REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1q3g_1_J DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTAMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.044 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.628 32.600 0.047 0.000 1.302 2 D N 3.805 124.232 120.400 0.044 0.000 2.478 2 D HA 0.371 5.011 4.640 0.000 0.000 0.234 2 D C -0.361 175.945 176.300 0.010 0.000 1.154 2 D CA 0.928 54.950 54.000 0.037 0.000 0.874 2 D CB 0.715 41.532 40.800 0.029 0.000 1.198 2 D HN 0.527 nan 8.370 nan 0.000 0.455 3 K N 0.588 121.012 120.400 0.039 0.000 2.509 3 K HA 0.471 4.791 4.320 0.000 0.000 0.266 3 K C -0.911 175.821 176.600 0.220 0.000 0.987 3 K CA -0.775 55.536 56.287 0.040 0.000 0.868 3 K CB 1.955 34.492 32.500 0.061 0.000 1.421 3 K HN 0.294 nan 8.250 nan 0.000 0.444 4 F N 1.150 121.101 119.950 0.001 0.000 2.444 4 F HA 0.408 4.935 4.527 0.000 0.000 0.342 4 F C 0.234 176.031 175.800 -0.006 0.000 1.121 4 F CA -1.018 56.980 58.000 -0.005 0.000 0.997 4 F CB 1.912 40.902 39.000 -0.017 0.000 1.130 4 F HN 0.208 nan 8.300 nan 0.000 0.454 5 R N 3.925 124.512 120.500 0.145 0.000 2.215 5 R HA 0.516 4.856 4.340 0.000 0.000 0.337 5 R C -1.585 174.718 176.300 0.005 0.000 1.010 5 R CA -0.364 55.773 56.100 0.060 0.000 0.871 5 R CB 1.082 31.405 30.300 0.039 0.000 1.134 5 R HN 0.438 nan 8.270 nan 0.000 0.477 6 V N 4.491 124.413 119.914 0.012 0.000 2.459 6 V HA 0.318 4.438 4.120 0.000 0.000 0.295 6 V C -0.334 175.752 176.094 -0.013 0.000 1.029 6 V CA -0.878 61.411 62.300 -0.018 0.000 0.874 6 V CB 1.821 33.640 31.823 -0.007 0.000 0.985 6 V HN 0.661 nan 8.190 nan 0.000 0.438 7 Q N 2.886 122.672 119.800 -0.023 0.000 2.325 7 Q HA 0.669 5.009 4.340 0.000 0.000 0.262 7 Q C 0.094 176.083 176.000 -0.018 0.000 0.968 7 Q CA -0.148 55.644 55.803 -0.017 0.000 0.877 7 Q CB 2.434 31.160 28.738 -0.019 0.000 1.253 7 Q HN 0.970 nan 8.270 nan 0.000 0.448 8 G N 2.566 111.358 108.800 -0.013 0.000 2.798 8 G HA2 0.723 4.684 3.960 0.000 0.000 0.286 8 G HA3 0.723 4.684 3.960 0.000 0.000 0.286 8 G C -2.839 172.054 174.900 -0.010 0.000 1.389 8 G CA -1.219 43.873 45.100 -0.013 0.000 0.894 8 G HN 0.312 nan 8.290 nan 0.000 0.488 9 P HA 0.371 nan 4.420 nan 0.000 0.286 9 P C -0.743 176.551 177.300 -0.010 0.000 1.261 9 P CA -0.120 62.974 63.100 -0.010 0.000 0.821 9 P CB 1.629 33.324 31.700 -0.009 0.000 1.013 10 T N -0.662 113.885 114.554 -0.011 0.000 3.011 10 T HA 0.350 4.700 4.350 0.000 0.000 0.303 10 T C -0.184 174.512 174.700 -0.007 0.000 0.997 10 T CA -1.024 61.070 62.100 -0.010 0.000 1.007 10 T CB 1.204 70.064 68.868 -0.013 0.000 1.017 10 T HN 0.459 nan 8.240 nan 0.000 0.443 11 R N 3.724 124.221 120.500 -0.005 0.000 2.449 11 R HA 0.364 4.704 4.340 0.000 0.000 0.296 11 R C -0.736 175.564 176.300 -0.001 0.000 1.047 11 R CA -0.473 55.625 56.100 -0.004 0.000 1.018 11 R CB 0.203 30.501 30.300 -0.003 0.000 0.962 11 R HN 0.717 nan 8.270 nan 0.000 0.428 12 L N 5.826 127.052 121.223 0.005 0.000 2.264 12 L HA 0.325 4.665 4.340 0.000 0.000 0.289 12 L C -0.005 176.873 176.870 0.014 0.000 1.044 12 L CA -0.328 54.522 54.840 0.016 0.000 0.807 12 L CB 1.198 43.280 42.059 0.038 0.000 1.192 12 L HN 0.746 nan 8.230 nan 0.000 0.425 13 Q N 3.616 123.419 119.800 0.005 0.000 2.578 13 Q HA 0.710 5.050 4.340 0.000 0.000 0.284 13 Q C -0.619 175.370 176.000 -0.018 0.000 0.960 13 Q CA -0.013 55.788 55.803 -0.005 0.000 0.809 13 Q CB 2.449 31.180 28.738 -0.012 0.000 1.462 13 Q HN 0.701 nan 8.270 nan 0.000 0.392 14 G N 1.398 110.181 108.800 -0.027 0.000 2.204 14 G HA2 0.030 3.990 3.960 0.000 0.000 0.153 14 G HA3 0.030 3.990 3.960 0.000 0.000 0.153 14 G C -1.444 173.423 174.900 -0.055 0.000 1.295 14 G CA -0.112 44.963 45.100 -0.042 0.000 1.257 14 G HN 0.671 nan 8.290 nan 0.000 0.495 15 E N -1.477 118.678 120.200 -0.075 0.000 2.369 15 E HA 0.658 5.008 4.350 0.000 0.000 0.270 15 E C -1.535 174.977 176.600 -0.146 0.000 0.909 15 E CA -0.747 55.598 56.400 -0.092 0.000 0.775 15 E CB 3.227 32.877 29.700 -0.082 0.000 1.270 15 E HN 0.935 nan 8.360 nan 0.000 0.445 16 V N 0.829 120.638 119.914 -0.175 0.000 3.048 16 V HA 0.436 4.556 4.120 0.000 0.000 0.303 16 V C -1.548 