.985 36.483 38.000 -0.886 0.000 1.060 392 I HN 0.332 nan 8.210 nan 0.000 0.500 393 Y N -0.016 120.161 120.300 -0.205 0.000 2.256 393 Y HA -0.235 4.315 4.550 -0.001 0.000 0.288 393 Y C 2.378 178.192 175.900 -0.143 0.000 1.155 393 Y CA 1.453 59.443 58.100 -0.183 0.000 1.203 393 Y CB -1.687 36.651 38.460 -0.204 0.000 0.980 393 Y HN 0.219 nan 8.280 nan 0.000 0.530 394 H N 0.507 119.219 119.070 -0.596 0.000 2.353 394 H HA -0.186 4.369 4.556 -0.001 0.000 0.298 394 H C 2.357 177.617 175.328 -0.114 0.000 1.103 394 H CA 2.038 57.882 56.048 -0.340 0.000 1.293 394 H CB -0.330 29.173 29.762 -0.432 0.000 1.372 394 H HN 0.504 nan 8.280 nan 0.000 0.501 395 I N 1.050 121.609 120.570 -0.019 0.000 2.493 395 I HA -0.199 3.970 4.170 -0.001 0.000 0.254 395 I C 1.223 177.420 176.117 0.134 0.000 1.160 395 I CA 1.011 62.336 61.300 0.043 0.000 1.445 395 I CB 0.018 37.952 38.000 -0.110 0.000 1.086 395 I HN 0.075 nan 8.210 nan 0.000 0.433 396 D N 0.240 120.684 120.400 0.074 0.000 2.348 396 D HA -0.154 4.486 4.640 -0.001 0.000 0.216 396 D C 2.024 178.390 176.300 0.109 0.000 0.970 396 D CA 0.546 54.608 54.000 0.104 0.000 0.889 396 D CB -0.125 40.722 40.800 0.078 0.000 0.912 396 D HN 0.352 nan 8.370 nan 0.000 0.524 397 R N -0.064 120.503 120.500 0.112 0.000 2.119 397 R HA 0.013 4.353 4.340 -0.001 0.000 0.222 397 R C 1.710 178.046 176.300 0.062 0.000 1.088 397 R CA 1.133 57.287 56.100 0.089 0.000 0.984 397 R CB 0.204 30.563 30.300 0.099 0.000 0.884 397 R HN 0.140 nan 8.270 nan 0.000 0.447 398 G N -1.822 107.020 108.800 0.070 0.000 3.342 398 G HA2 0.113 4.073 3.960 -0.001 0.000 0.252 398 G HA3 0.113 4.073 3.960 -0.001 0.000 0.252 398 G C -0.771 173.984 174.900 -0.242 0.000 1.011 398 G CA -0.229 44.822 45.100 -0.081 0.000 0.869 398 G HN 0.078 nan 8.290 nan 0.000 0.514 399 Y N 0.671 120.999 120.300 0.046 0.000 2.338 399 Y HA 0.412 4.962 4.550 -0.001 0.000 0.333 399 Y C -0.059 175.896 175.900 0.091 0.000 0.968 399 Y CA -1.294 56.849 58.100 0.070 0.000 1.123 399 Y CB 1.767 40.264 38.460 0.061 0.000 1.165 399 Y HN 0.064 nan 8.280 nan 0.000 0.452 400 E N 5.424 125.751 120.200 0.211 0.000 2.166 400 E HA 0.160 4.510 4.350 -0.001 0.000 0.279 400 E C 0.035 176.751 176.600 0.192 0.000 1.095 400 E CA -0.490 56.007 56.400 0.162 0.000 0.888 400 E CB 0.347 30.111 29.700 0.107 0.000 1.041 400 E HN 0.725 nan 8.360 nan 0.000 0.414 401 R N 3.752 124.356 120.500 0.173 0.000 3.109 401 R HA -0.236 4.103 4.340 -0.001 0.000 0.241 401 R C 0.295 176.711 176.300 0.194 0.000 0.882 401 R CA 0.754 56.951 56.100 0.162 0.000 0.604 401 R CB -2.338 28.028 30.300 0.110 0.000 