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 1dlg_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGSAIGAR 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 AFPTDMQAQF 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 0.000 176.288 176.300 -0.020 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.006 0.000 1.302 2 D N 4.364 124.741 120.400 -0.039 0.000 2.525 2 D HA 0.225 4.873 4.640 0.014 0.000 0.235 2 D C -0.873 175.357 176.300 -0.117 0.000 1.137 2 D CA 1.140 55.091 54.000 -0.082 0.000 0.868 2 D CB 0.569 41.295 40.800 -0.123 0.000 1.180 2 D HN 0.343 nan 8.370 nan 0.000 0.465 3 K N 0.967 121.291 120.400 -0.126 0.000 2.480 3 K HA 0.542 4.871 4.320 0.014 0.000 0.258 3 K C -0.939 175.619 176.600 -0.071 0.000 0.990 3 K CA -0.733 55.492 56.287 -0.104 0.000 0.857 3 K CB 1.877 34.374 32.500 -0.006 0.000 1.384 3 K HN 0.266 nan 8.250 nan 0.000 0.446 4 F N 1.003 120.958 119.950 0.008 0.000 2.458 4 F HA 0.435 4.964 4.527 0.004 0.000 0.336 4 F C 0.203 176.003 175.800 0.001 0.000 1.114 4 F CA -0.948 57.053 58.000 0.001 0.000 0.987 4 F CB 1.867 40.860 39.000 -0.012 0.000 1.130 4 F HN 0.211 nan 8.300 nan 0.000 0.458 5 R N 3.720 124.352 120.500 0.220 0.000 2.295 5 R HA 0.642 4.990 4.340 0.014 0.000 0.324 5 R C -1.861 174.473 176.300 0.057 0.000 0.968 5 R CA -0.421 55.744 56.100 0.107 0.000 0.837 5 R CB 1.280 31.628 30.300 0.079 0.000 1.133 5 R HN 0.499 nan 8.270 nan 0.000 0.450 6 V N 4.426 124.360 119.914 0.033 0.000 2.540 6 V HA 0.331 4.460 4.120 0.014 0.000 0.302 6 V C -0.464 175.628 176.094 -0.004 0.000 1.035 6 V CA -0.902 61.394 62.300 -0.007 0.000 0.873 6 V CB 1.796 33.605 31.823 -0.022 0.000 0.992 6 V HN 0.716 nan 8.190 nan 0.000 0.428 7 Q N 2.711 122.503 119.800 -0.013 0.000 2.348 7 Q HA 0.631 4.979 4.340 0.014 0.000 0.265 7 Q C 0.076 176.068 176.000 -0.014 0.000 0.998 7 Q CA -0.095 55.703 55.803 -0.008 0.000 0.831 7 Q CB 2.442 31.176 28.738 -0.006 0.000 1.251 7 Q HN 0.998 nan 8.270 nan 0.000 0.456 8 G N 2.932 111.726 108.800 -0.011 0.000 2.816 8 G HA2 0.711 4.679 3.960 0.014 0.000 0.288 8 G HA3 0.711 4.679 3.960 0.014 0.000 0.288 8 G C -2.793 172.102 174.900 -0.009 0.000 1.334 8 G CA -1.208 43.884 45.100 -0.013 0.000 0.978 8 G HN 0.307 nan 8.290 nan 0.000 0.493 9 P HA 0.353 nan 4.420 nan 0.000 0.286 9 P C -0.669 176.624 177.300 -0.012 0.000 1.261 9 P CA -0.074 63.019 63.100 -0.012 0.000 0.821 9 P CB 1.614 33.308 31.700 -0.010 0.000 1.013 10 T N -0.351 114.194 114.554 -0.014 0.000 2.912 10 T HA 0.478 4.836 4.350 0.014 0.000 0.299 10 T C -0.335 174.358 174.700 -0.012 0.000 1.052 10 T CA -1.045 61.047 62.100 -0.013 0.000 0.996 10 T CB 1.788 70.646 68.868 -0.017 0.000 1.070 10 T HN 0.405 nan 8.240 nan 0.000 0.465 11 R N 2.140 122.634 120.500 -0.010 0.000 2.390 11 R HA 0.585 4.934 4.340 0.014 0.000 0.291 11 R C -0.828 175.467 176.300 -0.007 0.000 1.070 11 R CA -0.719 55.376 56.100 -0.008 0.000 1.014 11 R CB 0.374 30.670 30.300 -0.007 0.000 1.007 11 R HN 0.699 nan 8.270 nan 0.000 0.466 12 L N 5.841 127.063 121.223 -0.002 0.000 2.280 12 L HA 0.365 4.714 4.340 0.014 0.000 0.287 12 L C -0.422 176.450 176.870 0.004 0.000 1.023 12 L CA -0.425 54.419 54.840 0.007 0.000 0.819 12 L CB 1.327 43.402 42.059 0.027 0.000 1.212 12 L HN 0.732 nan 8.230 nan 0.000 0.420 13 Q N 2.690 122.487 119.800 -0.006 0.000 2.435 13 Q HA 0.867 5.215 4.340 0.014 0.000 0.282 13 Q C -0.388 175.597 176.000 -0.025 0.000 1.020 13 Q CA -0.723 55.071 55.803 -0.014 0.000 0.820 13 Q CB 3.140 31.866 28.738 -0.019 0.000 1.436 13 Q HN 0.660 nan 8.270 nan 0.000 0.395 14 G N 1.098 109.878 108.800 -0.032 0.000 2.225 14 G HA2 0.009 3.978 3.960 0.014 0.000 0.203 14 G HA3 0.009 3.978 3.960 0.014 0.000 0.203 14 G C -1.638 173.228 174.900 -0.057 0.000 1.335 14 G CA -0.644 44.428 45.100 -0.046 0.000 1.183 14 G HN 0.636 nan 8.290 nan 0.000 0.488 15 E N -1.191 118.965 120.200 -0.075 0.000 2.256 15 E HA 0.635 4.993 4.350 0.014 0.000 0.267 15 E C -1.246 175.273 176.600 -0.135 0.000 0.892 15 E CA -0.864 55.483 56.400 -0.089 0.000 0.775 15 E CB 3.148 32.799 29.700 -0.081 0.000 1.207 15 E HN 0.813 nan 8.360 nan 0.000 0.420 16 V N 1.773 121.589 119.914 -0.164 0.000 2.808 16 V HA 0.401 4.529 4.120 0.014 0.000 0.308 16 V C -1.221 174.760 176.094 -0.187 0.000 1.099 16 V CA -0.304 61.830 62.300 -0.276 0.000 0.920 16 V CB 2.396 33.868 31.823 -0.585 0.000 1.014 16 V HN 0.718 nan 8.190 nan 0.000 0.425 17 T N 7.805 122.260 114.554 -0.165 0.000 2.744 17 T HA 0.515 4.873 4.350 0.014 0.000 0.291 17 T C -0.142 174.518 174.700 -0.068 0.000 0.957 17 T CA -0.220 61.829 62.100 -0.085 0.000 1.002 17 T CB 0.493 69.325 68.868 -0.059 0.000 0.919 17 T HN 0.455 nan 8.240 nan 0.000 0.468 18 I N 3.236 123.797 120.570 -0.016 0.000 2.529 18 I HA 0.197 4.376 4.170 0.014 0.000 0.284 18 I C 1.096 177.229 176.117 0.025 0.000 1.082 18 I CA -0.097 61.224 61.300 0.035 0.000 1.406 18 I CB 0.635 38.670 38.000 0.060 0.000 1.405 18 I HN 0.546 nan 8.210 nan 0.000 0.548 19 S N 3.861 119.587 115.700 0.043 0.000 2.652 19 S HA 0.531 5.009 4.470 0.014 0.000 0.270 19 S C 0.613 175.213 174.600 0.000 0.000 1.243 19 S CA -0.626 57.586 58.200 0.020 0.000 0.999 19 S CB 1.383 64.603 63.200 0.035 0.000 0.973 19 S HN 0.850 nan 8.310 nan 0.000 0.544 20 G N 0.326 109.115 108.800 -0.019 0.000 2.554 20 G HA2 0.445 4.414 3.960 0.014 0.000 0.238 20 G HA3 0.445 4.414 3.960 0.014 0.000 0.238 20 G C -0.092 174.787 174.900 -0.035 0.000 1.259 20 G CA -0.412 44.668 45.100 -0.033 0.000 0.843 20 G HN 0.895 nan 8.290 nan 0.000 0.582 21 A N 1.824 124.620 122.820 -0.040 0.000 2.454 21 A HA 0.304 4.633 4.320 0.014 0.000 0.260 21 A C 1.618 179.177 177.584 -0.041 0.000 1.106 21 A CA -0.269 51.739 52.037 -0.048 0.000 0.780 21 A CB 0.551 19.521 19.000 -0.049 0.000 1.044 21 A HN 0.802 nan 8.150 nan 0.000 0.498 22 K N 2.564 122.941 120.400 -0.038 0.000 2.103 22 K HA -0.176 4.152 4.320 0.014 0.000 0.207 22 K C 0.946 177.560 176.600 0.023 0.000 1.048 22 K CA 2.138 58.418 56.287 -0.011 0.000 0.930 22 K CB -0.143 32.352 32.500 -0.008 0.000 0.716 22 K HN 0.874 nan 8.250 nan 0.000 0.444 23 N N -0.527 118.185 118.700 0.020 0.000 2.521 23 N HA -0.031 4.717 4.740 0.014 0.000 0.188 23 N C 1.094 176.612 175.510 0.013 0.000 1.146 23 N CA 0.284 53.375 53.050 0.069 0.000 0.893 23 N CB 0.302 38.824 38.487 0.058 0.000 0.975 23 N HN 0.210 nan 8.380 nan 0.000 0.451 24 A N 0.337 123.135 122.820 -0.036 0.000 2.026 24 A HA 0.420 4.749 4.320 0.014 0.000 0.201 24 A C 2.144 179.654 177.584 -0.123 0.000 1.318 24 A CA 0.416 52.402 52.037 -0.085 0.000 0.857 24 A CB -0.285 18.681 19.000 -0.057 0.000 0.939 24 A HN 0.216 nan 8.150 nan 0.000 0.476 25 A N 0.328 123.093 122.820 -0.091 0.000 1.902 25 A HA -0.013 4.315 4.320 0.014 0.000 0.217 25 A C 2.106 179.613 177.584 -0.129 0.000 1.181 25 A CA 1.459 53.420 52.037 -0.127 0.000 0.623 25 A CB -0.627 18.318 19.000 -0.092 0.000 0.818 25 A HN 0.440 nan 8.150 nan 0.000 0.443 26 L N -0.077 121.133 121.223 -0.020 0.000 1.994 26 L HA -0.108 4.241 4.340 0.014 0.000 0.208 26 L C -0.256 176.651 176.870 0.063 0.000 1.071 26 L CA 1.699 56.606 54.840 0.112 0.000 0.745 26 L CB -1.413 40.886 42.059 0.399 0.000 0.892 26 L HN 0.283 nan 8.230 nan 0.000 0.431 27 P HA -0.183 nan 4.420 nan 0.000 0.218 27 P C 1.807 178.914 177.300 -0.322 0.000 1.149 27 P CA 1.653 64.383 63.100 -0.616 0.000 0.817 27 P CB 0.030 31.132 31.700 -0.997 0.000 0.785 28 I N -0.865 119.490 120.570 -0.358 0.000 2.252 28 I HA -0.193 3.985 4.170 0.014 0.000 0.245 28 I C 2.600 178.418 176.117 -0.499 0.000 1.102 28 I CA 1.041 61.988 61.300 -0.589 0.000 1.385 28 I CB -0.547 36.968 38.000 -0.808 0.000 1.064 28 I HN -0.155 nan 8.210 nan 0.000 0.414 29 L N -0.372 120.638 121.223 -0.355 0.000 2.046 29 L HA -0.220 4.128 4.340 0.014 0.000 0.208 29 L C 2.431 179.158 176.870 -0.239 0.000 1.077 29 L CA 1.640 56.287 54.840 -0.322 0.000 0.747 29 L CB -0.578 41.254 42.059 -0.379 0.000 0.896 29 L HN 0.129 nan 8.230 nan 0.000 0.432 30 F N -0.388 119.543 119.950 -0.032 0.000 2.186 30 F HA -0.157 4.378 4.527 0.014 0.000 0.299 30 F C 2.569 178.403 175.800 0.056 0.000 1.090 30 F CA 0.865 58.895 58.000 0.048 0.000 1.307 30 F CB -0.464 38.608 39.000 0.121 0.000 1.019 30 F HN 0.009 nan 8.300 nan 0.000 0.489 31 A N 0.054 122.980 122.820 0.176 0.000 2.067 31 A HA -0.028 4.300 4.320 0.014 0.000 0.219 31 A C 2.285 180.045 177.584 0.293 0.000 1.158 31 A CA 1.284 53.447 52.037 0.211 0.000 0.661 31 A CB -1.057 18.086 19.000 0.237 0.000 0.801 31 A HN 0.294 nan 8.150 nan 0.000 0.452 32 A N -0.281 122.696 122.820 0.261 0.000 2.125 32 A HA 0.032 4.361 4.320 0.014 0.000 0.219 32 A C 1.916 179.621 177.584 0.201 0.000 1.156 32 A CA 1.103 53.306 52.037 0.277 0.000 0.671 32 A CB -0.556 18.543 19.000 0.166 0.000 0.794 32 A HN 0.498 nan 8.150 nan 0.000 0.459 33 L N -0.811 120.539 121.223 0.212 0.000 2.362 33 L HA -0.115 4.233 4.340 0.014 0.000 0.219 33 L C 2.032 179.049 176.870 0.244 0.000 1.134 33 L CA 0.587 55.585 54.840 0.264 0.000 0.807 33 L CB -0.339 41.916 42.059 0.326 0.000 0.927 33 L HN 0.404 nan 8.230 nan 0.000 0.447 34 L N -0.410 120.907 121.223 0.156 0.000 2.395 34 L HA 0.068 4.417 4.340 0.014 0.000 0.218 34 L C 1.327 178.202 176.870 0.008 0.000 1.130 34 L CA -0.328 54.542 54.840 0.051 0.000 0.826 34 L CB -0.384 41.689 42.059 0.023 0.000 0.941 34 L HN 0.131 nan 8.230 nan 0.000 0.451 35 A N 0.365 123.217 122.820 0.052 0.000 2.362 35 A HA 0.168 4.496 4.320 0.014 0.000 0.276 35 A C 0.911 178.520 177.584 0.041 0.000 1.153 35 A CA -0.329 51.721 52.037 0.022 0.000 0.813 35 A CB 0.231 19.257 19.000 0.044 0.000 1.081 35 A HN 0.313 nan 8.150 nan 0.000 0.507 36 E N 1.427 121.633 120.200 0.009 0.000 2.478 36 E HA 0.004 4.362 4.350 0.014 0.000 0.194 36 E C -0.158 176.466 176.600 0.039 0.000 1.045 36 E CA 0.523 56.937 56.400 0.023 0.000 0.868 36 E CB 0.353 30.049 29.700 -0.007 0.000 0.885 36 E HN 0.825 nan 8.360 nan 0.000 0.505 37 E N 0.692 120.914 120.200 0.036 0.000 2.320 37 E HA 0.309 4.668 4.350 0.014 0.000 0.264 37 E C -2.674 173.966 176.600 0.067 0.000 0.923 37 E CA -2.597 53.830 56.400 0.045 0.000 0.796 37 E CB 1.619 31.337 29.700 0.030 0.000 1.262 37 E HN -0.170 nan 8.360 nan 0.000 0.428 38 P HA -0.017 nan 4.420 nan 0.000 0.266 38 P C -1.085 176.287 177.300 0.119 0.000 1.193 38 P CA 0.136 63.303 63.100 0.111 0.000 0.770 38 P CB 0.481 32.253 31.700 0.120 0.000 0.836 39 V N 1.922 121.921 119.914 0.142 0.000 2.789 39 V HA 0.355 4.483 4.120 0.014 0.000 0.311 39 V C -0.182 175.971 176.094 0.099 0.000 1.073 39 V CA -0.575 61.808 62.300 0.139 0.000 0.921 39 V CB 2.065 34.000 31.823 0.187 0.000 1.009 39 V HN 0.489 nan 8.190 nan 0.000 0.426 40 E N 4.034 124.255 120.200 0.036 0.000 2.129 40 E HA 0.452 4.810 4.350 0.014 0.000 0.268 40 E C -1.462 175.035 176.600 -0.172 0.000 0.900 40 E CA -0.674 55.595 56.400 -0.219 0.000 0.755 40 E CB 1.254 30.821 29.700 -0.221 0.000 1.117 40 E HN 0.493 nan 8.360 nan 0.000 0.410 41 I N 4.803 125.210 120.570 -0.271 0.000 2.306 41 I HA 0.175 4.353 4.170 0.014 0.000 0.288 41 I C 0.314 176.264 176.117 -0.277 0.000 1.036 41 I CA -0.378 60.807 61.300 -0.190 0.000 1.221 41 I CB 0.851 38.720 38.000 -0.218 0.000 1.385 41 I HN 0.554 nan 8.210 nan 0.000 0.472 42 Q N 4.070 123.746 119.800 -0.207 0.000 2.260 42 Q HA 0.260 4.608 4.340 0.014 0.000 0.238 42 Q C 0.357 176.264 176.000 -0.154 0.000 0.948 42 Q CA -0.597 55.080 55.803 -0.210 0.000 0.895 42 Q CB 0.852 29.490 28.738 -0.167 0.000 1.218 42 Q HN 0.521 nan 8.270 nan 0.000 0.470 43 N N -0.338 118.283 118.700 -0.132 0.000 2.756 43 N HA -0.158 4.590 4.740 0.014 0.000 0.248 43 N C -1.813 173.644 175.510 -0.087 0.000 1.062 43 N CA 0.233 53.228 53.050 -0.093 0.000 0.696 43 N CB -0.920 37.516 38.487 -0.084 0.000 0.946 43 N HN 0.333 nan 8.380 nan 0.000 0.548 44 V N 1.905 121.759 119.914 -0.101 0.000 2.383 44 V HA 0.456 4.584 4.120 0.014 0.000 0.275 44 V C -1.404 174.658 176.094 -0.054 0.000 1.036 44 V CA -1.141 61.106 62.300 -0.089 0.000 0.889 44 V CB 1.389 33.143 31.823 -0.116 0.000 0.985 44 V HN 0.213 nan 8.190 nan 0.000 0.459 45 P HA 0.178 nan 4.420 nan 0.000 0.272 45 P C -0.825 176.472 177.300 -0.004 0.000 1.230 45 P CA -0.512 62.581 63.100 -0.011 0.000 0.788 45 P CB 0.936 32.634 31.700 -0.004 0.000 0.949 46 K N 2.293 122.701 120.400 0.014 0.000 2.206 46 K HA 0.434 4.763 4.320 0.014 0.000 0.268 46 K C -0.253 176.365 176.600 0.030 0.000 1.111 46 K CA -0.190 56.108 56.287 0.019 0.000 0.955 46 K CB -0.057 32.459 32.500 0.027 0.000 1.406 46 K HN 0.423 nan 8.250 nan 0.000 0.427 47 L N 1.186 122.423 121.223 0.023 0.000 2.376 47 L HA 0.317 4.665 4.340 0.014 0.000 0.258 47 L C 1.411 178.296 176.870 0.025 0.000 1.013 47 L CA -0.925 53.934 54.840 0.033 0.000 0.822 47 L CB 1.739 43.818 42.059 0.034 0.000 1.388 47 L HN 0.372 nan 8.230 nan 0.000 0.413 48 K N 0.495 120.913 120.400 0.031 0.000 2.052 48 K HA -0.245 4.083 4.320 0.014 0.000 0.215 48 K C 1.012 177.624 176.600 0.019 0.000 1.053 48 K CA 2.465 58.765 56.287 0.022 0.000 0.934 48 K CB 0.083 32.598 32.500 0.025 0.000 0.717 48 K HN 0.668 nan 8.250 nan 0.000 0.450 49 D N 0.479 120.897 120.400 0.029 0.000 2.182 49 D HA -0.154 4.494 4.640 0.014 0.000 0.201 49 D C 1.875 178.191 176.300 0.027 0.000 0.986 49 D CA 0.833 54.857 54.000 0.040 0.000 0.847 49 D CB -0.079 40.757 40.800 0.061 0.000 0.942 49 D HN 0.236 nan 8.370 nan 0.000 0.467 50 I N 1.300 121.875 120.570 0.008 0.000 2.226 50 I HA -0.191 3.987 4.170 0.014 0.000 0.245 50 I C 1.726 177.825 176.117 -0.030 0.000 1.100 50 I CA 1.171 62.457 61.300 -0.023 0.000 1.374 50 I CB -0.915 37.070 38.000 -0.025 0.000 1.057 50 I HN -0.048 nan 8.210 nan 0.000 0.413 51 D N 0.655 121.049 120.400 -0.011 0.000 2.117 51 D HA -0.130 4.518 4.640 0.014 0.000 0.197 51 D C 2.194 178.486 176.300 -0.013 0.000 0.987 51 D CA 1.600 55.594 54.000 -0.010 0.000 0.829 51 D CB -0.285 40.514 40.800 -0.002 0.000 0.961 51 D HN 0.259 nan 8.370 nan 0.000 0.460 52 T N 0.220 114.772 114.554 -0.003 0.000 2.746 52 T HA -0.117 4.241 4.350 0.014 0.000 0.267 52 T C 2.011 176.717 174.700 0.009 0.000 1.039 52 T CA 1.697 63.800 62.100 0.005 0.000 1.142 52 T CB -0.508 68.371 68.868 0.018 0.000 0.866 52 T HN 0.150 nan 8.240 nan 0.000 0.444 53 T N 2.177 116.725 114.554 -0.012 0.000 2.746 53 T HA 0.017 4.375 4.350 0.014 0.000 0.267 53 T C 2.072 176.692 174.700 -0.135 0.000 1.039 53 T CA 1.072 63.110 62.100 -0.103 0.000 1.142 53 T CB -0.339 68.376 68.868 -0.254 0.000 0.866 53 T HN 0.315 nan 8.240 nan 0.000 0.444 54 M N 0.595 120.137 119.600 -0.096 0.000 2.117 54 M HA -0.092 4.396 4.480 0.014 0.000 0.262 54 M C 2.342 178.619 176.300 -0.039 0.000 1.065 54 M CA 1.649 56.907 55.300 -0.070 0.000 1.114 54 M CB -0.353 32.223 