174.442 176.094 -0.173 0.000 1.214 16 V CA -0.265 61.868 62.300 -0.279 0.000 0.984 16 V CB 2.497 33.935 31.823 -0.642 0.000 1.054 16 V HN 0.711 nan 8.190 nan 0.000 0.430 17 T N 7.375 121.845 114.554 -0.140 0.000 2.758 17 T HA 0.537 4.887 4.350 0.000 0.000 0.285 17 T C -0.187 174.492 174.700 -0.036 0.000 0.981 17 T CA -0.277 61.787 62.100 -0.060 0.000 0.965 17 T CB 0.678 69.524 68.868 -0.037 0.000 0.927 17 T HN 0.487 nan 8.240 nan 0.000 0.448 18 I N 3.192 123.767 120.570 0.007 0.000 2.588 18 I HA 0.143 4.313 4.170 0.000 0.000 0.283 18 I C 1.152 177.292 176.117 0.039 0.000 1.119 18 I CA 0.124 61.455 61.300 0.052 0.000 1.419 18 I CB 0.315 38.358 38.000 0.071 0.000 1.394 18 I HN 0.566 nan 8.210 nan 0.000 0.562 19 S N 3.963 119.694 115.700 0.052 0.000 2.681 19 S HA 0.512 4.982 4.470 0.000 0.000 0.270 19 S C 0.649 175.254 174.600 0.008 0.000 1.209 19 S CA -0.590 57.627 58.200 0.028 0.000 0.988 19 S CB 1.234 64.458 63.200 0.039 0.000 1.006 19 S HN 0.852 nan 8.310 nan 0.000 0.558 20 G N 0.191 108.985 108.800 -0.010 0.000 2.554 20 G HA2 0.428 4.388 3.960 0.000 0.000 0.238 20 G HA3 0.428 4.388 3.960 0.000 0.000 0.238 20 G C -0.042 174.843 174.900 -0.025 0.000 1.259 20 G CA -0.317 44.769 45.100 -0.024 0.000 0.843 20 G HN 0.896 nan 8.290 nan 0.000 0.582 21 A N 1.468 124.272 122.820 -0.026 0.000 2.491 21 A HA 0.268 4.588 4.320 0.000 0.000 0.261 21 A C 1.636 179.203 177.584 -0.028 0.000 1.101 21 A CA 0.308 52.327 52.037 -0.030 0.000 0.772 21 A CB 0.289 19.273 19.000 -0.027 0.000 1.043 21 A HN 0.930 nan 8.150 nan 0.000 0.501 22 K N 2.579 122.958 120.400 -0.035 0.000 2.032 22 K HA -0.181 4.139 4.320 0.000 0.000 0.209 22 K C 0.516 177.135 176.600 0.032 0.000 1.048 22 K CA 1.988 58.267 56.287 -0.013 0.000 0.927 22 K CB -0.131 32.346 32.500 -0.039 0.000 0.712 22 K HN 0.712 nan 8.250 nan 0.000 0.441 23 N N 0.078 118.799 118.700 0.035 0.000 2.501 23 N HA 0.013 4.753 4.740 0.000 0.000 0.195 23 N C 0.565 176.101 175.510 0.044 0.000 1.213 23 N CA 0.747 53.853 53.050 0.093 0.000 0.864 23 N CB 0.832 39.377 38.487 0.097 0.000 0.999 23 N HN 0.379 nan 8.380 nan 0.000 0.454 24 A N -0.125 122.691 122.820 -0.007 0.000 1.997 24 A HA 0.458 4.778 4.320 0.000 0.000 0.198 24 A C 2.111 179.641 177.584 -0.091 0.000 1.449 24 A CA 0.653 52.657 52.037 -0.055 0.000 0.908 24 A CB -0.353 18.628 19.000 -0.033 0.000 0.984 24 A HN 0.178 nan 8.150 nan 0.000 0.487 25 A N 0.421 123.204 122.820 -0.061 0.000 1.902 25 A HA -0.020 4.300 4.320 0.000 0.000 0.217 25 A C 2.111 179.654 177.584 -0.069 0.000 1.181 25 A CA 1.518 53.502 52.037 -0.090 0.000 0.623 25 A CB -0.705 18.259 19.000 -0.060 0.000 0.818 25 A HN 0.437 nan 8.150 nan 0.000 0.443 26 L N -0.048 121.201 121.223 0.043 0.000 1.994 26 L HA -0.121 4.219 4.340 0.000 0.000 0.208 26 L C -0.202 176.781 176.870 0.189 0.000 1.071 26 L CA 1.862 56.828 54.840 0.210 0.000 0.745 26 L CB -1.423 40.895 42.059 0.431 0.000 0.892 26 L HN 0.312 nan 8.230 nan 0.000 0.431 27 P HA -0.160 nan 4.420 nan 0.000 0.221 27 P C 1.793 178.918 177.300 -0.292 0.000 1.150 27 P CA 1.579 64.305 63.100 -0.622 0.000 0.800 27 P CB 0.064 31.139 31.700 -1.041 0.000 0.787 28 I N -0.744 119.655 120.570 -0.284 0.000 2.353 28 I HA -0.163 4.008 4.170 0.000 0.000 0.248 28 I C 2.605 178.490 176.117 -0.386 0.000 1.119 28 I CA 0.913 61.940 61.300 -0.454 0.000 1.417 28 I CB -0.483 37.088 38.000 -0.716 0.000 1.078 28 I HN -0.151 nan 8.210 nan 0.000 0.421 29 L N -0.393 120.680 121.223 -0.249 0.000 2.083 29 L HA -0.206 4.135 4.340 0.000 0.000 0.209 29 L C 2.389 179.161 176.870 -0.163 0.000 1.083 29 L CA 1.557 56.261 54.840 -0.226 0.000 0.752 29 L CB -0.467 41.437 42.059 -0.258 0.000 0.899 29 L HN 0.148 nan 8.230 nan 0.000 0.433 30 F N -0.454 119.488 119.950 -0.013 0.000 2.259 30 F HA -0.096 4.431 4.527 0.000 0.000 0.298 30 F C 2.550 178.390 175.800 0.067 0.000 1.088 30 F CA 0.872 58.910 58.000 0.063 0.000 1.358 30 F CB -0.440 38.636 39.000 0.127 0.000 1.040 30 F HN -0.008 nan 8.300 nan 0.000 0.505 31 A N 0.110 123.049 122.820 0.198 0.000 2.019 31 A HA -0.085 4.235 4.320 0.000 0.000 0.219 31 A C 2.344 180.098 177.584 0.283 0.000 1.164 31 A CA 1.429 