1.040 401 R HN 0.807 nan 8.270 nan 0.000 0.480 402 I N 0.464 121.184 120.570 0.249 0.000 2.361 402 I HA -0.286 3.883 4.170 -0.001 0.000 0.251 402 I C 2.527 178.748 176.117 0.174 0.000 1.133 402 I CA 2.078 63.537 61.300 0.266 0.000 1.413 402 I CB -0.052 38.048 38.000 0.166 0.000 1.073 402 I HN 0.692 nan 8.210 nan 0.000 0.424 403 E N 0.847 121.120 120.200 0.122 0.000 2.038 403 E HA -0.304 4.046 4.350 -0.001 0.000 0.195 403 E C 1.630 178.213 176.600 -0.027 0.000 1.000 403 E CA 2.067 58.431 56.400 -0.060 0.000 0.803 403 E CB -0.080 29.557 29.700 -0.105 0.000 0.750 403 E HN 0.474 nan 8.360 nan 0.000 0.448 404 D N 0.495 120.909 120.400 0.024 0.000 2.097 404 D HA -0.132 4.508 4.640 -0.001 0.000 0.195 404 D C 1.912 178.220 176.300 0.014 0.000 0.989 404 D CA 1.158 55.165 54.000 0.012 0.000 0.827 404 D CB -0.162 40.652 40.800 0.024 0.000 0.966 404 D HN 0.233 nan 8.370 nan 0.000 0.456 405 K N 0.247 120.677 120.400 0.050 0.000 2.057 405 K HA -0.052 4.268 4.320 -0.001 0.000 0.207 405 K C 2.324 178.946 176.600 0.038 0.000 1.049 405 K CA 0.577 56.866 56.287 0.003 0.000 0.931 405 K CB -0.134 32.370 32.500 0.006 0.000 0.714 405 K HN 0.150 nan 8.250 nan 0.000 0.440 406 L N 0.437 121.741 121.223 0.135 0.000 2.056 406 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 406 L C 2.744 179.630 176.870 0.026 0.000 1.078 406 L CA 0.974 55.889 54.840 0.125 0.000 0.749 406 L CB -0.301 41.810 42.059 0.086 0.000 0.901 406 L HN 0.184 nan 8.230 nan 0.000 0.433 407 R N 0.488 120.981 120.500 -0.011 0.000 2.073 407 R HA -0.173 4.166 4.340 -0.001 0.000 0.234 407 R C 2.180 178.466 176.300 -0.024 0.000 1.134 407 R CA 1.489 57.570 56.100 -0.032 0.000 0.952 407 R CB -0.269 30.003 30.300 -0.046 0.000 0.850 407 R HN 0.321 nan 8.270 nan 0.000 0.433 408 A N 0.342 123.147 122.820 -0.026 0.000 2.225 408 A HA -0.055 4.265 4.320 -0.001 0.000 0.215 408 A C 1.706 179.269 177.584 -0.035 0.000 1.164 408 A CA 0.895 52.911 52.037 -0.035 0.000 0.710 408 A CB -0.208 18.763 19.000 -0.048 0.000 0.780 408 A HN 0.374 nan 8.150 nan 0.000 0.473 409 L N -2.081 119.129 121.223 -0.021 0.000 2.693 409 L HA 0.310 4.650 4.340 -0.001 0.000 0.235 409 L C 1.476 178.343 176.870 -0.005 0.000 1.127 409 L CA 0.544 55.377 54.840 -0.011 0.000 0.914 409 L CB 0.335 42.405 42.059 0.018 0.000 1.193 409 L HN 0.508 nan 8.230 nan 0.000 0.502 410 G N -0.048 108.745 108.800 -0.012 0.000 2.184 410 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.206 410 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.206 410 G C 0.341 175.231 174.900 -0.016 0.000 0.995 410 G CA -0.151 44.940 45.100 -0.014 