32.600 -0.040 0.000 1.361 54 M HN 0.141 nan 8.290 nan 0.000 0.408 55 K N 0.396 120.781 120.400 -0.025 0.000 2.097 55 K HA -0.119 4.209 4.320 0.014 0.000 0.206 55 K C 1.954 178.549 176.600 -0.009 0.000 1.049 55 K CA 1.080 57.358 56.287 -0.015 0.000 0.933 55 K CB -0.290 32.203 32.500 -0.012 0.000 0.717 55 K HN 0.321 nan 8.250 nan 0.000 0.442 56 L N 1.237 122.464 121.223 0.007 0.000 2.017 56 L HA -0.184 4.164 4.340 0.014 0.000 0.208 56 L C 2.077 178.965 176.870 0.030 0.000 1.073 56 L CA 1.241 56.105 54.840 0.040 0.000 0.745 56 L CB -0.125 42.007 42.059 0.121 0.000 0.894 56 L HN 0.180 nan 8.230 nan 0.000 0.432 57 L N -0.882 120.342 121.223 0.002 0.000 2.083 57 L HA -0.211 4.137 4.340 0.014 0.000 0.209 57 L C 2.493 179.352 176.870 -0.018 0.000 1.083 57 L CA 1.638 56.475 54.840 -0.005 0.000 0.752 57 L CB -0.947 41.082 42.059 -0.051 0.000 0.899 57 L HN 0.289 nan 8.230 nan 0.000 0.433 58 T N -1.073 113.468 114.554 -0.022 0.000 2.708 58 T HA -0.276 4.082 4.350 0.014 0.000 0.266 58 T C 1.814 176.489 174.700 -0.041 0.000 1.037 58 T CA 1.611 63.696 62.100 -0.025 0.000 1.146 58 T CB -0.189 68.668 68.868 -0.019 0.000 0.865 58 T HN 0.228 nan 8.240 nan 0.000 0.435 59 Q N 0.853 120.629 119.800 -0.039 0.000 2.297 59 Q HA 0.018 4.367 4.340 0.014 0.000 0.208 59 Q C 1.790 177.733 176.000 -0.095 0.000 0.981 59 Q CA 1.287 57.057 55.803 -0.055 0.000 0.876 59 Q CB -0.703 28.012 28.738 -0.039 0.000 0.921 59 Q HN 0.537 nan 8.270 nan 0.000 0.446 60 L N -1.770 119.395 121.223 -0.097 0.000 2.492 60 L HA 0.218 4.566 4.340 0.014 0.000 0.223 60 L C 1.285 178.021 176.870 -0.224 0.000 1.132 60 L CA 0.576 55.311 54.840 -0.176 0.000 0.850 60 L CB -0.085 41.902 42.059 -0.120 0.000 0.966 60 L HN 0.522 nan 8.230 nan 0.000 0.454 61 G N -0.457 108.260 108.800 -0.139 0.000 2.192 61 G HA2 -0.202 3.766 3.960 0.014 0.000 0.193 61 G HA3 -0.202 3.766 3.960 0.014 0.000 0.193 61 G C 0.240 175.102 174.900 -0.063 0.000 0.999 61 G CA -0.079 44.948 45.100 -0.122 0.000 0.659 61 G HN 0.215 nan 8.290 nan 0.000 0.503 62 T N 1.658 116.187 114.554 -0.041 0.000 2.897 62 T HA 0.468 4.826 4.350 0.014 0.000 0.294 62 T C 0.288 174.993 174.700 0.008 0.000 1.004 62 T CA 0.087 62.189 62.100 0.003 0.000 1.106 62 T CB 1.922 70.799 68.868 0.016 0.000 0.949 62 T HN 0.412 nan 8.240 nan 0.000 0.520 63 K N 2.837 123.254 120.400 0.028 0.000 2.248 63 K HA 0.498 4.826 4.320 0.014 0.000 0.281 63 K C -1.239 175.392 176.600 0.051 0.000 1.054 63 K CA -0.539 55.766 56.287 0.030 0.000 0.903 63 K CB 0.973 33.493 32.500 0.033 0.000 1.077 63 K HN 0.438 nan 8.250 nan 0.000 0.474 64 V N 3.769 123.710 119.914 0.045 0.000 2.789 64 V HA 0.521 4.649 4.120 0.014 0.000 0.311 64 V C -1.640 174.503 176.094 0.083 0.000 1.073 64 V CA -0.375 61.966 62.300 0.067 0.000 0.921 64 V CB 1.970 33.811 31.823 0.030 0.000 1.009 64 V HN 1.016 nan 8.190 nan 0.000 0.426 65 E N 4.838 125.130 120.200 0.155 0.000 2.413 65 E HA 0.751 5.110 4.350 0.014 0.000 0.277 65 E C -1.353 175.433 176.600 0.311 0.000 0.958 65 E CA -1.017 55.486 56.400 0.171 0.000 0.779 65 E CB 2.735 32.504 29.700 0.115 0.000 1.278 65 E HN 0.866 nan 8.360 nan 0.000 0.456 66 R N -0.041 120.620 120.500 0.269 0.000 2.781 66 R HA 0.369 4.718 4.340 0.014 0.000 0.269 66 R C -0.589 175.889 176.300 0.296 0.000 1.025 66 R CA -0.703 55.587 56.100 0.316 0.000 0.914 66 R CB 0.645 31.019 30.300 0.123 0.000 1.236 66 R HN 0.513 nan 8.270 nan 0.000 0.465 67 D N 1.018 121.604 120.400 0.309 0.000 1.913 67 D HA -0.002 4.647 4.640 0.014 0.000 0.280 67 D C 1.402 177.769 176.300 0.111 0.000 1.012 67 D CA 1.170 55.300 54.000 0.217 0.000 0.892 67 D CB -1.036 39.893 40.800 0.214 0.000 1.119 67 D HN 0.646 nan 8.370 nan 0.000 0.434 68 G N -1.162 107.670 108.800 0.053 0.000 2.838 68 G HA2 0.178 4.147 3.960 0.014 0.000 0.210 68 G HA3 0.178 4.147 3.960 0.014 0.000 0.210 68 G C 0.428 175.256 174.900 -0.121 0.000 1.153 68 G CA 0.085 45.172 45.100 -0.022 0.000 0.778 68 G HN 0.339 nan 8.290 nan 0.000 0.539 69 S N -1.044 114.508 115.700 -0.246 0.000 2.681 69 S HA 0.654 5.133 4.470 0.014 0.000 0.299 69 S C -0.739 173.534 174.600 -0.546 0.000 1.113 69 S CA -0.456 57.404 58.200 -0.566 0.000 1.013 69 S CB 2.425 64.941 63.200 -1.139 0.000 1.076 69 S HN -0.057 nan 8.310 nan 0.000 0.534 70 V N 1.981 121.584 119.914 -0.518 0.000 2.487 70 V HA 0.382 4.510 4.120 0.014 0.000 0.298 70 V C -1.039 174.870 176.094 -0.308 0.000 1.028 70 V CA -0.633 61.526 62.300 -0.235 0.000 0.860 70 V CB 1.286 33.024 31.823 -0.143 0.000 0.991 70 V HN 0.785 nan 8.190 nan 0.000 0.427 71 W N 5.740 127.038 121.300 -0.003 0.000 2.391 71 W HA 0.658 5.326 4.660 0.013 0.000 0.311 71 W C -0.590 175.935 176.519 0.009 0.000 1.087 71 W CA -0.536 56.815 57.345 0.011 0.000 1.209 71 W CB 1.723 31.189 29.460 0.011 0.000 1.273 71 W HN 0.389 nan 8.180 nan 0.000 0.482 72 I N 3.039 123.720 120.570 0.185 0.000 2.509 72 I HA 0.162 4.340 4.170 0.014 0.000 0.293 72 I C -0.577 175.622 176.117 0.136 0.000 1.020 72 I CA -0.400 60.977 61.300 0.128 0.000 1.088 72 I CB 2.277 40.322 38.000 0.075 0.000 1.267 72 I HN 0.151 nan 8.210 nan 0.000 0.430 73 D N 5.281 125.749 120.400 0.114 0.000 2.421 73 D HA 0.450 5.098 4.640 0.014 0.000 0.254 73 D C -0.228 176.131 176.300 0.098 0.000 1.238 73 D CA -0.337 53.725 54.000 0.104 0.000 0.919 73 D CB 1.953 42.807 40.800 0.089 0.000 1.152 73 D HN 0.594 nan 8.370 nan 0.000 0.552 74 A N 2.618 125.510 122.820 0.121 0.000 2.507 74 A HA 0.162 4.490 4.320 0.014 0.000 0.270 74 A C 1.668 179.365 177.584 0.189 0.000 1.318 74 A CA 0.322 52.452 52.037 0.156 0.000 0.924 74 A CB -0.239 18.884 19.000 0.205 0.000 1.061 74 A HN 0.465 nan 8.150 nan 0.000 0.516 75 S N 0.073 115.855 115.700 0.137 0.000 2.423 75 S HA -0.140 4.338 4.470 0.014 0.000 0.231 75 S C 0.824 175.512 174.600 0.146 0.000 1.014 75 S CA 1.428 59.709 58.200 0.135 0.000 0.965 75 S CB -0.548 62.706 63.200 0.090 0.000 0.785 75 S HN 0.690 nan 8.310 nan 0.000 0.495 76 N N 0.826 119.590 118.700 0.107 0.000 2.328 76 N HA 0.316 5.064 4.740 0.014 0.000 0.247 76 N C -1.175 174.343 175.510 0.012 0.000 1.165 76 N CA -0.277 52.815 53.050 0.071 0.000 0.873 76 N CB 1.168 39.676 38.487 0.034 0.000 1.125 76 N HN 0.093 nan 8.380 nan 0.000 0.513 77 V N 2.518 122.441 119.914 0.014 0.000 2.557 77 V HA -0.061 4.068 4.120 0.014 0.000 0.301 77 V C 0.693 176.583 176.094 -0.341 0.000 1.026 77 V CA 0.663 62.837 62.300 -0.211 0.000 1.137 77 V CB 0.224 31.841 31.823 -0.344 0.000 0.917 77 V HN 0.613 nan 8.190 nan 0.000 0.484 78 N N 2.041 120.452 118.700 -0.481 0.000 2.116 78 N HA 0.127 4.875 4.740 0.014 0.000 0.230 78 N C -0.318 174.625 175.510 -0.944 0.000 1.326 78 N CA -0.432 52.298 53.050 -0.535 0.000 0.867 78 N CB 0.206 38.562 38.487 -0.218 0.000 1.174 78 N HN 0.569 nan 8.380 nan 0.000 0.506 79 N N 0.121 118.140 118.700 -1.135 0.000 2.258 79 N HA 0.415 5.163 4.740 0.014 0.000 0.299 79 N C -1.656 173.176 175.510 -1.130 0.000 1.047 79 N CA -0.774 51.718 53.050 -0.930 0.000 0.814 79 N CB 1.001 39.232 38.487 -0.426 0.000 1.413 79 N HN 0.088 nan 8.380 nan 0.000 0.478 80 F N 0.534 120.417 119.950 -0.111 0.000 2.850 80 F HA 0.401 4.937 4.527 0.014 0.000 0.329 80 F C 0.546 176.314 175.800 -0.054 0.000 1.182 80 F CA -0.557 57.387 58.000 -0.094 0.000 1.270 80 F CB 0.616 39.569 39.000 -0.078 0.000 0.979 80 F HN 0.286 nan 8.300 nan 0.000 0.506 81 S N 1.284 116.986 115.700 0.003 0.000 2.614 81 S HA 0.807 5.286 4.470 0.014 0.000 0.288 81 S C -0.654 173.937 174.600 -0.015 0.000 1.137 81 S CA -0.445 57.753 58.200 -0.003 0.000 0.992 81 S CB 1.118 64.295 63.200 -0.038 0.000 1.026 81 S HN 0.224 nan 8.310 nan 0.000 0.486 82 A N 6.717 129.540 122.820 0.005 0.000 2.294 82 A HA 0.672 5.000 4.320 0.014 0.000 0.316 82 A C -2.468 175.120 177.584 0.007 0.000 1.359 82 A CA -1.617 50.428 52.037 0.013 0.000 0.956 82 A CB 0.080 19.098 19.000 0.030 0.000 1.155 82 A HN 0.646 nan 8.150 nan 0.000 0.544 83 P HA -0.020 nan 4.420 nan 0.000 0.274 83 P C 0.415 177.747 177.300 0.054 0.000 1.237 83 P CA -0.104 63.016 63.100 0.032 0.000 0.793 83 P CB 0.632 32.346 31.700 0.023 0.000 0.977 84 Y N 2.709 123.004 120.300 -0.009 0.000 2.102 84 Y HA -0.331 4.228 4.550 0.014 0.000 0.280 84 Y C 1.539 177.436 175.900 -0.006 0.000 1.178 84 Y CA 2.639 60.737 58.100 -0.003 0.000 1.146 84 Y CB -1.104 37.357 38.460 0.002 0.000 0.968 84 Y HN 0.307 nan 8.280 nan 0.000 0.504 85 D N 0.323 120.707 120.400 -0.027 0.000 2.149 85 D HA -0.218 4.430 4.640 0.014 0.000 0.198 85 D C 1.854 178.062 176.300 -0.153 0.000 0.990 85 D CA 2.002 55.943 54.000 -0.099 0.000 0.839 85 D CB -0.419 40.402 40.800 0.034 0.000 0.948 85 D HN 0.444 nan 8.370 nan 0.000 0.460 86 L N 0.170 121.334 121.223 -0.098 0.000 2.567 86 L HA 0.106 4.454 4.340 0.014 0.000 0.225 86 L C 1.731 178.552 176.870 -0.081 0.000 1.119 86 L CA 0.098 54.895 54.840 -0.071 0.000 0.871 86 L CB 0.210 42.255 42.059 -0.025 0.000 1.036 86 L HN 0.116 nan 8.230 nan 0.000 0.459 87 V N -3.496 116.334 119.914 -0.140 0.000 3.612 87 V HA 0.026 4.154 4.120 0.014 0.000 0.268 87 V C 2.179 178.160 176.094 -0.189 0.000 1.365 87 V CA 0.224 62.452 62.300 -0.121 0.000 1.044 87 V CB -0.019 31.754 31.823 -0.082 0.000 0.820 87 V HN 0.411 nan 8.190 nan 0.000 0.444 88 K N 2.564 122.747 120.400 -0.362 0.000 2.228 88 K HA -0.194 4.134 4.320 0.014 0.000 0.205 88 K C 1.698 178.177 176.600 -0.201 0.000 1.045 88 K CA 2.257 58.305 56.287 -0.398 0.000 0.931 88 K CB -0.983 31.039 32.500 -0.796 0.000 0.727 88 K HN 0.672 nan 8.250 nan 0.000 0.458 89 T N -2.253 112.208 114.554 -0.155 0.000 3.086 89 T HA 0.227 4.586 4.350 0.014 0.000 0.250 89 T C 0.419 175.085 174.700 -0.058 0.000 1.074 89 T CA -0.526 61.521 62.100 -0.089 0.000 0.988 89 T CB 0.025 68.850 68.868 -0.073 0.000 0.988 89 T HN 0.262 nan 8.240 nan 0.000 0.530 90 M N 1.134 120.693 119.600 -0.068 0.000 2.164 90 M HA 0.445 4.934 4.480 0.014 0.000 0.260 90 M C 0.428 176.669 176.300 -0.098 0.000 0.974 90 M CA -0.669 54.600 55.300 -0.052 0.000 1.020 90 M CB 1.318 33.918 32.600 -0.001 0.000 1.903 90 M HN -0.118 nan 8.290 nan 0.000 0.469 91 R N 1.503 121.925 120.500 -0.129 0.000 2.159 91 R HA -0.071 4.277 4.340 0.014 0.000 0.237 91 R C 1.736 177.836 176.300 -0.334 0.000 1.131 91 R CA 1.689 57.666 56.100 -0.205 0.000 0.982 91 R CB -0.079 30.106 30.300 -0.192 0.000 0.868 91 R HN 0.814 nan 8.270 nan 0.000 0.453 92 A N 0.511 123.141 122.820 -0.316 0.000 2.131 92 A HA -0.132 4.196 4.320 0.014 0.000 0.220 92 A C 1.986 179.319 177.584 -0.418 0.000 1.158 92 A CA 1.366 53.117 52.037 -0.477 0.000 0.665 92 A CB -0.310 18.630 19.000 -0.100 0.000 0.795 92 A HN 0.212 nan 8.150 nan 0.000 0.460 93 S N -0.404 115.140 115.700 -0.261 0.000 2.440 93 S HA -0.178 4.300 4.470 0.014 0.000 0.238 93 S C 1.675 176.003 174.600 -0.454 0.000 1.010 93 S CA 1.288 59.328 58.200 -0.266 0.000 0.972 93 S CB -0.424 62.717 63.200 -0.098 0.000 0.774 93 S HN 0.617 nan 8.310 nan 0.000 0.501 94 I N 0.903 121.186 120.570 -0.478 0.000 2.423 94 I HA -0.110 4.068 4.170 0.014 0.000 0.254 94 I C 1.389 177.290 176.117 -0.360 0.000 1.151 94 I CA 0.880 61.909 61.300 -0.452 0.000 1.421 94 I CB -0.413 37.191 38.000 -0.659 0.000 1.079 94 I HN 0.375 nan 8.210 nan 0.000 0.431 95 W N 0.580 121.539 121.300 -0.569 0.000 2.721 95 W HA 0.034 4.702 4.660 0.013 0.000 0.245 95 W C 2.364 178.554 176.519 -0.548 0.000 1.276 95 W CA 0.793 57.825 57.345 -0.522 0.000 1.342 95 W CB -1.228 27.933 29.460 -0.500 0.000 1.135 95 W HN 0.312 nan 8.180 nan 0.000 0.654 96 A N -0.380 122.164 122.820 -0.460 0.000 2.067 96 A HA -0.072 4.256 4.320 0.014 0.000 0.217 96 A C 1.961 179.592 177.584 0.077 0.000 1.156 96 A CA 0.810 52.827 52.037 -0.032 0.000 0.683 96 A CB -0.559 18.476 19.000 0.057 0.000 0.808 96 A HN 0.138 nan 8.150 nan 0.000 0.455 97 L N 0.207 121.445 121.223 0.024 0.000 1.989 97 L HA -0.068 4.281 4.340 0.014 0.000 0.211 97 L C 2.461 179.395 176.870 0.107 0.000 1.071 97 L CA 2.396 57.275 54.840 0.066 0.000 0.749 97 L CB -1.072 41.002 42.059 0.026 0.000 0.890 97 L HN 0.311 nan 8.230 nan 0.000 0.431 98 G N -0.904 107.971 108.800 0.125 0.000 2.421 98 G HA2 -0.191 3.777 3.960 0.014 0.000 0.216 98 G HA3 -0.191 3.777 3.960 0.014 0.000 0.216 98 G C -0.687 174.286 174.900 0.122 0.000 1.171 98 G CA 0.885 46.057 45.100 0.120 0.000 0.775 98 G HN 0.375 nan 8.290 nan 0.000 0.543 99 P HA 0.002 nan 4.420 nan 0.000 0.217 99 P C 2.080 179.516 177.300 0.226 0.000 1.150 99 P CA 0.581 63.784 63.100 0.172 0.000 0.832 99 P CB -0.059 31.775 31.700 0.223 0.000 0.787 100 L N -1.065 120.320 121.223 0.270 0.000 2.017 100 L HA -0.142 4.206 4.340 0.014 0.000 0.208 100 L C 2.454 179.474 176.870 0.249 0.000 1.073 100 L CA 1.369 56.430 54.840 0.368 0.000 0.745 100 L CB -1.143 41.093 42.059 0.296 0.000 0.894 100 L HN -0.084 nan 8.230 nan 0.000 0.432 101 V N -0.201 119.795 119.914 0.138 0.000 2.453 101 V HA -0.201 3.927 4.120 0.014 0.000 0.247 101 V C 2.581 178.698 176.094 0.038 0.000 1.048 101 V CA 1.725 64.066 62.300 0.069 0.000 1.049 101 V CB -0.002 31.853 31.823 0.052 0.000 0.672 101 V HN 0.412 nan 8.190 nan 0.000 0.457 102 A N -0.002 122.842 122.820 0.041 0.000 1.902 102 A HA -0.219 4.109 4.320 0.014 0.000 0.217 102 A C 2.434 179.980 177.584 -0.063 0.000 1.181 102 A CA 2.105 54.140 52.037 -0.003 0.000 0.623 102 A CB -0.558 18.446 19.000 0.007 0.000 0.818 102 A HN 0.582 nan 8.150 nan 0.000 0.443 103 R N -2.252 118.189 120.500 -0.097 0.000 2.105 103 R HA 0.121 4.469 4.340 0.014 0.000 0.214 103 R C 0.888 176.891 176.300 -0.495 0.000 1.091 103 R CA 0.967 56.860 56.100 -0.344 0.000 1.007 103 R CB -0.050 29.915 30.300 -0.559 0.000 0.912 103 R HN 0.475 nan 8.270 nan 0.000 0.450 104 F N -0.740 119.176 119.950 -0.056 0.000 2.678 104 F HA 0.380 4.915 4.527 0.014 0.000 0.305 104 F C 1.362 176.998 175.800 -0.274 0.000 1.090 104 F CA 0.403 58.294 58.000 -0.181 0.000 1.272 104 F CB 1.336 40.163 39.000 -0.288 0.000 1.060 104 F HN 0.297 nan 8.300 nan 0.000 0.576 105 G N 0.979 109.754 108.800 -0.042 0.000 2.184 105 G HA2 -0.263 3.705 3.960 0.014 0.000 0.264 105 G HA3 -0.263 3.705 3.960 0.014 0.000 0.264 105 G C 0.056 174.909 174.900 -0.079 0.000 0.975 105 G CA 0.433 45.494 45.100 -0.065 0.000 0.642 105 G HN 0.514 nan 8.290 nan 0.000 0.536 106 Q N -1.735 118.000 119.800 -0.109 0.000 2.479 106 Q HA 0.629 4.977 4.340 0.014 0.000 0.276 106 Q C -0.543 175.459 176.000 0.002 0.000 0.989 106 Q CA -0.646 55.111 55.803 -0.077 0.000 0.864 106 Q CB 1.589 30.246 28.738 -0.134 0.000 1.444 106 Q HN 1.519 nan 8.270 nan 0.000 0.388 107 G N 0.745 109.585 108.800 0.067 0.000 2.732 107 G HA2 0.505 4.473 3.960 0.014 0.000 0.296 107 G HA3 0.505 4.473 3.960 0.014 0.000 0.296 107 G C -2.181 172.771 174.900 0.087 0.000 1.448 107 G CA -0.501 44.672 