53.595 52.037 0.214 0.000 0.644 31 A CB -1.140 18.010 19.000 0.251 0.000 0.805 31 A HN 0.292 nan 8.150 nan 0.000 0.449 32 A N -0.276 122.719 122.820 0.291 0.000 2.076 32 A HA -0.032 4.288 4.320 0.000 0.000 0.220 32 A C 1.953 179.649 177.584 0.187 0.000 1.160 32 A CA 1.246 53.449 52.037 0.276 0.000 0.653 32 A CB -0.592 18.516 19.000 0.180 0.000 0.801 32 A HN 0.502 nan 8.150 nan 0.000 0.455 33 L N -0.836 120.503 121.223 0.192 0.000 2.353 33 L HA -0.138 4.202 4.340 0.000 0.000 0.220 33 L C 2.028 179.035 176.870 0.228 0.000 1.133 33 L CA 0.630 55.608 54.840 0.229 0.000 0.798 33 L CB -0.301 41.926 42.059 0.281 0.000 0.922 33 L HN 0.430 nan 8.230 nan 0.000 0.445 34 L N -0.678 120.636 121.223 0.151 0.000 2.341 34 L HA 0.115 4.455 4.340 0.000 0.000 0.214 34 L C 1.370 178.254 176.870 0.023 0.000 1.115 34 L CA -0.352 54.526 54.840 0.064 0.000 0.820 34 L CB -0.317 41.756 42.059 0.023 0.000 0.944 34 L HN 0.106 nan 8.230 nan 0.000 0.452 35 A N 0.463 123.314 122.820 0.052 0.000 2.454 35 A HA 0.101 4.421 4.320 0.000 0.000 0.260 35 A C 0.982 178.596 177.584 0.050 0.000 1.106 35 A CA -0.164 51.890 52.037 0.027 0.000 0.780 35 A CB 0.201 19.231 19.000 0.049 0.000 1.044 35 A HN 0.312 nan 8.150 nan 0.000 0.498 36 E N 1.431 121.643 120.200 0.020 0.000 2.400 36 E HA -0.001 4.349 4.350 0.000 0.000 0.195 36 E C -0.100 176.527 176.600 0.044 0.000 1.012 36 E CA 0.520 56.940 56.400 0.034 0.000 0.875 36 E CB 0.384 30.087 29.700 0.004 0.000 0.859 36 E HN 0.841 nan 8.360 nan 0.000 0.498 37 E N 0.835 121.058 120.200 0.038 0.000 2.263 37 E HA 0.286 4.636 4.350 0.000 0.000 0.264 37 E C -2.654 173.987 176.600 0.068 0.000 0.923 37 E CA -2.541 53.886 56.400 0.046 0.000 0.802 37 E CB 1.547 31.266 29.700 0.031 0.000 1.228 37 E HN -0.175 nan 8.360 nan 0.000 0.417 38 P HA -0.079 nan 4.420 nan 0.000 0.264 38 P C -1.128 176.249 177.300 0.128 0.000 1.179 38 P CA 0.330 63.499 63.100 0.115 0.000 0.763 38 P CB 0.415 32.188 31.700 0.123 0.000 0.806 39 V N 2.823 122.827 119.914 0.151 0.000 2.656 39 V HA 0.373 4.493 4.120 0.000 0.000 0.307 39 V C -0.054 176.101 176.094 0.103 0.000 1.051 39 V CA -0.482 61.910 62.300 0.154 0.000 0.893 39 V CB 2.039 33.987 31.823 0.209 0.000 0.999 39 V HN 0.483 nan 8.190 nan 0.000 0.426 40 E N 4.049 124.274 120.200 0.042 0.000 2.185 40 E HA 0.530 4.880 4.350 0.000 0.000 0.261 40 E C -1.488 175.003 176.600 -0.181 0.000 0.879 40 E CA -0.549 55.720 56.400 -0.218 0.000 0.756 40 E CB 1.451 31.018 29.700 -0.221 0.000 1.152 40 E HN 0.653 nan 8.360 nan 0.000 0.416 41 I N 4.660 125.061 120.570 -0.282 0.000 2.307 41 I HA 0.169 4.339 4.170 0.000 0.000 0.289 41 I C 0.294 176.241 176.117 -0.283 0.000 1.021 41 I CA -0.493 60.681 61.300 -0.210 0.000 1.224 41 I CB 1.331 39.187 38.000 -0.241 0.000 1.376 41 I HN 0.386 nan 8.210 nan 0.000 0.470 42 Q N 3.995 123.669 119.800 -0.209 0.000 2.212 42 Q HA 0.271 4.611 4.340 0.000 0.000 0.238 42 Q C 0.410 176.319 176.000 -0.151 0.000 0.955 42 Q CA -0.708 54.971 55.803 -0.207 0.000 0.906 42 Q CB 0.669 29.309 28.738 -0.164 0.000 1.215 42 Q HN 0.579 nan 8.270 nan 0.000 0.478 43 N N -0.689 117.935 118.700 -0.126 0.000 2.735 43 N HA -0.168 4.572 4.740 0.000 0.000 0.248 43 N C -1.616 173.847 175.510 -0.079 0.000 1.083 43 N CA 0.261 53.260 53.050 -0.086 0.000 0.703 43 N CB -0.919 37.521 38.487 -0.078 0.000 1.005 43 N HN 0.331 nan 8.380 nan 0.000 0.550 44 V N 1.687 121.543 119.914 -0.096 0.000 2.432 44 V HA 0.355 4.475 4.120 0.000 0.000 0.271 44 V C -1.378 174.689 176.094 -0.046 0.000 1.046 44 V CA -1.037 61.214 62.300 -0.081 0.000 0.945 44 V CB 1.081 32.839 31.823 -0.108 0.000 0.992 44 V HN 0.211 nan 8.190 nan 0.000 0.471 45 P HA 0.161 nan 4.420 nan 0.000 0.272 45 P C -0.779 176.523 177.300 0.004 0.000 1.223 45 P CA -0.468 62.629 63.100 -0.005 0.000 0.784 45 P CB 0.878 32.575 31.700 -0.005 0.000 0.923 46 K N 2.634 123.047 120.400 0.023 0.000 2.206 46 K HA 0.393 4.713 4.320 0.000 0.000 0.268 46 K C -0.192 176.433 176.600 0.042 0.000 1.111 46 K CA -0.200 56.105 56.287 0.031 0.000 0.955 46 K CB -0.072 32.452 32.500 0.040 0.000 1.406 46 K HN 0.424 nan 8.250 nan 0.000 0.427 47 L N 1.221 122.465 121.223 