0.000 0.651 410 G HN 0.393 nan 8.290 nan 0.000 0.511 411 A N 0.052 122.861 122.820 -0.018 0.000 2.407 411 A HA 0.605 4.925 4.320 -0.001 0.000 0.248 411 A C 0.483 178.040 177.584 -0.046 0.000 1.082 411 A CA 0.154 52.173 52.037 -0.029 0.000 0.785 411 A CB 0.417 19.398 19.000 -0.031 0.000 1.020 411 A HN 0.491 nan 8.150 nan 0.000 0.489 412 N N 1.884 120.555 118.700 -0.049 0.000 2.817 412 N HA 0.381 5.120 4.740 -0.001 0.000 0.234 412 N C -1.318 174.145 175.510 -0.079 0.000 1.066 412 N CA -0.024 52.993 53.050 -0.054 0.000 0.926 412 N CB 0.284 38.748 38.487 -0.037 0.000 1.176 412 N HN 0.671 nan 8.380 nan 0.000 0.506 413 I N 0.934 121.433 120.570 -0.119 0.000 2.865 413 I HA 0.473 4.643 4.170 -0.001 0.000 0.302 413 I C -1.385 174.601 176.117 -0.217 0.000 1.140 413 I CA -0.630 60.551 61.300 -0.198 0.000 1.021 413 I CB 2.233 40.050 38.000 -0.304 0.000 1.233 413 I HN 0.390 nan 8.210 nan 0.000 0.427 414 E N 6.843 126.902 120.200 -0.235 0.000 2.363 414 E HA 0.308 4.657 4.350 -0.001 0.000 0.281 414 E C -1.752 174.792 176.600 -0.094 0.000 0.953 414 E CA -0.911 55.396 56.400 -0.156 0.000 0.778 414 E CB 2.033 31.694 29.700 -0.066 0.000 1.220 414 E HN 0.681 nan 8.360 nan 0.000 0.431 415 R N 2.859 123.360 120.500 0.002 0.000 2.308 415 R HA 0.378 4.718 4.340 -0.001 0.000 0.305 415 R C -0.572 175.816 176.300 0.147 0.000 1.053 415 R CA -0.400 55.842 56.100 0.237 0.000 0.957 415 R CB 1.002 31.497 30.300 0.324 0.000 1.022 415 R HN 0.357 nan 8.270 nan 0.000 0.461 416 V N 2.087 122.094 119.914 0.154 0.000 2.378 416 V HA 0.445 4.565 4.120 -0.001 0.000 0.288 416 V C -0.016 176.125 176.094 0.078 0.000 1.016 416 V CA -1.215 61.140 62.300 0.092 0.000 0.840 416 V CB 1.213 33.080 31.823 0.075 0.000 0.994 416 V HN 0.663 nan 8.190 nan 0.000 0.431 417 K N 3.873 124.309 120.400 0.060 0.000 2.170 417 K HA 0.447 4.767 4.320 -0.001 0.000 0.241 417 K C 1.131 177.754 176.600 0.037 0.000 1.071 417 K CA 1.205 57.520 56.287 0.047 0.000 0.822 417 K CB -0.388 32.134 32.500 0.036 0.000 1.097 417 K HN 1.748 nan 8.250 nan 0.000 0.522 418 G N 2.616 111.433 108.800 0.028 0.000 2.447 418 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.257 418 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.257 418 G C -0.252 174.662 174.900 0.024 0.000 0.220 418 G CA 1.184 46.297 45.100 0.021 0.000 1.103 418 G HN 0.785 nan 8.290 nan 0.000 0.502 419 E N 0.000 120.216 120.200 0.026 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 419 E CA 0.000 56.417 56.400 0.029 0.000 0.976 419 E CB 0.000 29.714 29.700 0.024 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440