45.100 0.123 0.000 0.911 107 G HN 0.592 nan 8.290 nan 0.000 0.528 108 Q N 0.350 120.196 119.800 0.077 0.000 2.315 108 Q HA 0.664 5.013 4.340 0.014 0.000 0.273 108 Q C -1.795 174.221 176.000 0.028 0.000 1.053 108 Q CA -0.686 55.141 55.803 0.039 0.000 0.817 108 Q CB 2.920 31.639 28.738 -0.032 0.000 1.326 108 Q HN 0.500 nan 8.270 nan 0.000 0.423 109 V N 2.381 122.319 119.914 0.040 0.000 2.709 109 V HA 0.460 4.588 4.120 0.014 0.000 0.308 109 V C -0.211 175.925 176.094 0.070 0.000 1.062 109 V CA -0.729 61.584 62.300 0.022 0.000 0.901 109 V CB 1.835 33.641 31.823 -0.029 0.000 1.003 109 V HN 0.879 nan 8.190 nan 0.000 0.425 110 S N 5.675 121.419 115.700 0.073 0.000 2.592 110 S HA 0.730 5.208 4.470 0.014 0.000 0.271 110 S C -0.689 173.970 174.600 0.097 0.000 1.326 110 S CA -0.328 57.958 58.200 0.145 0.000 1.024 110 S CB 0.617 63.924 63.200 0.179 0.000 0.921 110 S HN 0.535 nan 8.310 nan 0.000 0.527 111 L N 2.712 124.000 121.223 0.109 0.000 2.323 111 L HA 0.624 4.972 4.340 0.014 0.000 0.265 111 L C -2.181 174.740 176.870 0.084 0.000 1.012 111 L CA -2.585 52.282 54.840 0.044 0.000 0.820 111 L CB 2.232 44.287 42.059 -0.006 0.000 1.334 111 L HN 0.584 nan 8.230 nan 0.000 0.427 112 P HA 0.161 nan 4.420 nan 0.000 0.279 112 P C -0.260 177.064 177.300 0.041 0.000 1.239 112 P CA -0.133 63.020 63.100 0.088 0.000 0.789 112 P CB 1.295 33.027 31.700 0.053 0.000 0.933 113 G N 0.884 109.706 108.800 0.037 0.000 2.516 113 G HA2 0.595 4.564 3.960 0.014 0.000 0.276 113 G HA3 0.595 4.564 3.960 0.014 0.000 0.276 113 G C -0.021 174.881 174.900 0.003 0.000 1.390 113 G CA -0.180 44.922 45.100 0.003 0.000 1.050 113 G HN 0.853 nan 8.290 nan 0.000 0.519 114 G N -2.997 105.800 108.800 -0.005 0.000 2.353 114 G HA2 0.323 4.291 3.960 0.014 0.000 0.308 114 G HA3 0.323 4.291 3.960 0.014 0.000 0.308 114 G C 0.359 175.257 174.900 -0.005 0.000 1.418 114 G CA 0.486 45.585 45.100 -0.002 0.000 0.966 114 G HN 0.811 nan 8.290 nan 0.000 0.638 115 S N -0.388 115.311 115.700 -0.001 0.000 2.458 115 S HA 0.391 4.869 4.470 0.014 0.000 0.223 115 S C 1.517 176.118 174.600 0.001 0.000 1.019 115 S CA 1.046 59.245 58.200 -0.001 0.000 0.937 115 S CB 0.020 63.221 63.200 0.001 0.000 0.788 115 S HN 1.572 nan 8.310 nan 0.000 0.511 116 A N 2.436 125.258 122.820 0.003 0.000 2.450 116 A HA 0.545 4.873 4.320 0.014 0.000 0.255 116 A C 0.064 177.652 177.584 0.007 0.000 1.096 116 A CA -0.289 51.752 52.037 0.007 0.000 0.778 116 A CB -0.450 18.556 19.000 0.009 0.000 1.031 116 A HN 0.549 nan 8.150 nan 0.000 0.494 117 I N -0.705 119.872 120.570 0.012 0.000 2.730 117 I HA 0.898 5.077 4.170 0.014 0.000 0.298 117 I C 0.143 176.276 176.117 0.027 0.000 1.089 117 I CA -0.432 60.878 61.300 0.017 0.000 1.041 117 I CB 2.175 40.185 38.000 0.016 0.000 1.235 117 I HN 1.502 nan 8.210 nan 0.000 0.423 118 G N 3.412 112.237 108.800 0.041 0.000 3.055 118 G HA2 0.394 4.362 3.960 0.014 0.000 0.686 118 G HA3 0.394 4.362 3.960 0.014 0.000 0.686 118 G C 0.297 175.227 174.900 0.050 0.000 1.087 118 G CA -0.403 44.728 45.100 0.051 0.000 0.779 118 G HN 2.457 nan 8.290 nan 0.000 0.599 119 A N 0.425 123.285 122.820 0.066 0.000 2.872 119 A HA -0.164 4.164 4.320 0.014 0.000 0.273 119 A C 1.161 178.776 177.584 0.051 0.000 1.442 119 A CA 2.221 54.295 52.037 0.061 0.000 0.801 119 A CB -1.095 17.934 19.000 0.048 0.000 1.031 119 A HN 1.630 nan 8.150 nan 0.000 0.582 120 R N -1.107 119.421 120.500 0.047 0.000 2.438 120 R HA 0.306 4.655 4.340 0.014 0.000 0.287 120 R C -1.339 174.977 176.300 0.026 0.000 1.077 120 R CA -1.679 54.433 56.100 0.020 0.000 1.034 120 R CB -0.030 30.270 30.300 0.000 0.000 0.993 120 R HN 0.227 nan 8.270 nan 0.000 0.459 121 P HA -0.222 nan 4.420 nan 0.000 0.218 121 P C 1.252 178.585 177.300 0.054 0.000 1.154 121 P CA 1.455 64.567 63.100 0.019 0.000 0.872 121 P CB 0.110 31.785 31.700 -0.042 0.000 0.790 122 V N -3.712 116.172 119.914 -0.051 0.000 3.141 122 V HA -0.120 4.008 4.120 0.014 0.000 0.265 122 V C 1.495 177.597 176.094 0.013 0.000 1.126 122 V CA 1.670 63.908 62.300 -0.103 0.000 1.141 122 V CB -1.304 30.383 31.823 -0.227 0.000 0.743 122 V HN -0.027 nan 8.190 nan 0.000 0.492 123 D N 1.504 121.918 120.400 0.024 0.000 2.123 123 D HA -0.160 4.488 4.640 0.014 0.000 0.196 123 D C 2.107 178.458 176.300 0.084 0.000 0.992 123 D CA 1.864 55.857 54.000 -0.012 0.000 0.833 123 D CB -0.326 40.560 40.800 0.144 0.000 0.954 123 D HN 0.478 nan 8.370 nan 0.000 0.455 124 L N 0.293 121.633 121.223 0.194 0.000 2.131 124 L HA -0.164 4.184 4.340 0.014 0.000 0.210 124 L C 2.454 179.392 176.870 0.113 0.000 1.092 124 L CA 1.037 55.983 54.840 0.176 0.000 0.759 124 L CB -0.450 41.658 42.059 0.082 0.000 0.903 124 L HN 0.241 nan 8.230 nan 0.000 0.435 125 H N -0.314 118.762 119.070 0.010 0.000 2.326 125 H HA -0.115 4.449 4.556 0.014 0.000 0.301 125 H C 2.448 177.754 175.328 -0.037 0.000 1.081 125 H CA 1.511 57.562 56.048 0.004 0.000 1.334 125 H CB 0.108 29.857 29.762 -0.021 0.000 1.385 125 H HN 0.324 nan 8.280 nan 0.000 0.504 126 I N 0.483 121.050 120.570 -0.005 0.000 2.127 126 I HA -0.300 3.879 4.170 0.014 0.000 0.241 126 I C 2.146 178.165 176.117 -0.163 0.000 1.075 126 I CA 1.584 62.766 61.300 -0.197 0.000 1.334 126 I CB -0.413 37.280 38.000 -0.512 0.000 1.040 126 I HN 0.092 nan 8.210 nan 0.000 0.405 127 F N 0.416 120.401 119.950 0.058 0.000 2.293 127 F HA -0.068 4.467 4.527 0.014 0.000 0.300 127 F C 2.518 178.341 175.800 0.037 0.000 1.086 127 F CA 0.774 58.798 58.000 0.040 0.000 1.375 127 F CB -0.726 38.294 39.000 0.032 0.000 1.045 127 F HN 0.057 nan 8.300 nan 0.000 0.516 128 G N 0.385 109.295 108.800 0.184 0.000 2.402 128 G HA2 -0.163 3.805 3.960 0.014 0.000 0.216 128 G HA3 -0.163 3.805 3.960 0.014 0.000 0.216 128 G C 1.657 176.612 174.900 0.091 0.000 1.162 128 G CA 0.491 45.659 45.100 0.114 0.000 0.777 128 G HN 0.268 nan 8.290 nan 0.000 0.539 129 L N 0.065 121.337 121.223 0.082 0.000 2.093 129 L HA -0.011 4.337 4.340 0.014 0.000 0.208 129 L C 2.732 179.643 176.870 0.067 0.000 1.085 129 L CA 1.204 56.084 54.840 0.066 0.000 0.755 129 L CB -0.307 41.787 42.059 0.058 0.000 0.904 129 L HN 0.332 nan 8.230 nan 0.000 0.435 130 E N 0.327 120.579 120.200 0.086 0.000 2.110 130 E HA -0.227 4.131 4.350 0.014 0.000 0.193 130 E C 2.063 178.718 176.600 0.091 0.000 0.988 130 E CA 0.941 57.399 56.400 0.097 0.000 0.804 130 E CB 0.241 30.034 29.700 0.155 0.000 0.745 130 E HN 0.228 nan 8.360 nan 0.000 0.458 131 K N 0.375 120.835 120.400 0.100 0.000 2.147 131 K HA -0.094 4.234 4.320 0.014 0.000 0.205 131 K C 1.994 178.629 176.600 0.057 0.000 1.049 131 K CA 0.682 57.016 56.287 0.078 0.000 0.936 131 K CB -0.186 32.362 32.500 0.081 0.000 0.722 131 K HN 0.303 nan 8.250 nan 0.000 0.446 132 L N -0.195 121.059 121.223 0.052 0.000 2.610 132 L HA 0.020 4.368 4.340 0.014 0.000 0.232 132 L C 1.095 177.985 176.870 0.032 0.000 1.149 132 L CA 0.535 55.397 54.840 0.037 0.000 0.872 132 L CB -0.214 41.865 42.059 0.033 0.000 0.992 132 L HN 0.383 nan 8.230 nan 0.000 0.447 133 G N -0.529 108.294 108.800 0.038 0.000 2.179 133 G HA2 -0.218 3.751 3.960 0.014 0.000 0.220 133 G HA3 -0.218 3.751 3.960 0.014 0.000 0.220 133 G C 0.364 175.282 174.900 0.030 0.000 0.990 133 G CA -0.122 44.996 45.100 0.031 0.000 0.646 133 G HN 0.456 nan 8.290 nan 0.000 0.517 134 A N 0.122 122.963 122.820 0.035 0.000 2.371 134 A HA 0.627 4.955 4.320 0.014 0.000 0.257 134 A C 0.446 178.051 177.584 0.035 0.000 1.089 134 A CA 0.614 52.670 52.037 0.032 0.000 0.794 134 A CB 0.480 19.501 19.000 0.035 0.000 1.029 134 A HN 0.715 nan 8.150 nan 0.000 0.488 135 E N 1.722 121.940 120.200 0.030 0.000 2.229 135 E HA 0.384 4.743 4.350 0.014 0.000 0.283 135 E C -0.948 175.671 176.600 0.032 0.000 1.030 135 E CA -0.548 55.871 56.400 0.032 0.000 0.836 135 E CB 0.434 30.151 29.700 0.028 0.000 1.068 135 E HN 0.448 nan 8.360 nan 0.000 0.401 136 I N 4.653 125.242 120.570 0.031 0.000 2.377 136 I HA 0.278 4.457 4.170 0.014 0.000 0.293 136 I C 0.031 176.161 176.117 0.021 0.000 0.987 136 I CA -0.496 60.814 61.300 0.017 0.000 1.185 136 I CB 1.156 39.147 38.000 -0.015 0.000 1.341 136 I HN 0.569 nan 8.210 nan 0.000 0.455 137 K N 7.383 127.805 120.400 0.037 0.000 2.323 137 K HA 0.724 5.052 4.320 0.014 0.000 0.259 137 K C -1.779 174.821 176.600 0.000 0.000 0.947 137 K CA -0.543 55.769 56.287 0.042 0.000 0.819 137 K CB 1.560 34.119 32.500 0.098 0.000 1.109 137 K HN 0.548 nan 8.250 nan 0.000 0.429 138 L N 3.518 124.690 121.223 -0.084 0.000 2.385 138 L HA 0.525 4.873 4.340 0.014 0.000 0.273 138 L C -0.751 175.930 176.870 -0.315 0.000 0.990 138 L CA -0.706 54.006 54.840 -0.213 0.000 0.821 138 L CB 2.105 44.074 42.059 -0.151 0.000 1.279 138 L HN 0.686 nan 8.230 nan 0.000 0.412 139 E N 2.124 121.954 120.200 -0.615 0.000 2.308 139 E HA 0.241 4.600 4.350 0.014 0.000 0.275 139 E C -1.263 175.034 176.600 -0.505 0.000 0.890 139 E CA -0.999 55.084 56.400 -0.528 0.000 0.754 139 E CB 2.540 31.892 29.700 -0.580 0.000 1.207 139 E HN 0.393 nan 8.360 nan 0.000 0.426 140 E N 0.453 120.501 120.200 -0.252 0.000 2.829 140 E HA -0.087 4.272 4.350 0.014 0.000 0.264 140 E C 1.017 177.531 176.600 -0.142 0.000 0.922 140 E CA 1.810 58.113 56.400 -0.162 0.000 0.960 140 E CB 0.614 30.259 29.700 -0.092 0.000 0.918 140 E HN 0.923 nan 8.360 nan 0.000 0.497 141 G N 2.445 111.199 108.800 -0.077 0.000 2.234 141 G HA2 -0.297 3.671 3.960 0.014 0.000 0.235 141 G HA3 -0.297 3.671 3.960 0.014 0.000 0.235 141 G C -0.244 174.739 174.900 0.138 0.000 0.997 141 G CA 0.611 45.729 45.100 0.030 0.000 0.623 141 G HN 0.674 nan 8.290 nan 0.000 0.514 142 Y N -2.395 117.897 120.300 -0.013 0.000 2.713 142 Y HA 0.757 5.315 4.550 0.014 0.000 0.335 142 Y C -1.272 174.610 175.900 -0.030 0.000 1.222 142 Y CA -1.147 56.943 58.100 -0.015 0.000 1.061 142 Y CB 1.173 39.632 38.460 -0.001 0.000 1.314 142 Y HN 0.980 nan 8.280 nan 0.000 0.453 143 V N 2.262 122.353 119.914 0.295 0.000 2.709 143 V HA 0.675 4.803 4.120 0.014 0.000 0.308 143 V C -1.553 174.681 176.094 0.234 0.000 1.062 143 V CA -0.751 61.645 62.300 0.162 0.000 0.901 143 V CB 1.759 33.585 31.823 0.005 0.000 1.003 143 V HN 0.983 nan 8.190 nan 0.000 0.425 144 K N 5.107 125.630 120.400 0.204 0.000 2.324 144 K HA 0.887 5.215 4.320 0.014 0.000 0.253 144 K C -0.982 175.665 176.600 0.078 0.000 0.932 144 K CA -0.365 56.005 56.287 0.139 0.000 0.799 144 K CB 2.004 34.600 32.500 0.160 0.000 1.154 144 K HN 0.973 nan 8.250 nan 0.000 0.425 145 A N 2.197 125.052 122.820 0.058 0.000 2.355 145 A HA 0.680 5.008 4.320 0.014 0.000 0.317 145 A C -1.069 176.536 177.584 0.035 0.000 1.094 145 A CA -0.592 51.470 52.037 0.042 0.000 0.764 145 A CB 1.305 20.330 19.000 0.041 0.000 1.230 145 A HN 0.803 nan 8.150 nan 0.000 0.448 146 S N 0.265 115.981 115.700 0.026 0.000 2.607 146 S HA 0.854 5.333 4.470 0.014 0.000 0.273 146 S C -1.161 173.444 174.600 0.008 0.000 1.148 146 S CA -0.551 57.655 58.200 0.010 0.000 0.833 146 S CB 1.449 64.652 63.200 0.006 0.000 1.130 146 S HN 2.079 nan 8.310 nan 0.000 0.470 147 V N 0.635 120.546 119.914 -0.004 0.000 3.147 147 V HA 0.541 4.670 4.120 0.014 0.000 0.299 147 V C -2.003 174.084 176.094 -0.011 0.000 1.302 147 V CA -0.852 61.447 62.300 -0.002 0.000 1.015 147 V CB 2.241 34.064 31.823 0.000 0.000 1.086 147 V HN 1.086 nan 8.190 nan 0.000 0.437 148 N N 3.910 122.606 118.700 -0.007 0.000 2.422 148 N HA 0.705 5.454 4.740 0.014 0.000 0.266 148 N C 0.289 175.792 175.510 -0.011 0.000 1.007 148 N CA 0.406 53.450 53.050 -0.010 0.000 0.941 148 N CB 1.628 40.112 38.487 -0.004 0.000 1.115 148 N HN 1.372 nan 8.380 nan 0.000 0.492 149 G N 1.647 110.436 108.800 -0.017 0.000 2.498 149 G HA2 -0.275 3.694 3.960 0.014 0.000 0.245 149 G HA3 -0.275 3.694 3.960 0.014 0.000 0.245 149 G C -0.545 174.341 174.900 -0.024 0.000 1.204 149 G CA -0.586 44.502 45.100 -0.019 0.000 0.933 149 G HN 0.552 nan 8.290 nan 0.000 0.574 150 R N -0.690 119.797 120.500 -0.022 0.000 2.674 150 R HA 0.687 5.035 4.340 0.014 0.000 0.266 150 R C 0.737 177.028 176.300 -0.014 0.000 1.016 150 R CA -0.844 55.241 56.100 -0.024 0.000 1.062 150 R CB 0.889 31.173 30.300 -0.027 0.000 1.142 150 R HN 0.474 nan 8.270 nan 0.000 0.517 151 L N 1.178 122.394 121.223 -0.012 0.000 2.474 151 L HA 0.192 4.540 4.340 0.014 0.000 0.259 151 L C 0.408 177.278 176.870 -0.001 0.000 1.232 151 L CA 0.263 55.102 54.840 -0.001 0.000 0.821 151 L CB 0.221 42.282 42.059 0.003 0.000 1.108 151 L HN 0.420 nan 8.230 nan 0.000 0.495 152 K N 0.329 120.733 120.400 0.006 0.000 2.376 152 K HA 0.383 4.711 4.320 0.014 0.000 0.257 152 K C -0.238 176.369 176.600 0.011 0.000 0.939 152 K CA -0.634 55.657 56.287 0.007 0.000 0.809 152 K CB 1.625 34.131 32.500 0.010 0.000 1.121 152 K HN 0.681 nan 8.250 nan 0.000 0.425 153 G N 2.048 110.851 108.800 0.006 0.000 2.391 153 G HA2 0.355 4.323 3.960 0.014 0.000 0.234 153 G HA3 0.355 4.323 3.960 0.014 0.000 0.234 153 G C -0.649 174.263 174.900 0.020 0.000 1.284 153 G CA 0.042 45.146 45.100 0.007 0.000 0.873 153 G HN 0.710 nan 8.290 nan 0.000 0.549 154 A N 1.545 124.379 122.820 0.024 0.000 2.594 154 A HA 0.661 4.989 4.320 0.014 0.000 0.291 154 A C -0.996 176.626 177.584 0.063 0.000 1.105 154 A CA -0.776 51.292 52.037 0.051 0.000 0.694 154 A CB 1.203 20.235 19.000 0.053 0.000 1.291 154 A HN 0.976 nan 8.150 nan 0.000 0.410 155 H N 0.333 119.407 119.070 0.007 0.000 2.652 155 H HA 0.647 5.211 4.556 0.014 0.000 0.298 155 H C -0.939 174.394 175.328 0.008 0.000 1.076 155 H CA -0.039 56.012 56.048 0.005 0.000 1.360 155 H CB 0.251 30.015 29.762 0.003 0.000 1.421 155 H HN 0.455 nan 8.280 nan 0.000 0.464 156 I N 6.294 126.899 120.570 0.057 0.000 2.389 156 I HA 0.170 4.348 4.170 0.014 0.000 0.288 156 I C -0.712 175.454 176.117 0.083 0.000 0.999 156 I CA -0.941 60.407 61.300 0.080 0.000 1.129 156 I CB 1.822 39.839 38.000 0.029 0.000 1.288 156 I HN 0.351 nan 8.210 nan 0.000 0.444 157 V N 6.945 126.928 119.914 0.114 0.000 2.333 157 V HA 0.324 4.453 4.120 0.014 0.000 0.274 157 V C 0.397 176.520 176.094 0.049 0.000 1.028 157 V CA -0.568 61.784 62.300 0.087 0.000 0.851 157 V CB 1.168 33.044 31.823 0.089 0.000 1.000 157 V HN 0.591 nan 8.190 nan 0.000 0.456 158 M N 4.661 124.283 119.600 0.036 0.000 2.162 158 M HA 0.200 4.688 4.480 0.014 0.000 0.356 158 M C 1.231 177.547 176.300 0.026 0.000 1.303 158 M CA -0.104 55.214 55.300 0.030 0.000 1.116 158 M CB 0.720 33.334 32.600 0.023 0.000 1.632 158 M HN 0.794 nan 8.290 nan 0.000 0.469 159 D N 1.626 122.040 120.400 0.024 0.000 2.347 159 D HA -0.035 4.613 4.640 0.014 0.000 0.215 159 D C -0.200 176.111 176.300 0.019 0.000 0.976 159 D CA 0.859 54.869 54.000 0.016 0.000 0.884 159 D CB 0.650 41.454 40.800 0.006 0.000 0.915 159 D HN 0.243 nan 8.370 nan 0.000 0.526 160 K N 0.437 