0.034 0.000 2.333 47 L HA 0.359 4.699 4.340 0.000 0.000 0.263 47 L C 1.375 178.269 176.870 0.040 0.000 1.014 47 L CA -1.070 53.795 54.840 0.043 0.000 0.820 47 L CB 1.353 43.432 42.059 0.032 0.000 1.352 47 L HN 0.294 nan 8.230 nan 0.000 0.421 48 K N 0.699 121.128 120.400 0.047 0.000 2.103 48 K HA -0.167 4.153 4.320 0.000 0.000 0.207 48 K C 1.041 177.662 176.600 0.035 0.000 1.048 48 K CA 1.701 58.011 56.287 0.039 0.000 0.930 48 K CB 0.098 32.626 32.500 0.046 0.000 0.716 48 K HN 0.615 nan 8.250 nan 0.000 0.444 49 D N 0.579 121.005 120.400 0.044 0.000 2.219 49 D HA -0.117 4.523 4.640 0.000 0.000 0.205 49 D C 1.844 178.175 176.300 0.051 0.000 0.970 49 D CA 0.533 54.566 54.000 0.055 0.000 0.851 49 D CB 0.057 40.899 40.800 0.070 0.000 0.943 49 D HN 0.159 nan 8.370 nan 0.000 0.488 50 I N 1.363 121.952 120.570 0.032 0.000 2.353 50 I HA -0.168 4.002 4.170 0.000 0.000 0.248 50 I C 1.669 177.784 176.117 -0.003 0.000 1.119 50 I CA 1.041 62.346 61.300 0.007 0.000 1.417 50 I CB -0.736 37.263 38.000 -0.002 0.000 1.078 50 I HN -0.051 nan 8.210 nan 0.000 0.421 51 D N 0.687 121.092 120.400 0.009 0.000 2.097 51 D HA -0.130 4.510 4.640 0.000 0.000 0.195 51 D C 2.135 178.436 176.300 0.001 0.000 0.989 51 D CA 1.616 55.619 54.000 0.005 0.000 0.827 51 D CB -0.305 40.502 40.800 0.011 0.000 0.966 51 D HN 0.244 nan 8.370 nan 0.000 0.456 52 T N 0.517 115.078 114.554 0.012 0.000 2.746 52 T HA -0.111 4.239 4.350 0.000 0.000 0.267 52 T C 2.026 176.738 174.700 0.020 0.000 1.039 52 T CA 1.615 63.727 62.100 0.019 0.000 1.142 52 T CB -0.446 68.441 68.868 0.032 0.000 0.866 52 T HN 0.148 nan 8.240 nan 0.000 0.444 53 T N 2.100 116.658 114.554 0.006 0.000 2.746 53 T HA 0.008 4.358 4.350 0.000 0.000 0.267 53 T C 2.055 176.668 174.700 -0.145 0.000 1.039 53 T CA 1.109 63.154 62.100 -0.093 0.000 1.142 53 T CB -0.343 68.422 68.868 -0.172 0.000 0.866 53 T HN 0.320 nan 8.240 nan 0.000 0.444 54 M N 0.536 120.082 119.600 -0.090 0.000 2.159 54 M HA -0.075 4.405 4.480 0.000 0.000 0.263 54 M C 2.422 178.697 176.300 -0.042 0.000 1.063 54 M CA 1.474 56.733 55.300 -0.068 0.000 1.110 54 M CB -0.282 32.299 32.600 -0.032 0.000 1.374 54 M HN 0.079 nan 8.290 nan 0.000 0.411 55 K N 0.642 121.028 120.400 -0.023 0.000 2.148 55 K HA -0.128 4.192 4.320 0.000 0.000 0.204 55 K C 1.880 178.478 176.600 -0.004 0.000 1.050 55 K CA 0.972 57.254 56.287 -0.008 0.000 0.942 55 K CB -0.036 32.464 32.500 0.000 0.000 0.724 55 K HN 0.321 nan 8.250 nan 0.000 0.446 56 L N 0.760 121.983 121.223 0.000 0.000 2.068 56 L HA -0.115 4.225 4.340 0.000 0.000 0.204 56 L C 2.033 178.906 176.870 0.005 0.000 1.076 56 L CA 0.895 55.754 54.840 0.030 0.000 0.753 56 L CB -0.127 41.990 42.059 0.097 0.000 0.910 56 L HN 0.200 nan 8.230 nan 0.000 0.439 57 L N -0.501 120.693 121.223 -0.048 0.000 2.012 57 L HA -0.255 4.085 4.340 0.000 0.000 0.210 57 L C 2.529 179.380 176.870 -0.031 0.000 1.073 57 L CA 1.981 56.789 54.840 -0.052 0.000 0.748 57 L CB -1.022 40.976 42.059 -0.101 0.000 0.891 57 L HN 0.292 nan 8.230 nan 0.000 0.431 58 T N -1.172 113.364 114.554 -0.029 0.000 2.759 58 T HA -0.270 4.080 4.350 0.000 0.000 0.269 58 T C 1.840 176.521 174.700 -0.032 0.000 1.042 58 T CA 1.275 63.361 62.100 -0.023 0.000 1.140 58 T CB -0.213 68.647 68.868 -0.014 0.000 0.864 58 T HN 0.329 nan 8.240 nan 0.000 0.455 59 Q N 0.438 120.222 119.800 -0.026 0.000 2.500 59 Q HA 0.030 4.370 4.340 0.000 0.000 0.213 59 Q C 1.659 177.622 176.000 -0.063 0.000 0.974 59 Q CA 0.764 56.548 55.803 -0.031 0.000 0.918 59 Q CB -0.173 28.561 28.738 -0.006 0.000 0.980 59 Q HN 0.521 nan 8.270 nan 0.000 0.505 60 L N -1.297 119.882 121.223 -0.073 0.000 2.607 60 L HA 0.235 4.575 4.340 0.000 0.000 0.228 60 L C 0.998 177.752 176.870 -0.193 0.000 1.123 60 L CA 0.523 55.277 54.840 -0.143 0.000 0.890 60 L CB 0.429 42.435 42.059 -0.089 0.000 1.103 60 L HN 0.341 nan 8.230 nan 0.000 0.468 61 G N 0.443 109.171 108.800 -0.120 0.000 2.141 61 G HA2 -0.201 3.759 3.960 0.000 0.000 0.195 61 G HA3 -0.201 3.759 3.960 0.000 0.000 0.195 61 G C 0.088 174.956 174.900 -0.055 0.000 1.012 61 G CA -0.080 44.958 45.100 -0.104 0.000 0.696 61 G HN 0.196 nan 8.290 nan 