120.853 120.400 0.027 0.000 2.502 160 K HA 0.348 4.676 4.320 0.014 0.000 0.257 160 K C -1.053 175.568 176.600 0.033 0.000 0.938 160 K CA -1.005 55.300 56.287 0.030 0.000 0.819 160 K CB 2.945 35.468 32.500 0.039 0.000 1.333 160 K HN -0.174 nan 8.250 nan 0.000 0.434 161 V N 1.693 121.629 119.914 0.036 0.000 2.470 161 V HA 0.224 4.353 4.120 0.014 0.000 0.276 161 V C 0.351 176.478 176.094 0.055 0.000 1.040 161 V CA -0.104 62.221 62.300 0.042 0.000 1.008 161 V CB 0.983 32.833 31.823 0.046 0.000 0.990 161 V HN 0.706 nan 8.190 nan 0.000 0.477 162 S N 4.097 119.824 115.700 0.044 0.000 2.707 162 S HA 0.391 4.869 4.470 0.014 0.000 0.303 162 S C 0.561 175.196 174.600 0.058 0.000 1.132 162 S CA -0.607 57.623 58.200 0.049 0.000 1.046 162 S CB 1.825 65.035 63.200 0.017 0.000 1.004 162 S HN 0.351 nan 8.310 nan 0.000 0.483 163 V N 5.472 125.443 119.914 0.095 0.000 2.295 163 V HA -0.034 4.095 4.120 0.014 0.000 0.246 163 V C 2.642 178.871 176.094 0.225 0.000 1.049 163 V CA 2.611 64.990 62.300 0.133 0.000 1.024 163 V CB -1.170 30.741 31.823 0.147 0.000 0.648 163 V HN 0.955 nan 8.190 nan 0.000 0.447 164 G N -0.426 108.525 108.800 0.252 0.000 2.459 164 G HA2 -0.244 3.725 3.960 0.014 0.000 0.217 164 G HA3 -0.244 3.725 3.960 0.014 0.000 0.217 164 G C 1.734 176.710 174.900 0.126 0.000 1.183 164 G CA 1.106 46.445 45.100 0.399 0.000 0.776 164 G HN 0.622 nan 8.290 nan 0.000 0.552 165 A N -0.128 122.500 122.820 -0.320 0.000 1.968 165 A HA 0.080 4.409 4.320 0.014 0.000 0.217 165 A C 2.505 180.009 177.584 -0.134 0.000 1.169 165 A CA 2.246 53.978 52.037 -0.508 0.000 0.638 165 A CB -0.719 18.066 19.000 -0.360 0.000 0.812 165 A HN 0.297 nan 8.150 nan 0.000 0.446 166 T N -0.234 114.300 114.554 -0.033 0.000 2.708 166 T HA -0.134 4.224 4.350 0.014 0.000 0.266 166 T C 1.891 176.588 174.700 -0.005 0.000 1.037 166 T CA 1.638 63.733 62.100 -0.009 0.000 1.146 166 T CB -0.441 68.431 68.868 0.007 0.000 0.865 166 T HN 0.146 nan 8.240 nan 0.000 0.435 167 V N 1.434 121.362 119.914 0.024 0.000 2.287 167 V HA -0.223 3.905 4.120 0.014 0.000 0.248 167 V C 2.802 178.879 176.094 -0.028 0.000 1.053 167 V CA 2.150 64.399 62.300 -0.085 0.000 1.027 167 V CB -1.121 30.497 31.823 -0.342 0.000 0.646 167 V HN 0.534 nan 8.190 nan 0.000 0.447 168 T N 0.157 114.792 114.554 0.136 0.000 2.652 168 T HA -0.150 4.208 4.350 0.014 0.000 0.267 168 T C 1.784 176.531 174.700 0.078 0.000 1.039 168 T CA 1.997 64.207 62.100 0.183 0.000 1.153 168 T CB -0.281 68.774 68.868 0.310 0.000 0.863 168 T HN 0.348 nan 8.240 nan 0.000 0.428 169 I N 0.681 121.271 120.570 0.034 0.000 2.202 169 I HA -0.162 4.017 4.170 0.014 0.000 0.242 169 I C 2.587 178.706 176.117 0.003 0.000 1.091 169 I CA 1.273 62.584 61.300 0.019 0.000 1.368 169 I CB -0.391 37.611 38.000 0.004 0.000 1.058 169 I HN 0.269 nan 8.210 nan 0.000 0.410 170 M N 0.457 120.049 119.600 -0.012 0.000 2.086 170 M HA -0.216 4.272 4.480 0.014 0.000 0.261 170 M C 2.450 178.736 176.300 -0.024 0.000 1.067 170 M CA 1.967 57.251 55.300 -0.026 0.000 1.116 170 M CB -0.026 32.550 32.600 -0.039 0.000 1.348 170 M HN 0.098 nan 8.290 nan 0.000 0.407 171 S N 0.835 116.522 115.700 -0.021 0.000 2.368 171 S HA -0.078 4.400 4.470 0.014 0.000 0.225 171 S C 2.039 176.643 174.600 0.006 0.000 1.030 171 S CA 1.328 59.522 58.200 -0.010 0.000 0.999 171 S CB -0.579 62.619 63.200 -0.004 0.000 0.844 171 S HN 0.697 nan 8.310 nan 0.000 0.459 172 A N 1.528 124.361 122.820 0.022 0.000 1.930 172 A HA 0.183 4.512 4.320 0.014 0.000 0.217 172 A C 2.323 179.909 177.584 0.004 0.000 1.175 172 A CA 1.534 53.585 52.037 0.024 0.000 0.627 172 A CB -1.005 18.020 19.000 0.042 0.000 0.815 172 A HN 0.512 nan 8.150 nan 0.000 0.443 173 A N -0.022 122.797 122.820 -0.003 0.000 2.070 173 A HA -0.083 4.245 4.320 0.014 0.000 0.220 173 A C 2.297 179.867 177.584 -0.024 0.000 1.159 173 A CA 2.241 54.271 52.037 -0.013 0.000 0.656 173 A CB -1.359 17.631 19.000 -0.017 0.000 0.800 173 A HN 0.799 nan 8.150 nan 0.000 0.453 174 T N -3.190 111.346 114.554 -0.031 0.000 2.929 174 T HA -0.033 4.325 4.350 0.014 0.000 0.271 174 T C 1.130 175.802 174.700 -0.046 0.000 1.085 174 T CA 1.362 63.435 62.100 -0.044 0.000 1.125 174 T CB -0.163 68.671 68.868 -0.058 0.000 0.874 174 T HN 0.117 nan 8.240 nan 0.000 0.494 175 L N 0.439 121.637 121.223 -0.041 0.000 2.693 175 L HA 0.627 4.975 4.340 0.014 0.000 0.235 175 L C 1.238 178.085 176.870 -0.038 0.000 1.127 175 L CA -0.676 54.136 54.840 -0.048 0.000 0.914 175 L CB -0.508 41.515 42.059 -0.060 0.000 1.193 175 L HN 0.400 nan 8.230 nan 0.000 0.502 176 A N -0.398 122.406 122.820 -0.027 0.000 2.296 176 A HA 0.289 4.617 4.320 0.014 0.000 0.264 176 A C 0.304 177.876 177.584 -0.020 0.000 1.097 176 A CA -0.318 51.708 52.037 -0.019 0.000 0.811 176 A CB 0.172 19.166 19.000 -0.010 0.000 1.072 176 A HN 0.248 nan 8.150 nan 0.000 0.495 177 E N -0.069 120.122 120.200 -0.014 0.000 2.130 177 E HA 0.466 4.824 4.350 0.014 0.000 0.284 177 E C 0.532 177.127 176.600 -0.008 0.000 1.018 177 E CA 0.686 57.078 56.400 -0.013 0.000 0.817 177 E CB 0.217 29.910 29.700 -0.011 0.000 1.078 177 E HN 1.443 nan 8.360 nan 0.000 0.396 178 G N 2.908 111.702 108.800 -0.010 0.000 2.500 178 G HA2 -0.187 3.781 3.960 0.014 0.000 0.209 178 G HA3 -0.187 3.781 3.960 0.014 0.000 0.209 178 G C -0.570 174.325 174.900 -0.009 0.000 1.283 178 G CA -0.447 44.649 45.100 -0.006 0.000 0.960 178 G HN 0.534 nan 8.290 nan 0.000 0.528 179 T N 1.106 115.657 114.554 -0.004 0.000 2.829 179 T HA 0.676 5.034 4.350 0.014 0.000 0.282 179 T C 0.007 174.700 174.700 -0.012 0.000 0.990 179 T CA 0.263 62.358 62.100 -0.010 0.000 1.028 179 T CB 1.546 70.412 68.868 -0.005 0.000 0.951 179 T HN 0.733 nan 8.240 nan 0.000 0.460 180 T N 4.185 118.722 114.554 -0.029 0.000 2.807 180 T HA 0.556 4.915 4.350 0.014 0.000 0.279 180 T C -0.500 174.147 174.700 -0.087 0.000 0.993 180 T CA -0.634 61.441 62.100 -0.042 0.000 0.970 180 T CB 0.619 69.468 68.868 -0.032 0.000 0.950 180 T HN 0.305 nan 8.240 nan 0.000 0.441 181 I N 3.916 124.388 120.570 -0.163 0.000 2.433 181 I HA 0.469 4.647 4.170 0.014 0.000 0.292 181 I C -0.276 175.688 176.117 -0.255 0.000 1.001 181 I CA -0.937 60.200 61.300 -0.272 0.000 1.119 181 I CB 1.669 39.322 38.000 -0.578 0.000 1.289 181 I HN 0.614 nan 8.210 nan 0.000 0.438 182 I N 5.662 126.136 120.570 -0.161 0.000 2.359 182 I HA 0.278 4.456 4.170 0.014 0.000 0.284 182 I C 0.277 176.343 176.117 -0.084 0.000 1.018 182 I CA -0.492 60.748 61.300 -0.100 0.000 1.173 182 I CB 1.065 39.032 38.000 -0.054 0.000 1.326 182 I HN 0.457 nan 8.210 nan 0.000 0.462 183 E N 6.196 126.357 120.200 -0.064 0.000 2.266 183 E HA 0.281 4.639 4.350 0.014 0.000 0.277 183 E C -0.277 176.326 176.600 0.005 0.000 1.018 183 E CA -0.537 55.853 56.400 -0.016 0.000 0.840 183 E CB 0.822 30.544 29.700 0.035 0.000 1.082 183 E HN 0.487 nan 8.360 nan 0.000 0.395 184 N N 0.056 118.761 118.700 0.009 0.000 2.780 184 N HA -0.171 4.577 4.740 0.014 0.000 0.248 184 N C -0.749 174.768 175.510 0.013 0.000 1.102 184 N CA 0.841 53.900 53.050 0.015 0.000 0.697 184 N CB -1.458 37.041 38.487 0.019 0.000 1.028 184 N HN 0.602 nan 8.380 nan 0.000 0.554 185 A N -0.093 122.730 122.820 0.005 0.000 2.445 185 A HA 0.614 4.943 4.320 0.014 0.000 0.242 185 A C 1.022 178.617 177.584 0.019 0.000 1.075 185 A CA 0.361 52.401 52.037 0.005 0.000 0.777 185 A CB 0.418 19.414 19.000 -0.006 0.000 1.013 185 A HN 0.578 nan 8.150 nan 0.000 0.493 186 A N 1.715 124.549 122.820 0.024 0.000 2.498 186 A HA 0.367 4.696 4.320 0.014 0.000 0.239 186 A C 1.060 178.663 177.584 0.032 0.000 1.068 186 A CA -0.098 51.961 52.037 0.038 0.000 0.766 186 A CB 0.036 19.062 19.000 0.044 0.000 1.003 186 A HN 0.866 nan 8.150 nan 0.000 0.497 187 R N 0.533 121.064 120.500 0.052 0.000 2.362 187 R HA 0.064 4.413 4.340 0.014 0.000 0.227 187 R C -0.414 175.910 176.300 0.039 0.000 0.905 187 R CA -0.126 56.015 56.100 0.068 0.000 1.067 187 R CB 0.177 30.548 30.300 0.118 0.000 1.078 187 R HN 0.806 nan 8.270 nan 0.000 0.516 188 E N 1.125 121.306 120.200 -0.032 0.000 2.467 188 E HA -0.072 4.286 4.350 0.014 0.000 0.264 188 E C -1.732 174.725 176.600 -0.238 0.000 1.020 188 E CA -0.875 55.394 56.400 -0.218 0.000 0.945 188 E CB 0.382 30.003 29.700 -0.131 0.000 0.942 188 E HN -0.126 nan 8.360 nan 0.000 0.449 189 P HA -0.172 nan 4.420 nan 0.000 0.217 189 P C 0.279 177.511 177.300 -0.113 0.000 1.148 189 P CA 1.234 64.207 63.100 -0.211 0.000 0.828 189 P CB 0.278 31.842 31.700 -0.228 0.000 0.783 190 E N -1.259 118.874 120.200 -0.112 0.000 2.208 190 E HA -0.103 4.256 4.350 0.014 0.000 0.193 190 E C 1.853 178.408 176.600 -0.076 0.000 0.988 190 E CA 0.718 57.073 56.400 -0.076 0.000 0.828 190 E CB -0.701 28.963 29.700 -0.061 0.000 0.763 190 E HN 0.193 nan 8.360 nan 0.000 0.478 191 I N 0.091 120.620 120.570 -0.069 0.000 2.286 191 I HA -0.165 4.014 4.170 0.014 0.000 0.245 191 I C 2.070 178.158 176.117 -0.048 0.000 1.104 191 I CA 0.831 62.095 61.300 -0.060 0.000 1.397 191 I CB -0.878 37.100 38.000 -0.036 0.000 1.072 191 I HN 0.015 nan 8.210 nan 0.000 0.417 192 V N 1.001 120.893 119.914 -0.036 0.000 2.343 192 V HA -0.283 3.845 4.120 0.014 0.000 0.247 192 V C 2.285 178.384 176.094 0.007 0.000 1.051 192 V CA 2.111 64.404 62.300 -0.011 0.000 1.036 192 V CB -0.640 31.181 31.823 -0.002 0.000 0.654 192 V HN 0.315 nan 8.190 nan 0.000 0.451 193 D N -0.233 120.174 120.400 0.011 0.000 2.117 193 D HA -0.142 4.506 4.640 0.014 0.000 0.198 193 D C 2.241 178.541 176.300 0.001 0.000 0.982 193 D CA 1.742 55.783 54.000 0.069 0.000 0.828 193 D CB -0.102 40.738 40.800 0.067 0.000 0.967 193 D HN 0.394 nan 8.370 nan 0.000 0.464 194 T N -0.319 114.199 114.554 -0.060 0.000 2.746 194 T HA -0.117 4.241 4.350 0.014 0.000 0.267 194 T C 1.932 176.603 174.700 -0.049 0.000 1.039 194 T CA 1.481 63.528 62.100 -0.090 0.000 1.142 194 T CB -0.484 68.294 68.868 -0.151 0.000 0.866 194 T HN 0.230 nan 8.240 nan 0.000 0.444 195 A N 2.487 125.276 122.820 -0.052 0.000 1.877 195 A HA -0.168 4.160 4.320 0.014 0.000 0.216 195 A C 2.257 179.801 177.584 -0.067 0.000 1.186 195 A CA 1.588 53.593 52.037 -0.053 0.000 0.620 195 A CB -0.684 18.293 19.000 -0.038 0.000 0.822 195 A HN 0.381 nan 8.150 nan 0.000 0.443 196 N N -0.912 117.765 118.700 -0.037 0.000 2.166 196 N HA -0.146 4.602 4.740 0.014 0.000 0.186 196 N C 1.389 176.780 175.510 -0.199 0.000 1.019 196 N CA 1.511 54.554 53.050 -0.012 0.000 0.856 196 N CB -0.639 37.941 38.487 0.156 0.000 0.993 196 N HN 0.556 nan 8.380 nan 0.000 0.426 197 F N 1.739 121.274 119.950 -0.691 0.000 2.075 197 F HA -0.075 4.461 4.527 0.015 0.000 0.297 197 F C 2.030 177.562 175.800 -0.446 0.000 1.113 197 F CA 1.116 58.477 58.000 -1.065 0.000 1.218 197 F CB -0.569 37.856 39.000 -0.959 0.000 0.984 197 F HN -0.075 nan 8.300 nan 0.000 0.472 198 L N -0.426 120.562 121.223 -0.393 0.000 2.042 198 L HA -0.258 4.091 4.340 0.014 0.000 0.210 198 L C 2.435 179.111 176.870 -0.322 0.000 1.076 198 L CA 1.266 55.875 54.840 -0.385 0.000 0.749 198 L CB -1.000 40.960 42.059 -0.165 0.000 0.893 198 L HN 0.052 nan 8.230 nan 0.000 0.432 199 V N 0.007 119.790 119.914 -0.218 0.000 2.343 199 V HA -0.309 3.820 4.120 0.014 0.000 0.247 199 V C 2.753 178.753 176.094 -0.157 0.000 1.051 199 V CA 1.770 63.983 62.300 -0.144 0.000 1.036 199 V CB -0.869 30.908 31.823 -0.077 0.000 0.654 199 V HN 0.505 nan 8.190 nan 0.000 0.451 200 A N -0.236 122.469 122.820 -0.192 0.000 1.940 200 A HA -0.164 4.164 4.320 0.014 0.000 0.219 200 A C 2.092 179.555 177.584 -0.202 0.000 1.176 200 A CA 1.717 53.675 52.037 -0.131 0.000 0.631 200 A CB -0.523 18.454 19.000 -0.040 0.000 0.814 200 A HN 0.551 nan 8.150 nan 0.000 0.446 201 L N -1.837 119.170 121.223 -0.359 0.000 2.552 201 L HA 0.158 4.506 4.340 0.014 0.000 0.227 201 L C 1.693 178.450 176.870 -0.187 0.000 1.146 201 L CA 0.640 55.296 54.840 -0.307 0.000 0.858 201 L CB -0.213 41.583 42.059 -0.438 0.000 0.969 201 L HN 0.616 nan 8.230 nan 0.000 0.451 202 G N -0.784 107.920 108.800 -0.158 0.000 2.205 202 G HA2 -0.140 3.829 3.960 0.014 0.000 0.180 202 G HA3 -0.140 3.829 3.960 0.014 0.000 0.180 202 G C 0.334 175.173 174.900 -0.101 0.000 1.004 202 G CA -0.195 44.840 45.100 -0.107 0.000 0.670 202 G HN 0.400 nan 8.290 nan 0.000 0.496 203 A N 0.162 122.906 122.820 -0.126 0.000 2.366 203 A HA 0.677 5.006 4.320 0.014 0.000 0.249 203 A C 0.393 177.930 177.584 -0.078 0.000 1.084 203 A CA 0.305 52.281 52.037 -0.102 0.000 0.794 203 A CB 0.375 19.304 19.000 -0.118 0.000 1.034 203 A HN 0.335 nan 8.150 nan 0.000 0.491 204 K N 1.062 121.425 120.400 -0.061 0.000 2.404 204 K HA 0.584 4.912 4.320 0.014 0.000 0.257 204 K C -1.459 175.115 176.600 -0.044 0.000 1.026 204 K CA 0.321 56.580 56.287 -0.047 0.000 0.951 204 K CB 0.969 33.446 32.500 -0.038 0.000 1.203 204 K HN 0.575 nan 8.250 nan 0.000 0.446 205 I N 1.536 122.080 120.570 -0.043 0.000 2.619 205 I HA 0.281 4.459 4.170 0.014 0.000 0.292 205 I C -0.415 175.684 176.117 -0.029 0.000 1.100 205 I CA -0.675 60.602 61.300 -0.039 0.000 1.043 205 I CB 2.354 40.327 38.000 -0.046 0.000 1.239 205 I HN 0.553 nan 8.210 nan 0.000 0.420 206 S N 2.370 118.054 115.700 -0.026 0.000 2.588 206 S HA 0.843 5.321 4.470 0.014 0.000 0.275 206 S C 0.267 174.857 174.600 -0.018 0.000 1.130 206 S CA -0.007 58.182 58.200 -0.019 0.000 0.855 206 S CB 2.065 65.255 63.200 -0.016 0.000 1.116 206 S HN 1.357 nan 8.310 nan 0.000 0.472 207 G N 0.747 109.540 108.800 -0.011 0.000 2.175 207 G HA2 -0.237 3.731 3.960 0.014 0.000 0.244 207 G HA3 -0.237 3.731 3.960 0.014 0.000 0.244 207 G C 0.111 175.007 174.900 -0.006 0.000 0.982 207 G CA 0.126 45.220 45.100 -0.009 0.000 0.641 207 G HN 1.272 nan 8.290 nan 0.000 0.527 208 Q N 0.374 120.170 119.800 -0.007 0.000 2.286 208 Q HA 0.394 4.742 4.340 0.014 0.000 0.290 208 Q C 1.177 177.182 176.000 0.008 0.000 1.049 208 Q CA 1.052 56.852 55.803 -0.005 0.000 0.923 208 Q CB 0.927 29.659 28.738 -0.010 0.000 1.183 208 Q HN 1.825 nan 8.270 nan 0.000 0.383 209 G N 2.260 111.069 108.800 0.016 0.000 2.213 209 G HA2 -0.294 3.675 3.960 0.014 0.000 0.236 209 G HA3 -0.294 3.675 3.960 0.014 0.000 0.236 209 G C 0.271 175.198 174.900 0.044 0.000 0.991 209 G CA 0.344 45.468 45.100 0.040 0.000 0.629 209 G HN 1.142 nan 8.290 nan 0.000 0.517 210 T N -2.620 111.949 114.554 0.025 0.000 2.922 210 T HA 0.601 4.960 4.350 0.014 0.000 0.281 210 T C 0.651 175.362 174.700 0.017 0.000 1.005 210 T CA 0.383 62.495 62.100 0.021 0.000 0.982 210 T CB 1.641 70.516 68.868 0.011 0.000 1.158 210 T HN -0.135 nan 8.240 nan 0.000 0.566 211 D N -0.113 120.295 120.400 0.014 0.000 2.371 211 D HA 0.039 4.687 4.640 0.014 0.000 0.221 211 D C 0.704 177.005 176.300 0.002 0.000 0.986 211 D CA 0.708 54.715 54.000 0.012 0.000 0.899 211 D CB 