0.000 0.508 62 T N 0.611 115.146 114.554 -0.033 0.000 2.907 62 T HA 0.548 4.898 4.350 0.000 0.000 0.284 62 T C 0.282 174.987 174.700 0.009 0.000 1.004 62 T CA -0.293 61.808 62.100 0.002 0.000 1.063 62 T CB 1.558 70.432 68.868 0.009 0.000 0.992 62 T HN 0.272 nan 8.240 nan 0.000 0.483 63 K N 2.238 122.655 120.400 0.029 0.000 2.264 63 K HA 0.575 4.895 4.320 0.000 0.000 0.277 63 K C -1.007 175.625 176.600 0.053 0.000 1.067 63 K CA -0.489 55.818 56.287 0.033 0.000 0.900 63 K CB 0.923 33.445 32.500 0.037 0.000 1.124 63 K HN 0.261 nan 8.250 nan 0.000 0.469 64 V N 2.772 122.714 119.914 0.046 0.000 2.735 64 V HA 0.488 4.608 4.120 0.000 0.000 0.310 64 V C -0.404 175.739 176.094 0.082 0.000 1.061 64 V CA -0.889 61.450 62.300 0.065 0.000 0.913 64 V CB 2.068 33.907 31.823 0.027 0.000 1.005 64 V HN 0.680 nan 8.190 nan 0.000 0.428 65 E N 2.523 122.809 120.200 0.144 0.000 2.423 65 E HA 0.654 5.004 4.350 0.000 0.000 0.280 65 E C -1.115 175.657 176.600 0.286 0.000 1.030 65 E CA -0.844 55.655 56.400 0.166 0.000 0.812 65 E CB 3.446 33.222 29.700 0.128 0.000 1.313 65 E HN 0.884 nan 8.360 nan 0.000 0.456 66 R N -0.720 119.938 120.500 0.262 0.000 2.762 66 R HA 0.467 4.807 4.340 0.000 0.000 0.271 66 R C -0.362 176.114 176.300 0.294 0.000 1.038 66 R CA -0.558 55.728 56.100 0.310 0.000 0.906 66 R CB 0.428 30.802 30.300 0.124 0.000 1.259 66 R HN 0.380 nan 8.270 nan 0.000 0.457 67 D N 0.277 120.842 120.400 0.274 0.000 2.256 67 D HA 0.091 4.731 4.640 0.000 0.000 0.279 67 D C 1.407 177.773 176.300 0.110 0.000 1.209 67 D CA 0.917 55.041 54.000 0.206 0.000 0.946 67 D CB -1.000 39.933 40.800 0.223 0.000 0.914 67 D HN 0.611 nan 8.370 nan 0.000 0.278 68 G N -1.035 107.809 108.800 0.073 0.000 2.662 68 G HA2 0.166 4.127 3.960 0.000 0.000 0.212 68 G HA3 0.166 4.127 3.960 0.000 0.000 0.212 68 G C 0.495 175.327 174.900 -0.113 0.000 1.141 68 G CA 0.231 45.326 45.100 -0.010 0.000 0.797 68 G HN 0.363 nan 8.290 nan 0.000 0.531 69 S N -1.164 114.389 115.700 -0.246 0.000 2.718 69 S HA 0.658 5.128 4.470 0.000 0.000 0.300 69 S C -0.848 173.411 174.600 -0.568 0.000 1.117 69 S CA -0.495 57.362 58.200 -0.570 0.000 1.002 69 S CB 2.418 64.963 63.200 -1.092 0.000 1.092 69 S HN -0.053 nan 8.310 nan 0.000 0.542 70 V N 1.850 121.432 119.914 -0.554 0.000 2.407 70 V HA 0.343 4.463 4.120 0.000 0.000 0.291 70 V C -1.049 174.857 176.094 -0.313 0.000 1.018 70 V CA -0.615 61.532 62.300 -0.255 0.000 0.842 70 V CB 1.094 32.828 31.823 -0.148 0.000 0.996 70 V HN 0.780 nan 8.190 nan 0.000 0.426 71 W N 5.535 126.836 121.300 0.003 0.000 2.361 71 W HA 0.569 5.229 4.660 0.000 0.000 0.309 71 W C -0.704 175.823 176.519 0.013 0.000 1.122 71 W CA -0.564 56.790 57.345 0.015 0.000 1.208 71 W CB 1.594 31.063 29.460 0.015 0.000 1.246 71 W HN 0.301 nan 8.180 nan 0.000 0.490 72 I N 3.147 123.827 120.570 0.183 0.000 2.509 72 I HA 0.156 4.326 4.170 0.000 0.000 0.293 72 I C -0.530 175.667 176.117 0.133 0.000 1.020 72 I CA -0.578 60.797 61.300 0.126 0.000 1.088 72 I CB 1.923 39.970 38.000 0.077 0.000 1.267 72 I HN 0.284 nan 8.210 nan 0.000 0.430 73 D N 5.008 125.473 120.400 0.108 0.000 2.346 73 D HA 0.497 5.137 4.640 0.000 0.000 0.255 73 D C -0.040 176.312 176.300 0.087 0.000 1.276 73 D CA -0.259 53.799 54.000 0.097 0.000 0.941 73 D CB 1.410 42.260 40.800 0.084 0.000 1.199 73 D HN 0.596 nan 8.370 nan 0.000 0.537 74 A N 2.368 125.250 122.820 0.103 0.000 2.577 74 A HA 0.201 4.521 4.320 0.000 0.000 0.280 74 A C 1.797 179.474 177.584 0.156 0.000 1.331 74 A CA 0.352 52.463 52.037 0.123 0.000 0.935 74 A CB -0.277 18.812 19.000 0.149 0.000 1.082 74 A HN 0.452 nan 8.150 nan 0.000 0.525 75 S N 0.663 116.435 115.700 0.120 0.000 2.359 75 S HA -0.198 4.272 4.470 0.000 0.000 0.224 75 S C 0.852 175.545 174.600 0.154 0.000 1.035 75 S CA 1.280 59.551 58.200 0.119 0.000 1.018 75 S CB -0.580 62.670 63.200 0.083 0.000 0.876 75 S HN 0.736 nan 8.310 nan 0.000 0.448 76 N N 0.545 119.318 118.700 0.121 0.000 2.469 76 N HA 0.426 5.166 4.740 0.000 0.000 0.253 76 N C -1.640 173.908 175.510 0.063 0.000 0.970 76 N CA -0.705 52.410 53.050 0.108 0.000 0.940 76 N CB 1.831 40.352 38.487 0.057 0.000 1.128 76 N HN 0.069 