0.196 41.004 40.800 0.013 0.000 0.902 211 D HN 0.450 nan 8.370 nan 0.000 0.530 212 R N 0.803 121.300 120.500 -0.006 0.000 2.514 212 R HA 0.422 4.771 4.340 0.014 0.000 0.296 212 R C -1.358 174.924 176.300 -0.029 0.000 1.012 212 R CA -0.438 55.649 56.100 -0.023 0.000 0.897 212 R CB 1.034 31.321 30.300 -0.022 0.000 1.184 212 R HN -0.164 nan 8.270 nan 0.000 0.440 213 I N 3.248 123.793 120.570 -0.042 0.000 2.377 213 I HA 0.311 4.489 4.170 0.014 0.000 0.293 213 I C -0.280 175.801 176.117 -0.059 0.000 0.987 213 I CA -0.737 60.538 61.300 -0.041 0.000 1.185 213 I CB 2.377 40.356 38.000 -0.036 0.000 1.341 213 I HN 0.548 nan 8.210 nan 0.000 0.455 214 T N 6.990 121.514 114.554 -0.050 0.000 2.786 214 T HA 0.629 4.987 4.350 0.014 0.000 0.283 214 T C -0.386 174.288 174.700 -0.044 0.000 0.992 214 T CA -0.307 61.760 62.100 -0.054 0.000 0.954 214 T CB 1.069 69.912 68.868 -0.042 0.000 0.934 214 T HN 0.187 nan 8.240 nan 0.000 0.440 215 I N 2.490 123.033 120.570 -0.045 0.000 2.474 215 I HA 0.415 4.593 4.170 0.014 0.000 0.294 215 I C 0.131 176.227 176.117 -0.034 0.000 1.005 215 I CA -0.653 60.623 61.300 -0.040 0.000 1.113 215 I CB 2.054 40.030 38.000 -0.040 0.000 1.289 215 I HN 0.546 nan 8.210 nan 0.000 0.436 216 E N 4.318 124.498 120.200 -0.033 0.000 2.145 216 E HA 0.551 4.910 4.350 0.014 0.000 0.262 216 E C -0.056 176.525 176.600 -0.031 0.000 0.883 216 E CA -0.709 55.675 56.400 -0.028 0.000 0.748 216 E CB 1.211 30.896 29.700 -0.024 0.000 1.140 216 E HN 0.816 nan 8.360 nan 0.000 0.417 217 G N 2.468 111.251 108.800 -0.028 0.000 2.484 217 G HA2 0.321 4.290 3.960 0.014 0.000 0.235 217 G HA3 0.321 4.290 3.960 0.014 0.000 0.235 217 G C 0.070 174.949 174.900 -0.035 0.000 1.282 217 G CA 0.090 45.170 45.100 -0.032 0.000 0.857 217 G HN 0.474 nan 8.290 nan 0.000 0.571 218 V N -0.824 119.065 119.914 -0.042 0.000 3.113 218 V HA 0.566 4.694 4.120 0.014 0.000 0.316 218 V C 0.832 176.898 176.094 -0.046 0.000 1.125 218 V CA -0.770 61.504 62.300 -0.043 0.000 1.026 218 V CB 2.049 33.842 31.823 -0.050 0.000 1.080 218 V HN 0.721 nan 8.190 nan 0.000 0.444 219 E N 1.080 121.253 120.200 -0.044 0.000 2.107 219 E HA -0.021 4.337 4.350 0.014 0.000 0.191 219 E C 0.332 176.896 176.600 -0.060 0.000 0.982 219 E CA 1.420 57.792 56.400 -0.047 0.000 0.809 219 E CB 0.198 29.874 29.700 -0.040 0.000 0.756 219 E HN 0.807 nan 8.360 nan 0.000 0.459 220 R N -0.989 119.475 120.500 -0.061 0.000 2.716 220 R HA 0.489 4.837 4.340 0.014 0.000 0.271 220 R C -1.445 174.812 176.300 -0.073 0.000 1.028 220 R CA -0.610 55.447 56.100 -0.071 0.000 0.883 220 R CB 0.596 30.856 30.300 -0.066 0.000 1.250 220 R HN -0.170 nan 8.270 nan 0.000 0.465 221 L N 1.087 122.262 121.223 -0.081 0.000 2.334 221 L HA 0.755 5.103 4.340 0.014 0.000 0.276 221 L C 0.680 177.504 176.870 -0.077 0.000 1.014 221 L CA -0.701 54.083 54.840 -0.094 0.000 0.815 221 L CB 2.104 44.092 42.059 -0.118 0.000 1.268 221 L HN 0.989 nan 8.230 nan 0.000 0.428 222 G N 0.905 109.658 108.800 -0.080 0.000 3.137 222 G HA2 0.640 4.608 3.960 0.014 0.000 0.163 222 G HA3 0.640 4.608 3.960 0.014 0.000 0.163 222 G C -0.020 174.851 174.900 -0.048 0.000 1.602 222 G CA 0.314 45.383 45.100 -0.052 0.000 1.067 222 G HN 0.756 nan 8.290 nan 0.000 0.568 223 G N -3.098 105.684 108.800 -0.030 0.000 3.166 223 G HA2 0.724 4.693 3.960 0.014 0.000 0.267 223 G HA3 0.724 4.693 3.960 0.014 0.000 0.267 223 G C -0.178 174.721 174.900 -0.001 0.000 1.256 223 G CA 0.114 45.212 45.100 -0.003 0.000 0.859 223 G HN 1.909 nan 8.290 nan 0.000 0.590 224 G N -2.566 106.262 108.800 0.046 0.000 2.302 224 G HA2 0.471 4.440 3.960 0.014 0.000 0.264 224 G HA3 0.471 4.440 3.960 0.014 0.000 0.264 224 G C -1.809 173.151 174.900 0.101 0.000 1.335 224 G CA 0.162 45.298 45.100 0.060 0.000 0.982 224 G HN 1.444 nan 8.290 nan 0.000 0.473 225 V N 0.292 120.271 119.914 0.108 0.000 2.656 225 V HA 0.788 4.916 4.120 0.014 0.000 0.307 225 V C -1.098 175.106 176.094 0.182 0.000 1.051 225 V CA -0.575 61.789 62.300 0.106 0.000 0.893 225 V CB 1.691 33.545 31.823 0.052 0.000 0.999 225 V HN 1.095 nan 8.190 nan 0.000 0.426 226 Y N 3.505 123.840 120.300 0.059 0.000 2.479 226 Y HA 0.609 5.167 4.550 0.014 0.000 0.338 226 Y C -0.428 175.474 175.900 0.004 0.000 1.055 226 Y CA -0.816 57.339 58.100 0.091 0.000 1.023 226 Y CB 1.744 40.391 38.460 0.312 0.000 1.287 226 Y HN 0.627 nan 8.280 nan 0.000 0.447 227 R N 5.137 125.285 120.500 -0.586 0.000 2.295 227 R HA 0.606 4.954 4.340 0.014 0.000 0.324 227 R C -1.386 174.720 176.300 -0.324 0.000 0.968 227 R CA -0.620 55.270 56.100 -0.351 0.000 0.837 227 R CB 0.989 31.115 30.300 -0.290 0.000 1.133 227 R HN 0.624 nan 8.270 nan 0.000 0.450 228 V N 6.491 126.349 119.914 -0.094 0.000 2.694 228 V HA -0.045 4.084 4.120 0.014 0.000 0.306 228 V C 0.988 177.056 176.094 -0.043 0.000 1.054 228 V CA 0.046 62.340 62.300 -0.011 0.000 1.161 228 V CB 0.360 32.153 31.823 -0.049 0.000 0.916 228 V HN 0.690 nan 8.190 nan 0.000 0.490 229 L N 5.849 127.070 121.223 -0.003 0.000 2.473 229 L HA 0.475 4.824 4.340 0.014 0.000 0.268 229 L C -2.353 174.500 176.870 -0.028 0.000 1.215 229 L CA -1.424 53.403 54.840 -0.023 0.000 0.823 229 L CB 0.072 42.129 42.059 -0.004 0.000 1.099 229 L HN 0.359 nan 8.230 nan 0.000 0.483 230 P HA 0.017 nan 4.420 nan 0.000 0.269 230 P C -1.210 176.080 177.300 -0.017 0.000 1.215 230 P CA -0.059 63.033 63.100 -0.014 0.000 0.780 230 P CB 0.374 32.074 31.700 -0.000 0.000 0.898 231 D N 2.360 122.752 120.400 -0.013 0.000 2.348 231 D HA -0.016 4.632 4.640 0.014 0.000 0.259 231 D C 1.329 177.621 176.300 -0.014 0.000 1.296 231 D CA -0.042 53.939 54.000 -0.031 0.000 0.931 231 D CB 0.436 41.208 40.800 -0.047 0.000 1.067 231 D HN 0.323 nan 8.370 nan 0.000 0.503 232 R N 3.871 124.355 120.500 -0.027 0.000 2.115 232 R HA -0.101 4.248 4.340 0.014 0.000 0.230 232 R C 1.340 177.632 176.300 -0.012 0.000 1.111 232 R CA 0.529 56.621 56.100 -0.013 0.000 0.976 232 R CB -0.137 30.145 30.300 -0.030 0.000 0.870 232 R HN 0.336 nan 8.270 nan 0.000 0.445 233 I N 1.836 122.379 120.570 -0.045 0.000 2.406 233 I HA -0.120 4.058 4.170 0.014 0.000 0.249 233 I C 2.542 178.650 176.117 -0.015 0.000 1.122 233 I CA 1.165 62.439 61.300 -0.044 0.000 1.431 233 I CB -1.197 36.752 38.000 -0.086 0.000 1.087 233 I HN 0.359 nan 8.210 nan 0.000 0.424 234 E N 1.074 121.245 120.200 -0.048 0.000 2.110 234 E HA -0.205 4.154 4.350 0.014 0.000 0.193 234 E C 1.994 178.713 176.600 0.199 0.000 0.988 234 E CA 1.963 58.400 56.400 0.063 0.000 0.804 234 E CB 0.160 29.912 29.700 0.086 0.000 0.745 234 E HN 0.384 nan 8.360 nan 0.000 0.458 235 T N -0.158 114.494 114.554 0.165 0.000 2.684 235 T HA -0.141 4.218 4.350 0.014 0.000 0.267 235 T C 1.737 176.539 174.700 0.171 0.000 1.036 235 T CA 1.369 63.586 62.100 0.196 0.000 1.148 235 T CB -0.669 68.268 68.868 0.115 0.000 0.863 235 T HN 0.425 nan 8.240 nan 0.000 0.436 236 G N 0.786 109.652 108.800 0.111 0.000 2.432 236 G HA2 -0.198 3.770 3.960 0.014 0.000 0.219 236 G HA3 -0.198 3.770 3.960 0.014 0.000 0.219 236 G C 1.699 176.655 174.900 0.094 0.000 1.135 236 G CA 1.379 46.553 45.100 0.124 0.000 0.767 236 G HN 0.451 nan 8.290 nan 0.000 0.550 237 T N 0.818 115.394 114.554 0.036 0.000 2.746 237 T HA -0.067 4.291 4.350 0.014 0.000 0.267 237 T C 2.011 176.591 174.700 -0.201 0.000 1.039 237 T CA 0.979 63.020 62.100 -0.099 0.000 1.142 237 T CB -0.323 68.463 68.868 -0.138 0.000 0.866 237 T HN 0.309 nan 8.240 nan 0.000 0.444 238 F N 0.658 120.653 119.950 0.074 0.000 2.259 238 F HA 0.165 4.697 4.527 0.009 0.000 0.298 238 F C 2.043 177.858 175.800 0.024 0.000 1.088 238 F CA 0.434 58.458 58.000 0.040 0.000 1.358 238 F CB -0.376 38.654 39.000 0.049 0.000 1.040 238 F HN 0.064 nan 8.300 nan 0.000 0.505 239 L N -0.877 120.457 121.223 0.185 0.000 2.093 239 L HA -0.176 4.172 4.340 0.014 0.000 0.208 239 L C 2.312 179.204 176.870 0.037 0.000 1.085 239 L CA 0.593 55.503 54.840 0.117 0.000 0.755 239 L CB -0.699 41.434 42.059 0.123 0.000 0.904 239 L HN -0.038 nan 8.230 nan 0.000 0.435 240 V N 0.087 119.988 119.914 -0.020 0.000 2.358 240 V HA -0.271 3.857 4.120 0.014 0.000 0.246 240 V C 2.779 178.822 176.094 -0.085 0.000 1.047 240 V CA 1.666 63.885 62.300 -0.135 0.000 1.035 240 V CB -0.803 30.889 31.823 -0.217 0.000 0.658 240 V HN 0.471 nan 8.190 nan 0.000 0.452 241 A N 0.142 122.936 122.820 -0.043 0.000 1.917 241 A HA -0.226 4.102 4.320 0.014 0.000 0.219 241 A C 2.403 179.990 177.584 0.006 0.000 1.182 241 A CA 2.478 54.505 52.037 -0.017 0.000 0.633 241 A CB -0.788 18.235 19.000 0.038 0.000 0.819 241 A HN 0.594 nan 8.150 nan 0.000 0.448 242 A N -0.557 122.281 122.820 0.030 0.000 1.929 242 A HA 0.282 4.611 4.320 0.014 0.000 0.216 242 A C 2.470 180.049 177.584 -0.008 0.000 1.176 242 A CA 1.743 53.790 52.037 0.017 0.000 0.628 242 A CB -0.928 18.091 19.000 0.030 0.000 0.816 242 A HN 1.098 nan 8.150 nan 0.000 0.444 243 A N 0.514 123.322 122.820 -0.021 0.000 2.019 243 A HA -0.048 4.280 4.320 0.014 0.000 0.219 243 A C 1.970 179.527 177.584 -0.045 0.000 1.164 243 A CA 1.457 53.473 52.037 -0.036 0.000 0.644 243 A CB -0.725 18.235 19.000 -0.066 0.000 0.805 243 A HN 0.994 nan 8.150 nan 0.000 0.449 244 I N -3.089 117.448 120.570 -0.055 0.000 3.883 244 I HA 0.152 4.330 4.170 0.014 0.000 0.326 244 I C 1.201 177.300 176.117 -0.030 0.000 1.283 244 I CA 1.015 62.285 61.300 -0.050 0.000 1.161 244 I CB 0.327 38.289 38.000 -0.065 0.000 1.012 244 I HN 0.215 nan 8.210 nan 0.000 0.421 245 S N -0.099 115.587 115.700 -0.022 0.000 2.663 245 S HA 0.443 4.921 4.470 0.014 0.000 0.243 245 S C 1.368 175.963 174.600 -0.009 0.000 1.009 245 S CA 0.151 58.342 58.200 -0.015 0.000 0.988 245 S CB 0.230 63.422 63.200 -0.013 0.000 0.896 245 S HN 0.734 nan 8.310 nan 0.000 0.502 246 G N 0.608 109.403 108.800 -0.008 0.000 2.225 246 G HA2 -0.120 3.849 3.960 0.014 0.000 0.267 246 G HA3 -0.120 3.849 3.960 0.014 0.000 0.267 246 G C 0.515 175.409 174.900 -0.010 0.000 1.024 246 G CA 0.021 45.120 45.100 -0.002 0.000 0.784 246 G HN 1.086 nan 8.290 nan 0.000 0.507 247 G N -1.017 107.774 108.800 -0.015 0.000 2.525 247 G HA2 0.642 4.611 3.960 0.014 0.000 0.287 247 G HA3 0.642 4.611 3.960 0.014 0.000 0.287 247 G C -0.155 174.722 174.900 -0.040 0.000 1.350 247 G CA -0.032 45.056 45.100 -0.020 0.000 1.039 247 G HN 0.653 nan 8.290 nan 0.000 0.513 248 K N -0.752 119.627 120.400 -0.036 0.000 2.553 248 K HA 0.573 4.901 4.320 0.014 0.000 0.250 248 K C -1.794 174.792 176.600 -0.024 0.000 0.953 248 K CA -0.620 55.636 56.287 -0.051 0.000 0.800 248 K CB 1.851 34.309 32.500 -0.070 0.000 1.243 248 K HN 0.442 nan 8.250 nan 0.000 0.435 249 I N 3.116 123.683 120.570 -0.006 0.000 2.994 249 I HA 0.485 4.663 4.170 0.014 0.000 0.306 249 I C -1.670 174.463 176.117 0.025 0.000 1.195 249 I CA -1.039 60.265 61.300 0.007 0.000 1.001 249 I CB 2.383 40.403 38.000 0.032 0.000 1.244 249 I HN 0.375 nan 8.210 nan 0.000 0.437 250 V N 4.955 124.876 119.914 0.011 0.000 2.483 250 V HA 0.336 4.465 4.120 0.014 0.000 0.297 250 V C -0.819 175.298 176.094 0.038 0.000 1.027 250 V CA -0.543 61.780 62.300 0.037 0.000 0.855 250 V CB 1.467 33.267 31.823 -0.039 0.000 0.995 250 V HN 0.768 nan 8.190 nan 0.000 0.424 251 C N 6.456 125.819 119.300 0.105 0.000 2.239 251 C HA 0.572 5.040 4.460 0.014 0.000 0.325 251 C C 0.747 175.806 174.990 0.114 0.000 1.231 251 C CA -0.946 58.120 59.018 0.080 0.000 1.652 251 C CB -0.334 27.474 27.740 0.114 0.000 2.284 251 C HN 0.969 nan 8.230 nan 0.000 0.499 252 R N 2.424 122.956 120.500 0.053 0.000 2.573 252 R HA 0.429 4.777 4.340 0.014 0.000 0.272 252 R C 0.119 176.454 176.300 0.060 0.000 1.009 252 R CA -0.382 55.761 56.100 0.072 0.000 1.059 252 R CB 0.231 30.538 30.300 0.012 0.000 1.112 252 R HN 0.809 nan 8.270 nan 0.000 0.517 253 N N -0.804 117.939 118.700 0.072 0.000 2.758 253 N HA -0.226 4.522 4.740 0.014 0.000 0.248 253 N C -0.889 174.646 175.510 0.042 0.000 1.076 253 N CA 0.413 53.488 53.050 0.042 0.000 0.696 253 N CB -0.660 37.835 38.487 0.012 0.000 0.979 253 N HN 0.789 nan 8.380 nan 0.000 0.550 254 A N 0.563 123.423 122.820 0.066 0.000 2.282 254 A HA 0.633 4.962 4.320 0.014 0.000 0.324 254 A C 0.105 177.700 177.584 0.019 0.000 1.119 254 A CA -0.298 51.769 52.037 0.049 0.000 0.880 254 A CB 1.381 20.425 19.000 0.072 0.000 1.294 254 A HN 0.282 nan 8.150 nan 0.000 0.493 255 Q N 0.070 119.871 119.800 0.002 0.000 2.786 255 Q HA 0.326 4.674 4.340 0.014 0.000 0.240 255 Q C -2.360 173.624 176.000 -0.026 0.000 0.928 255 Q CA -1.704 54.087 55.803 -0.019 0.000 0.721 255 Q CB 1.428 30.157 28.738 -0.016 0.000 1.318 255 Q HN 0.405 nan 8.270 nan 0.000 0.474 256 P HA -0.212 nan 4.420 nan 0.000 0.217 256 P C 0.558 177.836 177.300 -0.038 0.000 1.151 256 P CA 1.606 64.668 63.100 -0.063 0.000 0.849 256 P CB 0.196 31.815 31.700 -0.135 0.000 0.787 257 D N -1.455 118.925 120.400 -0.034 0.000 2.378 257 D HA -0.098 4.551 4.640 0.014 0.000 0.227 257 D C 1.094 177.409 176.300 0.025 0.000 1.012 257 D CA 1.205 55.199 54.000 -0.011 0.000 0.905 257 D CB -1.434 39.360 40.800 -0.011 0.000 0.895 257 D HN 0.224 nan 8.370 nan 0.000 0.532 258 T N -2.700 111.871 114.554 0.027 0.000 3.086 258 T HA 0.228 4.586 4.350 0.014 0.000 0.250 258 T C 1.178 175.926 174.700 0.080 0.000 1.074 258 T CA -0.287 61.853 62.100 0.067 0.000 0.988 258 T CB -0.255 68.619 68.868 0.010 0.000 0.988 258 T HN 0.188 nan 8.240 nan 0.000 0.530 259 L N 0.574 121.817 121.223 0.033 0.000 3.358 259 L HA 0.356 4.704 4.340 0.014 0.000 0.301 259 L C 0.775 177.640 176.870 -0.008 0.000 1.276 259 L CA -0.283 54.560 54.840 0.006 0.000 1.028 259 L CB 0.578 42.641 42.059 0.007 0.000 1.421 259 L HN -0.018 nan 8.230 nan 0.000 0.604 260 D N 1.592 121.986 120.400 -0.010 0.000 2.126 260 D HA -0.244 4.404 4.640 0.014 0.000 0.190 260 D C 2.154 178.447 176.300 -0.012 0.000 1.001 260 D CA 1.851 55.842 54.000 -0.016 0.000 0.841 260 D CB 0.181 40.965 40.800 -0.028 0.000 0.949 260 D HN 0.401 nan 8.370 nan 0.000 0.446 261 A N 0.470 123.269 122.820 -0.034 0.000 1.933 261 A HA -0.118 4.210 4.320 0.014 0.000 0.218 261 A C 2.568 180.168 177.584 0.027 0.000 1.175 261 A CA 1.223 53.258 52.037 -0.002 0.000 0.628 261 A CB -0.668 18.322 19.000 -0.016 0.000 0.814 261 A HN 0.161 nan 8.150 nan 0.000 0.444 262 V N 0.253 120.125 119.914 -0.071 0.000 2.307 262 V HA -0.239 3.889 4.120 0.014 0.000 0.245 262 V C 2.553 178.733 176.094 0.142 0.000 1.045 262 V CA 1.910 64.191 62.300 -0.032 0.000 1.024 262 V CB -0.731 31.041 31.823 -0.085 0.000 0.651 262 V HN 0.575 nan 8.190 nan 0.000 0.449 263 L N 0.103 121.382 121.223 0.093 0.000 2.093 263 L HA -0.127 4.221 4.340 0.014 0.000 0.208 263 L C 2.746 179.680 176.870 0.108 0.000 1.085 263 L CA 1.493 56.396 54.840 0.105 0.000 0.755 263 L CB -0.910 41.180 42.059 0.053 0.000 0.904 263 L HN 0.360 nan 8.230 nan 0.000 0.435 264 A N 0.217 123.086 122.820 0.082 0.000 1.933 264 A HA -0.243 4.086 4.320 0.014 0.000 0.218 264 A C 2.326 179.975 177.584 0.108 0.000 1.175 264 A CA 1.915 53.998 52.037 0.076 0.000 0.628 264 A CB -0.358 18.672 19.000 0.050 0.000 0.814 264 A HN 0.192 nan 8.150 nan 0.000 0.444 265 K N -0.038 120.448 120.400 0.143 0.000 2.097 265 K HA 0.077 4.405 4.320 0.014 0.000 0.205 265 K C 1.727 178.511 176.600 0.308 0.000 1.050 265 K CA 1.109 57.504 56.287 0.181 0.000 0.938 265 K CB -0.543 32.014 32.500 0.096 0.000 0.718 265 K HN 0.476 nan 8.250 nan 0.000 0.442 266 L N 0.118 121.553 121.223 0.355 0.000 2.083 266 L HA -0.156 4.193 4.340 0.014 0.000 0.209 266 L C 2.406 179.379 176.870 0.172 0.000 1.083 266 L CA 1.317 56.332 54.840 0.292 0.000 0.752 266 L CB -0.288 41.922 42.059 0.251 0.000 0.899 266 L HN 0.157 nan 8.230 nan 0.000 0.433 267 R N -0.023 120.561 120.500 0.140 0.000 2.096 267 R HA -0.163 4.186 4.340 0.014 0.000 0.235 267 R C 2.092 178.448 176.300 0.094 0.000 1.127 267 R CA 1.292 57.453 56.100 0.101 0.000 0.968 267 R CB -0.258 30.091 30.300 0.080 0.000 0.861 267 R HN 0.456 nan 8.270 nan 0.000 0.440 268 E N 0.411 120.672 120.200 0.101 0.000 2.204 268 E HA -0.127 4.232 4.350 0.014 0.000 0.195 268 E C 1.561 178.214 176.600 0.088 0.000 0.990 268 E CA 0.987 57.437 56.400 0.084 0.000 0.821 268 E CB 0.023 29.769 29.700 0.077 0.000 0.750 268 E HN 0.330 nan 8.360 nan 0.000 0.477 269 A N 0.043 122.932 122.820 0.115 0.000 2.238 269 A HA 0.250 4.578 4.320 0.014 0.000 0.208 269 A C 1.637 179.265 177.584 0.073 0.000 1.177 269 A CA 0.819 52.913 52.037 0.096 0.000 0.804 269 A CB -0.196 18.870 19.000 0.109 0.000 0.823 269 A HN 0.334 nan 8.150 nan 0.000 0.482 270 G N -2.279 106.567 108.800 0.077 0.000 2.176 270 G HA2 0.126 4.094 3.960 0.014 0.000 0.232 270 G HA3 0.126 4.094 3.960 0.014 0.000 0.232 270 G C 0.391 175.343 174.900 0.087 0.000 0.986 270 G CA 0.109 45.253 45.100 0.074 0.000 0.643 270 G HN 1.536 nan 8.290 nan 0.000 0.522 271 A N 0.194 123.066 122.820 0.086 0.000 2.425 271 A HA 0.538 4.866 4.320 0.014 0.000 0.249 271 A C 0.164 177.806 177.584 0.097 0.000 1.084 271 A CA 0.570 52.657 52.037 0.083 0.000 0.781 271 A CB 0.530 19.575 19.000 0.075 0.000 1.019 271 A HN 0.450 nan 8.150 nan 0.000 0.490 272 D N 2.226 122.688 120.400 0.103 0.000 2.411 272 D HA 0.457 5.105 4.640 0.014 0.000 0.225 272 D C -0.591 175.763 176.300 0.090 0.000 1.156 272 D CA 0.132 54.210 54.000 0.130 0.000 0.874 272 D CB -0.063 40.881 40.800 0.239 0.000 1.034 272 D HN 0.354 nan 8.370 nan 0.000 0.502 273 I N 2.660 123.284 120.570 0.089 0.000 2.530 273 I HA 0.369 4.547 4.170 0.014 0.000 0.297 273 I C 0.341 176.506 176.117 0.080 0.000 1.011 273 I CA -0.775 60.575 61.300 0.084 0.000 1.107 273 I CB 1.878 39.919 38.000 0.069 0.000 1.285 273 I HN 0.219 nan 8.210 nan 0.000 0.436 274 E N 2.995 123.258 120.200 0.105 0.000 2.343 274 E HA 0.601 4.959 4.350 0.014 0.000 0.270 274 E C -1.126 175.391 176.600 -0.138 0.000 0.895 274 E CA -0.768 55.677 56.400 0.075 0.000 0.767 274 E CB 2.741 32.604 29.700 0.271 0.000 1.248 274 E HN 0.673 nan 8.360 nan 0.000 0.440 275 T N -1.438 112.847 114.554 -0.447 0.000 2.896 275 T HA 0.813 5.172 4.350 0.014 0.000 0.297 275 T C 0.008 173.936 174.700 -1.286 0.000 1.108 275 T CA -0.750 60.821 62.100 -0.881 0.000 1.004 275 T CB 1.936 70.543 68.868 -0.435 0.000 1.159 275 T HN 0.521 nan 8.240 nan 0.000 0.499 276 G N -0.201 107.560 108.800 -1.731 0.000 3.105 276 G HA2 0.533 4.501 3.960 0.014 0.000 0.277 276 G HA3 0.533 4.501 3.960 0.014 0.000 0.277 276 G C -0.054 174.483 174.900 -0.605 0.000 1.375 276 G CA -0.769 43.655 45.100 -1.128 0.000 0.962 276 G HN 0.748 nan 8.290 nan 0.000 0.541 277 E N -0.382 119.667 120.200 -0.253 0.000 2.285 277 E HA -0.011 4.347 4.350 0.014 0.000 0.194 277 E C 0.441 176.985 176.600 -0.093 0.000 0.997 277 E CA 1.108 57.425 56.400 -0.138 0.000 0.845 277 E CB 0.310 29.979 29.700 -0.051 0.000 0.782 277 E HN 0.545 nan 8.360 nan 0.000 0.491 278 D N -0.546 119.835 120.400 -0.032 0.000 2.673 278 D HA 0.002 4.651 4.640 0.014 0.000 0.278 278 D C -0.354 176.063 176.300 0.194 0.000 1.393 278 D CA -0.435 53.603 54.000 0.064 0.000 0.805 278 D CB -0.382 40.477 40.800 0.098 0.000 1.110 278 D HN 0.185 nan 8.370 nan 0.000 0.476 279 W N -0.072 121.228 121.300 -0.001 0.000 3.146 279 W HA 0.622 5.290 4.660 0.013 0.000 0.319 279 W C -2.304 174.221 176.519 0.009 0.000 1.258 279 W CA -1.211 56.134 57.345 0.000 0.000 1.189 279 W CB 0.439 29.896 29.460 -0.005 0.000 1.412 279 W HN -0.299 nan 8.180 nan 0.000 0.567 280 I N 3.032 123.826 120.570 0.374 0.000 2.607 280 I HA 0.303 4.481 4.170 0.014 0.000 0.290 280 I C -0.163 176.177 176.117 0.371 0.000 1.129 280 I CA -0.689 60.743 61.300 0.219 0.000 1.042 280 I CB 2.543 40.597 38.000 0.089 0.000 1.242 280 I HN 0.453 nan 8.210 nan 0.000 0.421 281 S N 6.795 122.733 115.700 0.395 0.000 2.532 281 S HA 0.875 5.353 4.470 0.014 0.000 0.301 281 S C -0.954 173.740 174.600 0.156 0.000 1.083 281 S CA -0.752 57.610 58.200 0.269 0.000 1.025 281 S CB 2.439 65.811 63.200 0.287 0.000 1.056 281 S HN 0.650 nan 8.310 nan 0.000 0.494 282 L N 1.825 123.102 121.223 0.091 0.000 2.436 282 L HA 0.719 5.067 4.340 0.014 0.000 0.268 282 L C -2.078 174.784 176.870 -0.014 0.000 0.974 282 L CA -0.317 54.554 54.840 0.051 0.000 0.826 282 L CB 2.035 44.130 42.059 0.060 0.000 1.291 282 L HN 0.841 nan 8.230 nan 0.000 0.406 283 D N 4.651 125.007 120.400 -0.073 0.000 2.757 283 D HA 0.334 4.982 4.640 0.014 0.000 0.249 283 D C 0.185 176.336 176.300 -0.248 0.000 1.168 283 D CA -0.457 53.403 54.000 -0.233 0.000 0.870 283 D CB 1.793 42.335 40.800 -0.429 0.000 1.411 283 D HN 0.479 nan 8.370 nan 0.000 0.525 284 M N 1.570 121.074 119.600 -0.161 0.000 2.509 284 M HA 0.052 4.540 4.480 0.014 0.000 0.250 284 M C 0.157 176.486 176.300 0.049 0.000 1.132 284 M CA 0.258 55.540 55.300 -0.030 0.000 1.080 284 M CB -0.695 31.903 32.600 -0.003 0.000 1.408 284 M HN 0.518 nan 8.290 nan 0.000 0.484 285 H N 0.185 119.267 119.070 0.021 0.000 2.770 285 H HA -0.149 4.416 4.556 0.015 0.000 0.309 285 H C 1.329 176.664 175.328 0.013 0.000 1.206 285 H CA 0.826 56.884 56.048 0.017 0.000 1.147 285 H CB -2.137 27.637 29.762 0.019 0.000 1.422 285 H HN 0.653 nan 8.280 nan 0.000 0.420 286 G N -0.315 108.527 108.800 0.069 0.000 2.196 286 G HA2 -0.362 3.606 3.960 0.014 0.000 0.268 286 G HA3 -0.362 3.606 3.960 0.014 0.000 0.268 286 G C 0.434 175.362 174.900 0.046 0.000 0.975 286 G CA 1.089 46.217 45.100 0.047 0.000 0.648 286 G HN 0.544 nan 8.290 nan 0.000 0.538 287 K N -0.142 120.295 120.400 0.062 0.000 2.087 287 K HA 0.527 4.855 4.320 0.014 0.000 0.255 287 K C 0.771 177.390 176.600 0.033 0.000 0.988 287 K CA -0.857 55.460 56.287 0.049 0.000 0.915 287 K CB 1.144 33.683 32.500 0.065 0.000 1.043 287 K HN 0.234 nan 8.250 nan 0.000 0.457 288 R N 2.151 122.666 120.500 0.025 0.000 2.641 288 R HA 0.148 4.496 4.340 0.014 0.000 0.269 288 R C -2.116 174.195 176.300 0.019 0.000 1.074 288 R CA -1.271 54.838 56.100 0.015 0.000 1.133 288 R CB 0.402 30.710 30.300 0.013 0.000 1.029 288 R HN 0.405 nan 8.270 nan 0.000 0.488 289 P HA 0.122 nan 4.420 nan 0.000 0.274 289 P C -1.357 175.957 177.300 0.023 0.000 1.246 289 P CA -0.129 62.980 63.100 0.015 0.000 0.795 289 P CB 0.821 32.517 31.700 -0.007 0.000 1.006 290 K N 0.514 120.934 120.400 0.034 0.000 2.138 290 K HA 0.574 4.903 4.320 0.014 0.000 0.263 290 K C 0.102 176.726 176.600 0.041 0.000 0.965 290 K CA -0.769 55.539 56.287 0.036 0.000 0.868 290 K CB 1.394 33.918 32.500 0.040 0.000 1.083 290 K HN 0.491 nan 8.250 nan 0.000 0.443 291 A N 1.863 124.704 122.820 0.035 0.000 2.498 291 A HA 0.306 4.635 4.320 0.014 0.000 0.239 291 A C 0.085 177.694 177.584 0.042 0.000 1.068 291 A CA -0.322 51.735 52.037 0.034 0.000 0.766 291 A CB -0.038 18.975 19.000 0.021 0.000 1.003 291 A HN 0.538 nan 8.150 nan 0.000 0.497 292 V N -0.563 119.382 119.914 0.052 0.000 3.074 292 V HA 0.845 4.973 4.120 0.014 0.000 0.314 292 V C -0.085 176.011 176.094 0.002 0.000 1.117 292 V CA -0.665 61.661 62.300 0.045 0.000 1.014 292 V CB 1.646 33.526 31.823 0.096 0.000 1.057 292 V HN 0.776 nan 8.190 nan 0.000 0.438 293 T N 1.882 116.420 114.554 -0.028 0.000 2.795 293 T HA 0.707 5.066 4.350 0.014 0.000 0.282 293 T C -0.491 174.130 174.700 -0.133 0.000 0.980 293 T CA -0.293 61.769 62.100 -0.063 0.000 1.012 293 T CB 1.301 70.141 68.868 -0.047 0.000 0.936 293 T HN 0.729 nan 8.240 nan 0.000 0.457 294 V N 4.514 124.313 119.914 -0.191 0.000 2.588 294 V HA 0.549 4.677 4.120 0.014 0.000 0.304 294 V C -0.243 175.695 176.094 -0.260 0.000 1.042 294 V CA -0.977 61.094 62.300 -0.381 0.000 0.877 294 V CB 2.034 33.470 31.823 -0.645 0.000 0.996 294 V HN 0.744 nan 8.190 nan 0.000 0.425 295 R N 2.170 122.529 120.500 -0.234 0.000 2.435 295 R HA 0.500 4.849 4.340 0.014 0.000 0.308 295 R C -0.134 176.149 176.300 -0.028 0.000 0.975 295 R CA -0.527 55.520 56.100 -0.088 0.000 0.867 295 R CB 2.002 32.278 30.300 -0.041 0.000 1.171 295 R HN 0.882 nan 8.270 nan 0.000 0.470 296 T N -0.064 114.522 114.554 0.053 0.000 2.913 296 T HA 0.680 5.038 4.350 0.014 0.000 0.297 296 T C 0.257 175.040 174.700 0.138 0.000 1.029 296 T CA -0.485 61.737 62.100 0.204 0.000 1.104 296 T CB 1.638 70.654 68.868 0.246 0.000 0.964 296 T HN 0.648 nan 8.240 nan 0.000 0.532 297 A N 3.010 125.919 122.820 0.149 0.000 2.581 297 A HA 0.783 5.111 4.320 0.014 0.000 0.290 297 A C -3.103 174.539 177.584 0.096 0.000 1.119 297 A CA -1.810 50.278 52.037 0.085 0.000 0.670 297 A CB 0.312 19.341 19.000 0.047 0.000 1.280 297 A HN 0.652 nan 8.150 nan 0.000 0.425 298 P HA 0.232 nan 4.420 nan 0.000 0.267 298 P C -0.388 176.960 177.300 0.079 0.000 1.200 298 P CA 0.433 63.590 63.100 0.094 0.000 0.772 298 P CB 0.129 31.867 31.700 0.063 0.000 0.855 299 H N 4.872 123.961 119.070 0.032 0.000 3.038 299 H HA -0.000 4.564 4.556 0.014 0.000 0.338 299 H C -1.134 174.199 175.328 0.009 0.000 1.041 299 H CA -0.595 55.458 56.048 0.009 0.000 1.394 299 H CB 0.291 30.054 29.762 0.002 0.000 1.357 299 H HN 0.335 nan 8.280 nan 0.000 0.600 300 P HA 0.114 nan 4.420 nan 0.000 0.255 300 P C -0.300 176.762 177.300 -0.396 0.000 1.301 300 P CA 0.259 62.770 63.100 -0.982 0.000 0.817 300 P CB -0.039 31.264 31.700 -0.662 0.000 1.259 301 A N 0.434 123.144 122.820 -0.183 0.000 2.262 301 A HA 0.264 4.592 4.320 0.014 0.000 0.273 301 A C -0.205 177.376 177.584 -0.006 0.000 1.202 301 A CA -0.581 51.426 52.037 -0.050 0.000 0.811 301 A CB -0.577 18.428 19.000 0.009 0.000 1.159 301 A HN 0.167 nan 8.150 nan 0.000 0.505 302 F N 1.595 121.501 119.950 -0.073 0.000 2.602 302 F HA 0.273 4.808 4.527 0.013 0.000 0.385 302 F C -1.677 174.106 175.800 -0.030 0.000 1.063 302 F CA -1.384 56.566 58.000 -0.084 0.000 1.233 302 F CB 0.630 39.548 39.000 -0.135 0.000 1.067 302 F HN 0.245 nan 8.300 nan 0.000 0.564 303 P HA -0.002 nan 4.420 nan 0.000 0.281 303 P C 0.344 177.656 177.300 0.018 0.000 1.252 303 P CA -0.108 62.910 63.100 -0.137 0.000 0.778 303 P CB 1.560 33.145 31.700 -0.191 0.000 0.895 304 T N 1.502 116.137 114.554 0.136 0.000 2.803 304 T HA -0.156 4.202 4.350 0.014 0.000 0.269 304 T C 0.989 175.723 174.700 0.057 0.000 1.052 304 T CA 1.691 63.883 62.100 0.152 0.000 1.136 304 T CB -0.680 68.279 68.868 0.152 0.000 0.864 304 T HN 0.304 nan 8.240 nan 0.000 0.467 305 D N 0.288 120.680 120.400 -0.014 0.000 2.378 305 D HA 0.030 4.679 4.640 0.014 0.000 0.222 305 D C 1.372 177.677 176.300 0.008 0.000 0.980 305 D CA 0.565 54.544 54.000 -0.036 0.000 0.907 305 D CB 0.025 40.785 40.800 -0.066 0.000 0.899 305 D HN 0.407 nan 8.370 nan 0.000 0.527 306 M N -0.232 119.390 119.600 0.037 0.000 2.333 306 M HA 0.053 4.541 4.480 0.014 0.000 0.257 306 M C 1.652 178.211 176.300 0.432 0.000 1.078 306 M CA 0.113 55.507 55.300 0.156 0.000 1.005 306 M CB 0.385 32.949 32.600 -0.060 0.000 1.444 306 M HN -0.003 nan 8.290 nan 0.000 0.496 307 Q N 1.209 121.237 119.800 0.380 0.000 2.050 307 Q HA -0.122 4.226 4.340 0.014 0.000 0.202 307 Q C 1.744 177.944 176.000 0.334 0.000 0.980 307 Q CA 2.187 58.232 55.803 0.404 0.000 0.840 307 Q CB 0.010 28.907 28.738 0.266 0.000 0.898 307 Q HN 0.439 nan 8.270 nan 0.000 0.424 308 A N 0.695 123.606 122.820 0.151 0.000 1.917 308 A HA -0.271 4.057 4.320 0.014 0.000 0.219 308 A C 2.010 179.678 177.584 0.142 0.000 1.182 308 A CA 1.966 53.988 52.037 -0.024 0.000 0.633 308 A CB -0.563 18.149 19.000 -0.480 0.000 0.819 308 A HN 0.536 nan 8.150 nan 0.000 0.448 309 Q N -1.392 118.498 119.800 0.151 0.000 2.079 309 Q HA -0.037 4.311 4.340 0.014 0.000 0.200 309 Q C 1.665 177.727 176.000 0.104 0.000 0.974 309 Q CA 1.590 57.459 55.803 0.110 0.000 0.840 309 Q CB -0.402 28.393 28.738 0.096 0.000 0.898 309 Q HN 0.689 nan 8.270 nan 0.000 0.430 310 F N 0.069 120.121 119.950 0.171 0.000 2.325 310 F HA -0.088 4.449 4.527 0.016 0.000 0.299 310 F C 2.195 178.060 175.800 0.108 0.000 1.090 310 F CA 1.107 59.195 58.000 0.146 0.000 1.392 310 F CB -0.400 38.700 39.000 0.168 0.000 1.053 310 F HN 0.007 nan 8.300 nan 0.000 0.521 311 T N 0.647 115.388 114.554 0.311 0.000 2.746 311 T HA -0.203 4.155 4.350 0.014 0.000 0.267 311 T C 2.040 176.819 174.700 0.132 0.000 1.039 311 T CA 1.391 63.627 62.100 0.226 0.000 1.142 311 T CB -0.544 68.528 68.868 0.340 0.000 0.866 311 T HN 0.149 nan 8.240 nan 0.000 0.444 312 L N 1.246 122.558 121.223 0.147 0.000 2.017 312 L HA 0.037 4.385 4.340 0.014 0.000 0.208 312 L C 2.219 179.089 176.870 -0.000 0.000 1.073 312 L CA 1.536 56.414 54.840 0.064 0.000 0.745 312 L CB -0.863 41.231 42.059 0.057 0.000 0.894 312 L HN 0.271 nan 8.230 nan 0.000 0.432 313 L N -0.342 120.855 121.223 -0.043 0.000 2.012 313 L HA -0.275 4.073 4.340 0.014 0.000 0.210 313 L C 2.256 179.106 176.870 -0.032 0.000 1.073 313 L CA 1.916 56.701 54.840 -0.091 0.000 0.748 313 L CB -0.604 41.309 42.059 -0.243 0.000 0.891 313 L HN 0.388 nan 8.230 nan 0.000 0.431 314 N N -0.037 118.668 118.700 0.008 0.000 2.166 314 N HA -0.162 4.586 4.740 0.014 0.000 0.186 314 N C 1.787 177.290 175.510 -0.011 0.000 1.019 314 N CA 1.451 54.506 53.050 0.009 0.000 0.856 314 N CB -0.385 38.110 38.487 0.014 0.000 0.993 314 N HN 0.386 nan 8.380 nan 0.000 0.426 315 L N 0.250 121.463 121.223 -0.017 0.000 2.456 315 L HA -0.029 4.320 4.340 0.014 0.000 0.224 315 L C 1.303 178.152 176.870 -0.034 0.000 1.148 315 L CA 0.486 55.307 54.840 -0.030 0.000 0.825 315 L CB -0.027 42.010 42.059 -0.037 0.000 0.937 315 L HN 0.070 nan 8.230 nan 0.000 0.450 316 V N -4.763 115.135 119.914 -0.027 0.000 3.276 316 V HA 0.525 4.653 4.120 0.014 0.000 0.319 316 V C 0.764 176.849 176.094 -0.015 0.000 1.427 316 V CA -0.267 62.016 62.300 -0.028 