nan 8.380 nan 0.000 0.503 77 V N 4.851 124.793 119.914 0.047 0.000 2.340 77 V HA 0.232 4.352 4.120 0.000 0.000 0.277 77 V C 0.804 176.617 176.094 -0.468 0.000 1.017 77 V CA -0.851 61.320 62.300 -0.215 0.000 0.820 77 V CB 0.703 32.349 31.823 -0.296 0.000 1.028 77 V HN 0.848 nan 8.190 nan 0.000 0.436 78 N N 3.652 122.100 118.700 -0.421 0.000 2.148 78 N HA -0.051 4.689 4.740 0.000 0.000 0.186 78 N C 0.768 175.662 175.510 -1.026 0.000 1.031 78 N CA 0.576 53.331 53.050 -0.491 0.000 0.848 78 N CB 0.030 38.369 38.487 -0.247 0.000 1.005 78 N HN 0.582 nan 8.380 nan 0.000 0.427 79 N N -0.442 117.736 118.700 -0.869 0.000 2.515 79 N HA 0.169 4.909 4.740 0.000 0.000 0.279 79 N C -1.287 173.553 175.510 -1.117 0.000 1.164 79 N CA -0.451 52.093 53.050 -0.842 0.000 0.982 79 N CB 0.467 38.736 38.487 -0.362 0.000 1.170 79 N HN 0.065 nan 8.380 nan 0.000 0.474 80 F N -0.017 119.885 119.950 -0.081 0.000 2.810 80 F HA 0.373 4.900 4.527 0.000 0.000 0.353 80 F C 0.395 176.208 175.800 0.023 0.000 1.227 80 F CA -0.565 57.405 58.000 -0.050 0.000 1.210 80 F CB 0.043 39.011 39.000 -0.053 0.000 1.039 80 F HN 0.272 nan 8.300 nan 0.000 0.509 81 S N 0.967 116.735 115.700 0.113 0.000 2.570 81 S HA 0.879 5.349 4.470 0.000 0.000 0.286 81 S C -0.922 173.770 174.600 0.153 0.000 1.099 81 S CA -0.430 57.860 58.200 0.150 0.000 0.913 81 S CB 1.571 64.833 63.200 0.104 0.000 1.085 81 S HN 0.193 nan 8.310 nan 0.000 0.480 82 A N 5.017 127.964 122.820 0.212 0.000 2.431 82 A HA 0.650 4.970 4.320 0.000 0.000 0.318 82 A C -2.707 175.013 177.584 0.228 0.000 1.330 82 A CA -1.722 50.421 52.037 0.176 0.000 0.804 82 A CB 0.439 19.521 19.000 0.136 0.000 1.135 82 A HN 0.637 nan 8.150 nan 0.000 0.483 83 P HA -0.114 nan 4.420 nan 0.000 0.267 83 P C 0.477 177.887 177.300 0.183 0.000 1.200 83 P CA 0.249 63.528 63.100 0.297 0.000 0.772 83 P CB 0.627 32.449 31.700 0.203 0.000 0.855 84 Y N 4.061 124.399 120.300 0.063 0.000 2.002 84 Y HA -0.339 4.211 4.550 0.000 0.000 0.268 84 Y C 2.109 177.996 175.900 -0.021 0.000 1.177 84 Y CA 2.796 60.861 58.100 -0.058 0.000 1.111 84 Y CB -0.919 37.527 38.460 -0.024 0.000 0.952 84 Y HN 0.452 nan 8.280 nan 0.000 0.491 85 D N -0.106 120.389 120.400 0.158 0.000 2.271 85 D HA -0.255 4.385 4.640 0.000 0.000 0.207 85 D C 2.128 178.389 176.300 -0.066 0.000 0.983 85 D CA 1.571 55.583 54.000 0.021 0.000 0.878 85 D CB -0.557 40.314 40.800 0.119 0.000 0.920 85 D HN 0.527 nan 8.370 nan 0.000 0.479 86 L N 0.758 121.959 121.223 -0.036 0.000 2.200 86 L HA -0.062 4.278 4.340 0.000 0.000 0.200 86 L C 2.657 179.483 176.870 -0.074 0.000 1.072 86 L CA 0.462 55.284 54.840 -0.030 0.000 0.787 86 L CB 0.069 42.143 42.059 0.024 0.000 0.957 86 L HN -0.010 nan 8.230 nan 0.000 0.459 87 V N -0.717 119.133 119.914 -0.106 0.000 2.809 87 V HA -0.203 3.917 4.120 0.000 0.000 0.256 87 V C 2.249 178.208 176.094 -0.225 0.000 1.080 87 V CA 1.710 63.925 62.300 -0.141 0.000 1.102 87 V CB -0.861 30.872 31.823 -0.150 0.000 0.705 87 V HN 0.621 nan 8.190 nan 0.000 0.475 88 K N 1.691 121.879 120.400 -0.353 0.000 2.442 88 K HA -0.092 4.228 4.320 0.000 0.000 0.198 88 K C 1.725 178.184 176.600 -0.235 0.000 1.042 88 K CA 1.693 57.728 56.287 -0.420 0.000 0.958 88 K CB -0.670 31.387 32.500 -0.737 0.000 0.766 88 K HN 0.662 nan 8.250 nan 0.000 0.474 89 T N -2.247 112.206 114.554 -0.168 0.000 3.022 89 T HA 0.203 4.553 4.350 0.000 0.000 0.250 89 T C 0.555 175.214 174.700 -0.068 0.000 1.060 89 T CA -0.427 61.610 62.100 -0.105 0.000 1.013 89 T CB 0.061 68.879 68.868 -0.084 0.000 0.982 89 T HN 0.261 nan 8.240 nan 0.000 0.508 90 M N 2.140 121.692 119.600 -0.079 0.000 2.380 90 M HA 0.328 4.808 4.480 0.000 0.000 0.202 90 M C 0.410 176.648 176.300 -0.104 0.000 0.975 90 M CA -0.600 54.666 55.300 -0.056 0.000 0.971 90 M CB 1.245 33.850 32.600 0.009 0.000 2.685 90 M HN 0.150 nan 8.290 nan 0.000 0.431 91 R N 1.823 122.231 120.500 -0.154 0.000 2.241 91 R HA 0.052 4.392 4.340 0.000 0.000 0.224 91 R C 1.177 177.276 176.300 -0.335 0.000 1.101 91 R CA 1.448 57.412 56.100 -0.226 0.000 0.995 91 R CB -0.468 29.698 30.300 -0.223 0.000 0.870 91 R HN 0.628 nan 8.270 nan 0.000 0.463 92 A N 1.834 