0.000 1.102 316 V CB -0.388 31.416 31.823 -0.031 0.000 1.020 316 V HN 0.103 nan 8.190 nan 0.000 0.456 317 A N 0.404 123.220 122.820 -0.007 0.000 2.242 317 A HA 0.677 5.005 4.320 0.014 0.000 0.304 317 A C 0.104 177.697 177.584 0.016 0.000 1.100 317 A CA -0.619 51.420 52.037 0.005 0.000 0.860 317 A CB 0.400 19.406 19.000 0.010 0.000 1.168 317 A HN 0.539 nan 8.150 nan 0.000 0.503 318 E N 0.022 120.235 120.200 0.021 0.000 2.152 318 E HA 0.460 4.818 4.350 0.014 0.000 0.285 318 E C 0.437 177.058 176.600 0.034 0.000 1.043 318 E CA 0.688 57.105 56.400 0.028 0.000 0.839 318 E CB 0.713 30.429 29.700 0.026 0.000 1.069 318 E HN 1.250 nan 8.360 nan 0.000 0.399 319 G N 2.583 111.410 108.800 0.045 0.000 2.549 319 G HA2 -0.174 3.794 3.960 0.014 0.000 0.404 319 G HA3 -0.174 3.794 3.960 0.014 0.000 0.404 319 G C -0.504 174.435 174.900 0.065 0.000 1.292 319 G CA -0.886 44.246 45.100 0.054 0.000 0.935 319 G HN 0.433 nan 8.290 nan 0.000 0.512 320 T N 0.299 114.893 114.554 0.065 0.000 2.855 320 T HA 0.779 5.137 4.350 0.014 0.000 0.281 320 T C 0.436 175.130 174.700 -0.009 0.000 1.007 320 T CA 0.467 62.594 62.100 0.044 0.000 1.009 320 T CB 1.663 70.611 68.868 0.134 0.000 0.983 320 T HN 1.875 nan 8.240 nan 0.000 0.455 321 G N 0.921 109.682 108.800 -0.065 0.000 2.746 321 G HA2 0.609 4.577 3.960 0.014 0.000 0.297 321 G HA3 0.609 4.577 3.960 0.014 0.000 0.297 321 G C -0.998 173.845 174.900 -0.095 0.000 1.426 321 G CA -0.696 44.372 45.100 -0.053 0.000 0.989 321 G HN 0.840 nan 8.290 nan 0.000 0.520 322 V N -0.324 119.542 119.914 -0.080 0.000 2.667 322 V HA 0.800 4.928 4.120 0.014 0.000 0.308 322 V C -0.390 175.659 176.094 -0.075 0.000 1.048 322 V CA -1.195 61.047 62.300 -0.097 0.000 0.928 322 V CB 1.762 33.534 31.823 -0.085 0.000 1.004 322 V HN 0.604 nan 8.190 nan 0.000 0.444 323 I N 2.720 123.248 120.570 -0.070 0.000 2.436 323 I HA 0.536 4.715 4.170 0.014 0.000 0.289 323 I C -0.112 176.042 176.117 0.062 0.000 1.010 323 I CA -0.047 61.249 61.300 -0.006 0.000 1.098 323 I CB 1.805 39.861 38.000 0.094 0.000 1.266 323 I HN 0.761 nan 8.210 nan 0.000 0.434 324 T N 5.047 119.647 114.554 0.077 0.000 2.824 324 T HA 0.309 4.668 4.350 0.014 0.000 0.282 324 T C -0.142 174.663 174.700 0.174 0.000 0.993 324 T CA -0.630 61.555 62.100 0.142 0.000 0.967 324 T CB 1.876 70.777 68.868 0.055 0.000 0.960 324 T HN 0.337 nan 8.240 nan 0.000 0.441 325 E N 2.449 122.800 120.200 0.251 0.000 2.081 325 E HA 0.178 4.536 4.350 0.014 0.000 0.281 325 E C 1.001 177.655 176.600 0.089 0.000 0.986 325 E CA -0.111 56.375 56.400 0.143 0.000 0.796 325 E CB 1.535 31.263 29.700 0.046 0.000 1.085 325 E HN 0.831 nan 8.360 nan 0.000 0.398 326 T N 0.095 114.677 114.554 0.048 0.000 3.067 326 T HA 0.057 4.415 4.350 0.014 0.000 0.261 326 T C 1.383 176.035 174.700 -0.079 0.000 1.110 326 T CA 0.264 62.362 62.100 -0.004 0.000 1.113 326 T CB 0.228 69.091 68.868 -0.007 0.000 0.917 326 T HN 0.259 nan 8.240 nan 0.000 0.499 327 I N -0.830 119.642 120.570 -0.163 0.000 3.518 327 I HA 0.383 4.562 4.170 0.014 0.000 0.260 327 I C 0.046 175.876 176.117 -0.478 0.000 1.148 327 I CA -0.217 60.832 61.300 -0.417 0.000 1.440 327 I CB -0.684 36.857 38.000 -0.764 0.000 1.485 327 I HN 0.154 nan 8.210 nan 0.000 0.456 328 F N 2.556 122.498 119.950 -0.014 0.000 2.396 328 F HA 0.326 4.862 4.527 0.015 0.000 0.343 328 F C 0.871 176.635 175.800 -0.060 0.000 1.104 328 F CA -0.420 57.558 58.000 -0.037 0.000 1.161 328 F CB 0.422 39.390 39.000 -0.054 0.000 1.146 328 F HN -0.020 nan 8.300 nan 0.000 0.522 329 E N 0.348 120.628 120.200 0.135 0.000 2.232 329 E HA 0.248 4.606 4.350 0.014 0.000 0.265 329 E C -0.186 176.430 176.600 0.026 0.000 1.001 329 E CA -0.906 55.532 56.400 0.063 0.000 0.870 329 E CB 0.705 30.443 29.700 0.064 0.000 1.175 329 E HN 0.582 nan 8.360 nan 0.000 0.407 330 N N 0.605 119.315 118.700 0.016 0.000 2.754 330 N HA -0.178 4.571 4.740 0.014 0.000 0.248 330 N C -0.428 175.037 175.510 -0.075 0.000 1.093 330 N CA 0.342 53.399 53.050 0.013 0.000 0.699 330 N CB -0.345 38.161 38.487 0.032 0.000 1.016 330 N HN 0.387 nan 8.380 nan 0.000 0.552 331 R N -0.422 119.902 120.500 -0.293 0.000 2.427 331 R HA 0.186 4.534 4.340 0.014 0.000 0.262 331 R C 0.195 176.299 176.300 -0.328 0.000 0.943 331 R CA 0.173 56.056 56.100 -0.362 0.000 1.081 331 R CB -0.188 29.838 30.300 -0.456 0.000 1.166 331 R HN 0.377 nan 8.270 nan 0.000 0.534 332 F N -0.221 119.813 119.950 0.139 0.000 2.772 332 F HA 0.308 4.843 4.527 0.013 0.000 0.302 332 F C 1.640 177.506 175.800 0.110 0.000 1.136 332 F CA -0.307 57.784 58.000 0.151 0.000 1.322 332 F CB 0.285 39.316 39.000 0.051 0.000 0.967 332 F HN -0.176 nan 8.300 nan 0.000 0.513 333 M N 0.122 119.881 119.600 0.266 0.000 2.549 333 M HA -0.129 4.360 4.480 0.014 0.000 0.260 333 M C 2.200 178.605 176.300 0.175 0.000 1.076 333 M CA 0.990 56.392 55.300 0.170 0.000 1.090 333 M CB -0.448 32.211 32.600 0.098 0.000 1.418 333 M HN 0.351 nan 8.290 nan 0.000 0.486 334 H N -1.349 117.763 119.070 0.069 0.000 2.551 334 H HA 0.135 4.698 4.556 0.012 0.000 0.266 334 H C 1.825 177.191 175.328 0.064 0.000 0.977 334 H CA 0.505 56.583 56.048 0.051 0.000 1.163 334 H CB -0.982 28.804 29.762 0.041 0.000 1.381 334 H HN 0.186 nan 8.280 nan 0.000 0.581 335 V N 2.053 121.765 119.914 -0.336 0.000 2.307 335 V HA -0.121 4.007 4.120 0.014 0.000 0.245 335 V C -0.316 175.713 176.094 -0.108 0.000 1.045 335 V CA 1.754 63.880 62.300 -0.291 0.000 1.024 335 V CB -1.189 30.504 31.823 -0.216 0.000 0.651 335 V HN 0.381 nan 8.190 nan 0.000 0.449 336 P HA -0.128 nan 4.420 nan 0.000 0.218 336 P C 1.620 178.920 177.300 -0.001 0.000 1.148 336 P CA 1.164 64.259 63.100 -0.009 0.000 0.822 336 P CB -0.009 31.699 31.700 0.013 0.000 0.784 337 E N -0.556 119.647 120.200 0.006 0.000 2.077 337 E HA -0.108 4.250 4.350 0.014 0.000 0.193 337 E C 2.093 178.698 176.600 0.009 0.000 0.989 337 E CA 1.016 57.428 56.400 0.020 0.000 0.800 337 E CB -0.857 28.870 29.700 0.046 0.000 0.746 337 E HN 0.337 nan 8.360 nan 0.000 0.452 338 L N 0.430 121.647 121.223 -0.012 0.000 2.156 338 L HA -0.079 4.270 4.340 0.014 0.000 0.208 338 L C 2.515 179.371 176.870 -0.023 0.000 1.095 338 L CA 0.575 55.404 54.840 -0.018 0.000 0.770 338 L CB -0.302 41.732 42.059 -0.041 0.000 0.914 338 L HN 0.065 nan 8.230 nan 0.000 0.439 339 I N -0.353 120.206 120.570 -0.019 0.000 2.361 339 I HA -0.265 3.914 4.170 0.014 0.000 0.251 339 I C 2.498 178.622 176.117 0.011 0.000 1.133 339 I CA 1.170 62.472 61.300 0.004 0.000 1.413 339 I CB -0.225 37.785 38.000 0.016 0.000 1.073 339 I HN 0.201 nan 8.210 nan 0.000 0.424 340 R N 0.167 120.672 120.500 0.009 0.000 2.237 340 R HA -0.016 4.332 4.340 0.014 0.000 0.219 340 R C 1.692 177.996 176.300 0.007 0.000 1.080 340 R CA 0.861 56.969 56.100 0.013 0.000 0.995 340 R CB -0.100 30.209 30.300 0.015 0.000 0.875 340 R HN 0.381 nan 8.270 nan 0.000 0.462 341 M N -0.721 118.877 119.600 -0.003 0.000 2.453 341 M HA 0.179 4.667 4.480 0.014 0.000 0.239 341 M C 0.626 176.907 176.300 -0.032 0.000 1.151 341 M CA 0.320 55.613 55.300 -0.012 0.000 0.989 341 M CB 1.283 33.877 32.600 -0.011 0.000 1.548 341 M HN 0.404 nan 8.290 nan 0.000 0.479 342 G N 0.483 109.262 108.800 -0.035 0.000 2.176 342 G HA2 -0.179 3.789 3.960 0.014 0.000 0.232 342 G HA3 -0.179 3.789 3.960 0.014 0.000 0.232 342 G C 0.207 174.982 174.900 -0.208 0.000 0.986 342 G CA -0.057 44.996 45.100 -0.078 0.000 0.643 342 G HN 0.642 nan 8.290 nan 0.000 0.522 343 A N 0.349 123.083 122.820 -0.143 0.000 2.366 343 A HA 0.631 4.960 4.320 0.014 0.000 0.249 343 A C 0.048 177.575 177.584 -0.095 0.000 1.084 343 A CA 0.027 51.957 52.037 -0.178 0.000 0.794 343 A CB 0.237 19.189 19.000 -0.080 0.000 1.034 343 A HN 0.530 nan 8.150 nan 0.000 0.491 344 H N -0.076 119.011 119.070 0.029 0.000 2.708 344 H HA 0.697 5.262 4.556 0.015 0.000 0.320 344 H C -0.169 175.206 175.328 0.077 0.000 0.991 344 H CA 0.094 56.184 56.048 0.070 0.000 1.243 344 H CB 1.153 30.983 29.762 0.113 0.000 1.446 344 H HN 0.929 nan 8.280 nan 0.000 0.502 345 A N 2.755 125.671 122.820 0.161 0.000 2.604 345 A HA 0.632 4.961 4.320 0.014 0.000 0.295 345 A C -1.138 176.452 177.584 0.010 0.000 1.067 345 A CA -0.845 51.207 52.037 0.024 0.000 0.683 345 A CB 1.772 20.729 19.000 -0.072 0.000 1.281 345 A HN 0.533 nan 8.150 nan 0.000 0.407 346 E N 0.500 120.674 120.200 -0.044 0.000 2.210 346 E HA 0.608 4.966 4.350 0.014 0.000 0.266 346 E C -1.179 175.346 176.600 -0.126 0.000 0.883 346 E CA -0.171 56.203 56.400 -0.044 0.000 0.761 346 E CB 2.113 31.813 29.700 0.001 0.000 1.156 346 E HN 0.519 nan 8.360 nan 0.000 0.412 347 I N 2.667 123.165 120.570 -0.119 0.000 2.321 347 I HA 0.252 4.430 4.170 0.014 0.000 0.291 347 I C -0.262 175.795 176.117 -0.100 0.000 0.998 347 I CA -0.260 60.933 61.300 -0.178 0.000 1.227 347 I CB 0.981 38.905 38.000 -0.126 0.000 1.368 347 I HN 0.366 nan 8.210 nan 0.000 0.466 348 E N 5.052 125.185 120.200 -0.111 0.000 2.255 348 E HA 0.371 4.730 4.350 0.014 0.000 0.256 348 E C -0.088 176.501 176.600 -0.019 0.000 0.887 348 E CA -0.221 56.151 56.400 -0.047 0.000 0.782 348 E CB 1.906 31.580 29.700 -0.043 0.000 1.214 348 E HN 0.711 nan 8.360 nan 0.000 0.417 349 S N 3.701 119.414 115.700 0.021 0.000 4.114 349 S HA -0.283 4.195 4.470 0.014 0.000 0.618 349 S C 0.662 175.336 174.600 0.124 0.000 1.937 349 S CA 1.944 60.178 58.200 0.057 0.000 4.228 349 S CB -0.934 62.289 63.200 0.039 0.000 0.216 349 S HN 0.871 nan 8.310 nan 0.000 0.528 350 N N 1.893 120.680 118.700 0.144 0.000 2.327 350 N HA 0.287 5.035 4.740 0.014 0.000 0.231 350 N C -0.316 175.398 175.510 0.340 0.000 1.130 350 N CA 0.441 53.661 53.050 0.284 0.000 0.845 350 N CB 0.070 38.662 38.487 0.175 0.000 1.073 350 N HN 0.466 nan 8.380 nan 0.000 0.496 351 T N -0.313 114.283 114.554 0.070 0.000 2.906 351 T HA 0.432 4.791 4.350 0.014 0.000 0.295 351 T C -1.124 173.247 174.700 -0.548 0.000 1.061 351 T CA -0.682 61.325 62.100 -0.154 0.000 1.000 351 T CB 2.711 71.534 68.868 -0.076 0.000 1.103 351 T HN -0.042 nan 8.240 nan 0.000 0.486 352 V N 3.525 123.061 119.914 -0.630 0.000 2.483 352 V HA 0.631 4.759 4.120 0.014 0.000 0.297 352 V C -1.235 174.668 176.094 -0.318 0.000 1.027 352 V CA -0.865 61.081 62.300 -0.589 0.000 0.855 352 V CB 0.863 32.226 31.823 -0.768 0.000 0.995 352 V HN 0.807 nan 8.190 nan 0.000 0.424 353 I N 7.130 127.541 120.570 -0.265 0.000 2.315 353 I HA 0.421 4.600 4.170 0.014 0.000 0.291 353 I C -0.073 175.800 176.117 -0.406 0.000 1.006 353 I CA 0.087 61.223 61.300 -0.273 0.000 1.265 353 I CB 0.888 38.773 38.000 -0.192 0.000 1.387 353 I HN 0.526 nan 8.210 nan 0.000 0.475 354 C N 5.609 124.659 119.300 -0.418 0.000 2.355 354 C HA 0.484 4.952 4.460 0.014 0.000 0.332 354 C C -0.191 174.504 174.990 -0.491 0.000 1.255 354 C CA -0.651 58.145 59.018 -0.371 0.000 1.792 354 C CB 0.261 27.901 27.740 -0.166 0.000 2.300 354 C HN 0.609 nan 8.230 nan 0.000 0.515 355 H N 1.440 120.528 119.070 0.029 0.000 2.792 355 H HA 0.305 4.869 4.556 0.013 0.000 0.298 355 H C 0.508 175.865 175.328 0.049 0.000 1.042 355 H CA -0.074 56.004 56.048 0.050 0.000 1.300 355 H CB 1.087 30.899 29.762 0.083 0.000 1.431 355 H HN 0.937 nan 8.280 nan 0.000 0.496 356 G N 2.083 110.937 108.800 0.091 0.000 2.353 356 G HA2 0.280 4.249 3.960 0.014 0.000 0.239 356 G HA3 0.280 4.249 3.960 0.014 0.000 0.239 356 G C 0.498 175.418 174.900 0.033 0.000 1.295 356 G CA -0.153 44.971 45.100 0.039 0.000 0.884 356 G HN 0.442 nan 8.290 nan 0.000 0.537 357 V N 0.245 120.140 119.914 -0.032 0.000 2.881 357 V HA 0.555 4.683 4.120 0.014 0.000 0.316 357 V C 1.058 177.131 176.094 -0.036 0.000 1.070 357 V CA -0.626 61.641 62.300 -0.056 0.000 0.976 357 V CB 1.986 33.698 31.823 -0.185 0.000 1.038 357 V HN 0.841 nan 8.190 nan 0.000 0.446 358 E N 1.619 121.805 120.200 -0.022 0.000 2.072 358 E HA -0.031 4.327 4.350 0.014 0.000 0.191 358 E C 0.518 177.105 176.600 -0.023 0.000 0.985 358 E CA 1.334 57.726 56.400 -0.014 0.000 0.801 358 E CB 0.228 29.926 29.700 -0.003 0.000 0.750 358 E HN 0.820 nan 8.360 nan 0.000 0.452 359 K N -0.488 119.893 120.400 -0.033 0.000 2.523 359 K HA 0.368 4.696 4.320 0.014 0.000 0.257 359 K C -1.046 175.528 176.600 -0.045 0.000 0.932 359 K CA -0.731 55.537 56.287 -0.032 0.000 0.812 359 K CB 1.438 33.927 32.500 -0.019 0.000 1.326 359 K HN -0.081 nan 8.250 nan 0.000 0.433 360 L N 1.065 122.264 121.223 -0.040 0.000 2.400 360 L HA 0.473 4.822 4.340 0.014 0.000 0.264 360 L C -0.145 176.709 176.870 -0.026 0.000 1.061 360 L CA -1.040 53.775 54.840 -0.042 0.000 0.799 360 L CB 1.876 43.914 42.059 -0.036 0.000 1.240 360 L HN 0.725 nan 8.230 nan 0.000 0.461 361 S N -0.603 115.084 115.700 -0.021 0.000 2.500 361 S HA 0.510 4.988 4.470 0.014 0.000 0.301 361 S C 0.075 174.672 174.600 -0.005 0.000 1.092 361 S CA -0.702 57.492 58.200 -0.010 0.000 1.030 361 S CB 1.764 64.960 63.200 -0.006 0.000 1.031 361 S HN 0.778 nan 8.310 nan 0.000 0.483 362 G N 1.216 110.015 108.800 -0.001 0.000 2.484 362 G HA2 0.495 4.463 3.960 0.014 0.000 0.235 362 G HA3 0.495 4.463 3.960 0.014 0.000 0.235 362 G C -0.207 174.698 174.900 0.008 0.000 1.282 362 G CA 0.200 45.303 45.100 0.004 0.000 0.857 362 G HN 1.018 nan 8.290 nan 0.000 0.571 363 A N 1.365 124.193 122.820 0.013 0.000 2.581 363 A HA 0.683 5.011 4.320 0.014 0.000 0.290 363 A C -0.604 176.994 177.584 0.022 0.000 1.119 363 A CA -0.726 51.321 52.037 0.016 0.000 0.670 363 A CB 1.006 20.015 19.000 0.015 0.000 1.280 363 A HN 0.624 nan 8.150 nan 0.000 0.425 364 Q N 0.581 120.395 119.800 0.023 0.000 2.322 364 Q HA 0.505 4.853 4.340 0.014 0.000 0.256 364 Q C -0.365 175.653 176.000 0.029 0.000 0.960 364 Q CA -0.480 55.340 55.803 0.028 0.000 0.934 364 Q CB 1.376 30.129 28.738 0.026 0.000 1.200 364 Q HN 0.860 nan 8.270 nan 0.000 0.435 365 V N -0.128 119.807 119.914 0.034 0.000 3.102 365 V HA 0.798 4.926 4.120 0.014 0.000 0.312 365 V C -0.709 175.408 176.094 0.038 0.000 1.135 365 V CA -1.043 61.279 62.300 0.036 0.000 1.022 365 V CB 2.586 34.432 31.823 0.038 0.000 1.056 365 V HN 0.731 nan 8.190 nan 0.000 0.436 366 M N 2.003 121.627 119.600 0.039 0.000 2.414 366 M HA 0.834 5.322 4.480 0.014 0.000 0.287 366 M C -1.645 174.672 176.300 0.029 0.000 1.181 366 M CA -0.199 55.122 55.300 0.034 0.000 0.933 366 M CB 1.817 34.440 32.600 0.038 0.000 1.732 366 M HN 1.485 nan 8.290 nan 0.000 0.486 367 A N 2.159 124.982 122.820 0.005 0.000 2.455 367 A HA 0.650 4.978 4.320 0.014 0.000 0.300 367 A C 0.446 177.954 177.584 -0.127 0.000 1.040 367 A CA 0.095 52.115 52.037 -0.027 0.000 0.697 367 A CB 1.098 20.090 19.000 -0.013 0.000 1.265 367 A HN 0.939 nan 8.150 nan 0.000 0.407 368 T N -1.085 113.353 114.554 -0.193 0.000 2.978 368 T HA 0.045 4.403 4.350 0.014 0.000 0.262 368 T C 0.528 174.769 174.700 -0.764 0.000 1.063 368 T CA 1.215 63.031 62.100 -0.473 0.000 1.140 368 T CB -0.502 68.217 68.868 -0.248 0.000 0.886 368 T HN 0.688 nan 8.240 nan 0.000 0.470 369 D N 0.662 120.833 120.400 -0.382 0.000 2.390 369 D HA 0.134 4.783 4.640 0.014 0.000 0.249 369 D C 1.359 177.509 176.300 -0.250 0.000 1.144 369 D CA -0.315 53.505 54.000 -0.300 0.000 0.880 369 D CB 0.511 41.196 40.800 -0.191 0.000 1.182 369 D HN 0.059 nan 8.370 nan 0.000 0.451 370 L N 3.975 125.097 121.223 -0.168 0.000 2.010 370 L HA -0.267 4.082 4.340 0.014 0.000 0.219 370 L C 2.069 178.955 176.870 0.028 0.000 1.077 370 L CA 1.511 56.343 54.840 -0.013 0.000 0.773 370 L CB -0.173 41.911 42.059 0.041 0.000 0.892 370 L HN 0.571 nan 8.230 nan 0.000 0.436 371 R N -0.306 120.187 120.500 -0.011 0.000 2.090 371 R HA -0.032 4.317 4.340 0.014 0.000 0.228 371 R C 2.138 178.371 176.300 -0.113 0.000 1.110 371 R CA 1.294 57.392 56.100 -0.005 0.000 0.973 371 R CB -1.091 29.192 30.300 -0.029 0.000 0.869 371 R HN 0.473 nan 8.270 nan 0.000 0.440 372 A N 0.585 123.287 122.820 -0.196 0.000 1.898 372 A HA -0.151 4.177 4.320 0.014 0.000 0.216 372 A C 2.418 179.917 177.584 -0.141 0.000 1.181 372 A CA 1.916 53.770 52.037 -0.305 0.000 0.620 372 A CB -0.641 18.193 19.000 -0.276 0.000 0.819 372 A HN 0.333 nan 8.150 nan 0.000 0.442 373 S N -0.336 115.302 115.700 -0.104 0.000 2.356 373 S HA -0.067 4.411 4.470 0.014 0.000 0.223 373 S C 2.203 176.765 174.600 -0.063 0.000 1.032 373 S CA 1.640 59.805 58.200 -0.058 0.000 1.005 373 S CB -0.504 62.665 63.200 -0.051 0.000 0.867 373 S HN 0.834 nan 8.310 nan 0.000 0.449 374 A N 0.669 123.421 122.820 -0.113 0.000 1.940 374 A HA -0.040 4.289 4.320 0.014 0.000 0.219 374 A C 2.380 179.867 177.584 -0.162 0.000 1.176 374 A CA 2.115 54.018 52.037 -0.224 0.000 0.631 374 A CB -1.040 17.712 19.000 -0.413 0.000 0.814 374 A HN 0.585 nan 8.150 nan 0.000 0.446 375 S N -0.168 115.466 115.700 -0.110 0.000 2.402 375 S HA -0.035 4.443 4.470 0.014 0.000 0.229 375 S C 1.724 176.314 174.600 -0.017 0.000 1.021 375 S CA 1.208 59.370 58.200 -0.063 0.000 0.974 375 S CB -0.371 62.802 63.200 -0.044 0.000 0.800 375 S HN 0.524 nan 8.310 nan 0.000 0.484 376 L N 0.882 122.104 121.223 -0.001 0.000 2.141 376 L HA -0.040 4.308 4.340 0.014 0.000 0.209 376 L C 2.244 179.117 176.870 0.005 0.000 1.094 376 L CA 0.667 55.522 54.840 0.026 0.000 0.763 376 L CB -0.552 41.533 42.059 0.042 0.000 0.908 376 L HN 0.209 nan 8.230 nan 0.000 0.437 377 V N 0.173 120.077 119.914 -0.016 0.000 2.307 377 V HA -0.267 3.861 4.120 0.014 0.000 0.245 377 V C 2.390 178.443 176.094 -0.068 0.000 1.045 377 V CA 1.488 63.768 62.300 -0.033 0.000 1.024 377 V CB -0.298 31.491 31.823 -0.058 0.000 0.651 377 V HN 0.342 nan 8.190 nan 0.000 0.449 378 L N 0.126 121.296 121.223 -0.088 0.000 2.083 378 L HA -0.176 4.172 4.340 0.014 0.000 0.209 378 L C 2.748 179.589 176.870 -0.048 0.000 1.083 378 L CA 1.597 56.387 54.840 -0.082 0.000 0.752 378 L CB -0.900 41.101 42.059 -0.097 0.000 0.899 378 L HN 0.379 nan 8.230 nan 0.000 0.433 379 A N 0.551 123.353 122.820 -0.029 0.000 1.902 379 A HA -0.131 4.197 4.320 0.014 0.000 0.217 379 A C 2.425 179.999 177.584 -0.016 0.000 1.181 379 A CA 1.724 53.752 52.037 -0.015 0.000 0.623 379 A CB -1.237 17.766 19.000 0.005 0.000 0.818 379 A HN 0.442 nan 8.150 nan 0.000 0.443 380 G N -0.963 107.828 108.800 -0.015 0.000 2.450 380 G HA2 -0.269 3.699 3.960 0.014 0.000 0.220 380 G HA3 -0.269 3.699 3.960 0.014 0.000 0.220 380 G C 1.527 176.413 174.900 -0.023 0.000 1.130 380 G CA 1.303 46.396 45.100 -0.012 0.000 0.760 380 G HN 0.531 nan 8.290 nan 0.000 0.557 381 C N 0.715 119.994 119.300 -0.035 0.000 2.422 381 C HA 0.028 4.497 4.460 0.014 0.000 0.279 381 C C 2.652 177.627 174.990 -0.026 0.000 1.305 381 C CA 0.900 59.896 59.018 -0.036 0.000 1.757 381 C CB -0.899 26.816 27.740 -0.042 0.000 1.962 381 C HN 0.665 nan 8.230 nan 0.000 0.499 382 I N -1.084 119.471 120.570 -0.024 0.000 3.968 382 I HA 0.359 4.537 4.170 0.014 0.000 0.328 382 I C 1.121 177.228 176.117 -0.018 0.000 1.290 382 I CA -0.070 61.217 61.300 -0.021 0.000 1.163 382 I CB -0.445 37.541 38.000 -0.023 0.000 1.024 382 I HN 0.065 nan 8.210 nan 0.000 0.413 383 A N 1.917 124.727 122.820 -0.017 0.000 2.346 383 A HA 0.314 4.643 4.320 0.014 0.000 0.252 383 A C 0.139 177.717 177.584 -0.011 0.000 1.089 383 A CA -0.259 51.770 52.037 -0.015 0.000 0.797 383 A CB 0.201 19.194 19.000 -0.012 0.000 1.047 383 A HN 0.312 nan 8.150 nan 0.000 0.494 384 E N 0.474 120.668 120.200 -0.010 0.000 2.223 384 E HA 0.454 4.812 4.350 0.014 0.000 0.282 384 E C 0.810 177.408 176.600 -0.003 0.000 1.046 384 E CA 1.134 57.530 56.400 -0.006 0.000 0.857 384 E CB 0.586 30.283 29.700 -0.006 0.000 1.055 384 E HN 1.340 nan 8.360 nan 0.000 0.409 385 G N 3.322 112.121 108.800 -0.002 0.000 2.466 385 G HA2 -0.212 3.756 3.960 0.014 0.000 0.218 385 G HA3 -0.212 3.756 3.960 0.014 0.000 0.218 385 G C -0.436 174.465 174.900 0.002 0.000 1.237 385 G CA -0.431 44.669 45.100 0.001 0.000 0.954 385 G HN 0.480 nan 8.290 nan 0.000 0.580 386 T N 1.288 115.846 114.554 0.006 0.000 2.794 386 T HA 0.677 5.035 4.350 0.014 0.000 0.280 386 T C -0.150 174.559 174.700 0.015 0.000 0.987 386 T CA 0.378 62.484 62.100 0.011 0.000 0.993 386 T CB 1.471 70.347 68.868 0.014 0.000 0.939 386 T HN 0.738 nan 8.240 nan 0.000 0.449 387 T N 2.872 117.437 114.554 0.018 0.000 2.807 387 T HA 0.529 4.887 4.350 0.014 0.000 0.279 387 T C -0.472 174.252 174.700 0.041 0.000 0.993 387 T CA -0.511 61.604 62.100 0.025 0.000 0.970 387 T CB 1.180 70.060 68.868 0.020 0.000 0.950 387 T HN 0.311 nan 8.240 nan 0.000 0.441 388 V N 4.135 124.076 119.914 0.045 0.000 2.350 388 V HA 0.378 4.506 4.120 0.014 0.000 0.285 388 V C -0.159 175.971 176.094 0.061 0.000 1.014 388 V CA -0.783 61.552 62.300 0.058 0.000 0.831 388 V CB 1.495 33.345 31.823 0.045 0.000 1.000 388 V HN 0.713 nan 8.190 nan 0.000 0.433 389 V N 4.004 123.970 119.914 0.087 0.000 2.350 389 V HA 0.361 4.489 4.120 0.014 0.000 0.276 389 V C -0.002 176.117 176.094 0.042 0.000 1.028 389 V CA -0.354 61.991 62.300 0.075 0.000 0.860 389 V CB 1.511 33.403 31.823 0.115 0.000 0.990 389 V HN 0.866 nan 8.190 nan 0.000 0.453 390 D N 3.503 123.919 120.400 0.027 0.000 2.340 390 D HA 0.410 5.058 4.640 0.014 0.000 0.251 390 D C 0.601 176.904 176.300 0.004 0.000 1.080 390 D CA -0.444 53.564 54.000 0.014 0.000 0.971 390 D CB 0.697 41.516 40.800 0.031 0.000 1.137 390 D HN 0.487 nan 8.370 nan 0.000 0.475 391 R N 1.260 121.771 120.500 0.018 0.000 3.264 391 R HA -0.194 4.154 4.340 0.014 0.000 0.251 391 R C 0.610 176.814 176.300 -0.159 0.000 0.971 391 R CA -0.111 56.005 56.100 0.026 0.000 0.658 391 R CB -1.760 28.592 30.300 0.086 0.000 1.095 391 R HN 0.390 nan 8.270 nan 0.000 0.443 392 I N 0.583 121.054 120.570 -0.165 0.000 3.176 392 I HA -0.187 3.992 4.170 0.014 0.000 0.275 392 I C 2.082 178.052 176.117 -0.245 0.000 1.298 392 I CA 0.791 61.923 61.300 -0.278 0.000 1.445 392 I CB -0.319 37.317 38.000 -0.606 0.000 1.075 392 I HN 0.422 nan 8.210 nan 0.000 0.482 393 Y N -1.361 118.802 120.300 -0.229 0.000 2.333 393 Y HA -0.233 4.324 4.550 0.012 0.000 0.290 393 Y C 2.356 178.154 175.900 -0.171 0.000 1.144 393 Y CA 1.373 59.341 58.100 -0.220 0.000 1.228 393 Y CB -1.379 36.926 38.460 -0.258 0.000 0.985 393 Y HN 0.257 nan 8.280 nan 0.000 0.542 394 H N 0.913 119.671 119.070 -0.520 0.000 2.321 394 H HA -0.133 4.431 4.556 0.013 0.000 0.300 394 H C 2.356 177.655 175.328 -0.048 0.000 1.087 394 H CA 2.052 57.935 56.048 -0.274 0.000 1.319 394 H CB -0.341 29.216 29.762 -0.341 0.000 1.379 394 H HN 0.452 nan 8.280 nan 0.000 0.501 395 I N 1.185 121.804 120.570 0.082 0.000 2.127 395 I HA -0.268 3.910 4.170 0.014 0.000 0.241 395 I C 2.103 178.345 176.117 0.208 0.000 1.075 395 I CA 1.354 62.751 61.300 0.163 0.000 1.334 395 I CB -0.287 37.762 38.000 0.081 0.000 1.040 395 I HN 0.098 nan 8.210 nan 0.000 0.405 396 D N 0.855 121.324 120.400 0.115 0.000 2.158 396 D HA -0.188 4.461 4.640 0.014 0.000 0.197 396 D C 2.279 178.656 176.300 0.129 0.000 0.995 396 D CA 1.323 55.398 54.000 0.124 0.000 0.846 396 D CB -0.289 40.551 40.800 0.068 0.000 0.941 396 D HN 0.365 nan 8.370 nan 0.000 0.456 397 R N -0.418 120.153 120.500 0.118 0.000 2.236 397 R HA 0.108 4.456 4.340 0.014 0.000 0.208 397 R C 2.003 178.356 176.300 0.090 0.000 1.036 397 R CA 0.931 57.090 56.100 0.099 0.000 1.001 397 R CB 0.144 30.505 30.300 0.102 0.000 0.896 397 R HN 0.137 nan 8.270 nan 0.000 0.464 398 G N -1.430 107.445 108.800 0.125 0.000 2.944 398 G HA2 0.058 4.027 3.960 0.014 0.000 0.223 398 G HA3 0.058 4.027 3.960 0.014 0.000 0.223 398 G C -0.354 174.510 174.900 -0.059 0.000 1.071 398 G CA -0.085 45.038 45.100 0.038 0.000 0.806 398 G HN 0.053 nan 8.290 nan 0.000 0.538 399 Y N 0.167 120.502 120.300 0.058 0.000 2.391 399 Y HA 0.433 4.994 4.550 0.020 0.000 0.341 399 Y C -0.226 175.729 175.900 0.092 0.000 0.965 399 Y CA -1.328 56.818 58.100 0.077 0.000 1.067 399 Y CB 2.012 40.521 38.460 0.081 0.000 1.199 399 Y HN 0.007 nan 8.280 nan 0.000 0.450 400 E N 4.908 125.243 120.200 0.225 0.000 2.003 400 E HA 0.156 4.514 4.350 0.014 0.000 0.279 400 E C -0.347 176.365 176.600 0.186 0.000 1.132 400 E CA -0.364 56.133 56.400 0.161 0.000 0.888 400 E CB 0.192 29.955 29.700 0.105 0.000 1.056 400 E HN 0.484 nan 8.360 nan 0.000 0.399 401 R N 3.740 124.347 120.500 0.178 0.000 3.022 401 R HA -0.234 4.114 4.340 0.014 0.000 0.248 401 R C 0.805 177.210 176.300 0.175 0.000 0.874 401 R CA 0.465 56.664 56.100 0.166 0.000 0.626 401 R CB -2.205 28.163 30.300 0.113 0.000 1.255 401 R HN 0.828 nan 8.270 nan 0.000 0.496 402 I N 1.236 121.931 120.570 0.208 0.000 2.361 402 I HA -0.278 3.900 4.170 0.014 0.000 0.251 402 I C 2.429 178.578 176.117 0.054 0.000 1.133 402 I CA 1.890 63.297 61.300 0.179 0.000 1.413 402 I CB 0.125 38.133 38.000 0.013 0.000 1.073 402 I HN 0.464 nan 8.210 nan 0.000 0.424 403 E N 0.462 120.633 120.200 -0.048 0.000 2.077 403 E HA -0.292 4.066 4.350 0.014 0.000 0.193 403 E C 1.320 177.880 176.600 -0.067 0.000 0.989 403 E CA 1.685 57.967 56.400 -0.198 0.000 0.800 403 E CB -0.639 28.901 29.700 -0.266 0.000 0.746 403 E HN 0.490 nan 8.360 nan 0.000 0.452 404 D N 1.472 121.873 120.400 0.002 0.000 2.144 404 D HA -0.071 4.577 4.640 0.014 0.000 0.200 404 D C 1.906 178.201 176.300 -0.010 0.000 0.978 404 D CA 1.191 55.192 54.000 0.002 0.000 0.833 404 D CB -0.109 40.704 40.800 0.022 0.000 0.961 404 D HN 0.292 nan 8.370 nan 0.000 0.470 405 K N 0.107 120.515 120.400 0.014 0.000 2.103 405 K HA 0.018 4.347 4.320 0.014 0.000 0.204 405 K C 2.282 178.866 176.600 -0.027 0.000 1.052 405 K CA 0.430 56.684 56.287 -0.055 0.000 0.945 405 K CB -0.041 32.390 32.500 -0.115 0.000 0.722 405 K HN 0.131 nan 8.250 nan 0.000 0.443 406 L N 0.721 121.987 121.223 0.073 0.000 2.056 406 L HA -0.146 4.202 4.340 0.014 0.000 0.207 406 L C 2.557 179.421 176.870 -0.011 0.000 1.078 406 L CA 1.108 55.988 54.840 0.067 0.000 0.749 406 L CB -0.313 41.756 42.059 0.017 0.000 0.901 406 L HN 0.145 nan 8.230 nan 0.000 0.433 407 R N 0.001 120.478 120.500 -0.037 0.000 2.091 407 R HA -0.162 4.187 4.340 0.014 0.000 0.238 407 R C 2.305 178.584 176.300 -0.035 0.000 1.136 407 R CA 1.460 57.536 56.100 -0.041 0.000 0.959 407 R CB -0.548 29.728 30.300 -0.041 0.000 0.856 407 R HN 0.349 nan 8.270 nan 0.000 0.437 408 A N 0.811 123.606 122.820 -0.041 0.000 2.125 408 A HA -0.082 4.247 4.320 0.014 0.000 0.219 408 A C 1.926 179.481 177.584 -0.048 0.000 1.156 408 A CA 1.036 53.044 52.037 -0.048 0.000 0.671 408 A CB -0.268 18.692 19.000 -0.066 0.000 0.794 408 A HN 0.203 nan 8.150 nan 0.000 0.459 409 L N -1.981 119.218 121.223 -0.040 0.000 2.607 409 L HA 0.269 4.618 4.340 0.014 0.000 0.228 409 L C 1.575 178.434 176.870 -0.018 0.000 1.123 409 L CA 0.575 55.398 54.840 -0.028 0.000 0.890 409 L CB 0.187 42.243 42.059 -0.005 0.000 1.103 409 L HN 0.541 nan 8.230 nan 0.000 0.468 410 G N -0.294 108.493 108.800 -0.022 0.000 2.192 410 G HA2 -0.186 3.783 3.960 0.014 0.000 0.193 410 G HA3 -0.186 3.783 3.960 0.014 0.000 0.193 410 G C 0.362 175.248 174.900 -0.022 0.000 0.999 410 G CA -0.182 44.906 45.100 -0.020 0.000 0.659 410 G HN 0.391 nan 8.290 nan 0.000 0.503 411 A N -0.066 122.738 122.820 -0.027 0.000 2.407 411 A HA 0.611 4.939 4.320 0.014 0.000 0.248 411 A C 0.334 177.890 177.584 -0.046 0.000 1.082 411 A CA 0.678 52.691 52.037 -0.040 0.000 0.785 411 A CB 0.246 19.213 19.000 -0.055 0.000 1.020 411 A HN 0.805 nan 8.150 nan 0.000 0.489 412 N N 1.128 119.801 118.700 -0.046 0.000 2.558 412 N HA 0.544 5.293 4.740 0.014 0.000 0.242 412 N C -1.083 174.394 175.510 -0.055 0.000 0.979 412 N CA -0.323 52.703 53.050 -0.040 0.000 0.931 412 N CB 0.397 38.869 38.487 -0.025 0.000 1.122 412 N HN 0.672 nan 8.380 nan 0.000 0.508 413 I N 1.576 122.101 120.570 -0.075 0.000 2.722 413 I HA 0.379 4.557 4.170 0.014 0.000 0.295 413 I C -1.606 174.475 176.117 -0.060 0.000 1.161 413 I CA -0.615 60.621 61.300 -0.107 0.000 1.032 413 I CB 1.980 39.828 38.000 -0.255 0.000 1.244 413 I HN 0.502 nan 8.210 nan 0.000 0.421 414 E N 7.688 127.896 120.200 0.012 0.000 2.234 414 E HA 0.360 4.718 4.350 0.014 0.000 0.266 414 E C -1.314 175.424 176.600 0.231 0.000 0.877 414 E CA -0.926 55.526 56.400 0.087 0.000 0.758 414 E CB 1.831 31.572 29.700 0.067 0.000 1.170 414 E HN 0.693 nan 8.360 nan 0.000 0.415 415 R N 3.389 124.044 120.500 0.257 0.000 2.340 415 R HA 0.315 4.663 4.340 0.014 0.000 0.300 415 R C -1.273 175.107 176.300 0.133 0.000 1.069 415 R CA -0.315 55.962 56.100 0.294 0.000 0.984 415 R CB 0.931 31.382 30.300 0.252 0.000 1.003 415 R HN 0.295 nan 8.270 nan 0.000 0.459 416 V N 6.227 126.190 119.914 0.081 0.000 2.350 416 V HA 0.145 4.273 4.120 0.014 0.000 0.285 416 V C 0.336 176.435 176.094 0.009 0.000 1.014 416 V CA -0.644 61.682 62.300 0.043 0.000 0.831 416 V CB 1.460 33.310 31.823 0.045 0.000 1.000 416 V HN 0.840 nan 8.190 nan 0.000 0.433 417 K N 3.298 123.704 120.400 0.010 0.000 2.057 417 K HA 0.093 4.421 4.320 0.014 0.000 0.206 417 K C 1.383 177.979 176.600 -0.005 0.000 1.050 417 K CA 1.078 57.363 56.287 -0.003 0.000 0.935 417 K CB -0.381 32.120 32.500 0.002 0.000 0.715 417 K HN 0.805 nan 8.250 nan 0.000 0.439 418 G N 0.230 109.031 108.800 0.002 0.000 2.684 418 G HA2 0.134 4.102 3.960 0.014 0.000 0.255 418 G HA3 0.134 4.102 3.960 0.014 0.000 0.255 418 G C -0.563 174.338 174.900 0.001 0.000 1.219 418 G CA -0.364 44.737 45.100 0.001 0.000 0.901 418 G HN 0.235 nan 8.290 nan 0.000 0.548 419 E N 0.000 120.202 120.200 0.003 0.000 2.725 419 E HA 0.000 4.358 4.350 0.014 0.000 0.291 419 E CA 0.000 56.404 56.400 0.006 0.000 0.976 419 E CB 0.000 29.703 29.700 0.004 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440