124.464 122.820 -0.317 0.000 2.178 92 A HA -0.119 4.201 4.320 0.000 0.000 0.218 92 A C 2.144 179.424 177.584 -0.508 0.000 1.157 92 A CA 1.256 52.985 52.037 -0.514 0.000 0.689 92 A CB -0.478 18.391 19.000 -0.218 0.000 0.787 92 A HN 0.581 nan 8.150 nan 0.000 0.465 93 S N -0.278 115.257 115.700 -0.276 0.000 2.507 93 S HA -0.113 4.357 4.470 0.000 0.000 0.235 93 S C 1.574 175.943 174.600 -0.386 0.000 0.988 93 S CA 0.963 59.017 58.200 -0.242 0.000 0.944 93 S CB -0.585 62.648 63.200 0.055 0.000 0.762 93 S HN 0.462 nan 8.310 nan 0.000 0.526 94 I N 0.993 121.306 120.570 -0.428 0.000 2.567 94 I HA -0.026 4.144 4.170 0.000 0.000 0.257 94 I C 1.494 177.456 176.117 -0.258 0.000 1.184 94 I CA 0.642 61.726 61.300 -0.360 0.000 1.451 94 I CB -0.619 37.068 38.000 -0.521 0.000 1.089 94 I HN 0.355 nan 8.210 nan 0.000 0.441 95 W N 0.539 121.527 121.300 -0.519 0.000 2.848 95 W HA 0.085 4.745 4.660 0.000 0.000 0.241 95 W C 2.283 178.618 176.519 -0.307 0.000 1.289 95 W CA 0.723 57.804 57.345 -0.440 0.000 1.396 95 W CB -1.121 27.981 29.460 -0.597 0.000 1.138 95 W HN 0.319 nan 8.180 nan 0.000 0.677 96 A N -0.458 122.324 122.820 -0.064 0.000 2.021 96 A HA -0.052 4.268 4.320 0.000 0.000 0.216 96 A C 1.942 179.655 177.584 0.215 0.000 1.163 96 A CA 0.662 52.850 52.037 0.252 0.000 0.676 96 A CB -0.592 18.617 19.000 0.348 0.000 0.818 96 A HN 0.120 nan 8.150 nan 0.000 0.453 97 L N 0.415 121.723 121.223 0.143 0.000 1.990 97 L HA -0.110 4.230 4.340 0.000 0.000 0.213 97 L C 2.425 179.389 176.870 0.157 0.000 1.072 97 L CA 2.408 57.334 54.840 0.142 0.000 0.755 97 L CB -1.055 41.064 42.059 0.100 0.000 0.889 97 L HN 0.325 nan 8.230 nan 0.000 0.432 98 G N -0.759 108.142 108.800 0.167 0.000 2.514 98 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 98 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 98 G C -0.617 174.369 174.900 0.143 0.000 1.198 98 G CA 1.022 46.211 45.100 0.148 0.000 0.780 98 G HN 0.383 nan 8.290 nan 0.000 0.565 99 P HA -0.040 nan 4.420 nan 0.000 0.215 99 P C 2.146 179.587 177.300 0.235 0.000 1.153 99 P CA 0.718 63.928 63.100 0.183 0.000 0.853 99 P CB -0.123 31.713 31.700 0.226 0.000 0.788 100 L N -0.989 120.411 121.223 0.295 0.000 2.012 100 L HA -0.145 4.195 4.340 0.000 0.000 0.210 100 L C 2.411 179.444 176.870 0.272 0.000 1.073 100 L CA 1.447 56.522 54.840 0.391 0.000 0.748 100 L CB -1.175 41.085 42.059 0.335 0.000 0.891 100 L HN -0.096 nan 8.230 nan 0.000 0.431 101 V N -0.483 119.526 119.914 0.158 0.000 3.141 101 V HA -0.081 4.039 4.120 0.000 0.000 0.265 101 V C 2.247 178.368 176.094 0.045 0.000 1.126 101 V CA 1.409 63.756 62.300 0.079 0.000 1.141 101 V CB 0.218 32.080 31.823 0.066 0.000 0.743 101 V HN 0.409 nan 8.190 nan 0.000 0.492 102 A N -0.227 122.624 122.820 0.052 0.000 1.997 102 A HA 0.059 4.379 4.320 0.000 0.000 0.212 102 A C 2.350 179.899 177.584 -0.058 0.000 1.178 102 A CA 1.063 53.100 52.037 0.001 0.000 0.698 102 A CB -0.307 18.700 19.000 0.012 0.000 0.842 102 A HN 0.504 nan 8.150 nan 0.000 0.458 103 R N -2.057 118.391 120.500 -0.087 0.000 2.146 103 R HA 0.177 4.517 4.340 0.000 0.000 0.206 103 R C 0.392 176.367 176.300 -0.543 0.000 1.049 103 R CA 0.743 56.639 56.100 -0.340 0.000 1.029 103 R CB 0.032 30.044 30.300 -0.480 0.000 0.949 103 R HN 0.426 nan 8.270 nan 0.000 0.471 104 F N -0.485 119.431 119.950 -0.056 0.000 2.661 104 F HA 0.402 4.929 4.527 0.000 0.000 0.306 104 F C 1.291 176.943 175.800 -0.247 0.000 1.094 104 F CA 0.319 58.213 58.000 -0.176 0.000 1.254 104 F CB 1.363 40.160 39.000 -0.339 0.000 1.040 104 F HN 0.250 nan 8.300 nan 0.000 0.562 105 G N 1.075 109.855 108.800 -0.033 0.000 2.196 105 G HA2 -0.289 3.671 3.960 0.000 0.000 0.268 105 G HA3 -0.289 3.671 3.960 0.000 0.000 0.268 105 G C 0.125 174.983 174.900 -0.070 0.000 0.975 105 G CA 0.728 45.797 45.100 -0.052 0.000 0.648 105 G HN 0.534 nan 8.290 nan 0.000 0.538 106 Q N -1.854 117.880 119.800 -0.110 0.000 2.575 106 Q HA 0.675 5.015 4.340 0.000 0.000 0.290 106 Q C -0.440 175.533 176.000 -0.045 0.000 0.963 106 Q CA -0.540 55.199 55.803 -0.107 0.000 0.783 106 Q CB 1.788 30.412 28.738 -0.191 0.000 1.467 106 Q HN 1.680 nan 8.270 nan 0.000 0.402 107 G N 1.002 109.832 108.800 0.049 0.000 2.429 107 G HA2 0.416 4.376 3.960 0.000 0.000 0.300 107 G HA3 0.416 4.376 3.960 0.000 0.000 0.300 107 G C -2.217 172.770 174.900 0.144 0.000 1.598 107 G CA -0.493 44.695 45.100 0.146 0.000 0.863 107 G HN 0.813 nan 8.290 nan 0.000 0.614 108 Q N -0.143 119.766 119.800 0.182 0.000 2.263 108 Q HA 0.684 5.024 4.340 0.000 0.000 0.262 108 Q C -1.730 174.421 176.000 0.250 0.000 0.984 108 Q CA -1.027 54.898 55.803 0.202 0.000 0.813 108 Q CB 2.543 31.401 28.738 0.199 0.000 1.299 108 Q HN 0.543 nan 8.270 nan 0.000 0.428 109 V N 1.513 121.542 119.914 0.191 0.000 2.680 109 V HA 0.424 4.544 4.120 0.000 0.000 0.309 109 V C 0.032 176.092 176.094 -0.058 0.000 1.052 109 V CA -0.789 61.571 62.300 0.101 0.000 0.908 109 V CB 1.869 33.705 31.823 0.022 0.000 1.001 109 V HN 0.903 nan 8.190 nan 0.000 0.431 110 S N 4.128 119.656 115.700 -0.286 0.000 2.525 110 S HA 0.198 4.668 4.470 0.000 0.000 0.285 110 S C -0.070 174.351 174.600 -0.298 0.000 1.283 110 S CA -0.402 57.410 58.200 -0.646 0.000 1.072 110 S CB -0.065 62.795 63.200 -0.566 0.000 0.867 110 S HN 0.644 nan 8.310 nan 0.000 0.492 111 L N 8.197 129.278 121.223 -0.236 0.000 2.562 111 L HA 0.220 4.561 4.340 0.000 0.000 0.271 111 L C -1.657 175.140 176.870 -0.121 0.000 1.167 111 L CA -1.433 53.327 54.840 -0.134 0.000 0.917 111 L CB 0.456 42.469 42.059 -0.077 0.000 1.187 111 L HN 0.591 nan 8.230 nan 0.000 0.482 112 P HA 0.086 nan 4.420 nan 0.000 0.268 112 P C 0.014 177.260 177.300 -0.090 0.000 1.205 112 P CA -0.214 62.802 63.100 -0.140 0.000 0.771 112 P CB 0.975 32.570 31.700 -0.176 0.000 0.858 113 G N 2.022 110.780 108.800 -0.070 0.000 2.504 113 G HA2 0.462 4.422 3.960 0.000 0.000 0.257 113 G HA3 0.462 4.422 3.960 0.000 0.000 0.257 113 G C 0.250 175.125 174.900 -0.042 0.000 1.451 113 G CA -0.399 44.682 45.100 -0.031 0.000 1.059 113 G HN 0.624 nan 8.290 nan 0.000 0.550 114 G N -2.111 106.674 108.800 -0.023 0.000 2.569 114 G HA2 0.403 4.363 3.960 0.000 0.000 0.249 114 G HA3 0.403 4.363 3.960 0.000 0.000 0.249 114 G C -0.333 174.546 174.900 -0.036 0.000 1.216 114 G CA 0.112 45.197 45.100 -0.024 0.000 0.845 114 G HN 0.708 nan 8.290 nan 0.000 0.568 115 C N 0.249 119.524 119.300 -0.041 0.000 2.630 115 C HA 0.717 5.177 4.460 0.000 0.000 0.346 115 C C 1.976 176.935 174.990 -0.052 0.000 1.245 115 C CA 0.258 59.241 59.018 -0.059 0.000 1.804 115 C CB 1.219 28.900 27.740 -0.098 0.000 2.279 115 C HN 1.024 nan 8.230 nan 0.000 0.498 116 A N 1.548 124.332 122.820 -0.060 0.000 1.877 116 A HA -0.074 4.246 4.320 0.000 0.000 0.216 116 A C 1.707 179.248 177.584 -0.072 0.000 1.186 116 A CA 2.113 54.117 52.037 -0.054 0.000 0.620 116 A CB -0.723 18.241 19.000 -0.059 0.000 0.822 116 A HN 1.078 nan 8.150 nan 0.000 0.443 117 I N -4.123 116.367 120.570 -0.133 0.000 3.564 117 I HA 0.461 4.631 4.170 0.000 0.000 0.294 117 I C 0.727 176.809 176.117 -0.059 0.000 1.289 117 I CA 0.454 61.665 61.300 -0.147 0.000 1.325 117 I CB -0.358 37.447 38.000 -0.325 0.000 1.039 117 I HN 0.290 nan 8.210 nan 0.000 0.474 118 G N -0.048 108.737 108.800 -0.025 0.000 2.340 118 G HA2 0.413 4.373 3.960 0.000 0.000 0.298 118 G HA3 0.413 4.373 3.960 0.000 0.000 0.298 118 G C 0.019 174.945 174.900 0.044 0.000 1.498 118 G CA -0.286 44.857 45.100 0.070 0.000 0.847 118 G HN 0.036 nan 8.290 nan 0.000 0.594 119 A N 0.118 122.965 122.820 0.046 0.000 2.121 119 A HA 0.221 4.541 4.320 0.000 0.000 0.218 119 A C 1.563 179.161 177.584 0.023 0.000 1.154 119 A CA 1.447 53.497 52.037 0.021 0.000 0.679 119 A CB -0.528 18.481 19.000 0.014 0.000 0.795 119 A HN 1.260 nan 8.150 nan 0.000 0.458 120 R N -0.759 119.782 120.500 0.068 0.000 2.955 120 R HA -0.141 4.199 4.340 0.000 0.000 0.239 120 R C -2.186 174.123 176.300 0.014 0.000 0.848 120 R CA 0.415 56.561 56.100 0.076 0.000 0.586 120 R CB -1.796 28.548 30.300 0.073 0.000 1.098 120 R HN 0.543 nan 8.270 nan 0.000 0.499 121 P HA -0.006 nan 4.420 nan 0.000 0.271 121 P C 0.197 177.499 177.300 0.003 0.000 1.244 121 P CA -0.178 62.920 63.100 -0.003 0.000 0.793 121 P CB 0.957 32.660 31.700 0.005 0.000 0.984 122 V N 0.770 120.679 119.914 -0.008 0.000 3.070 122 V HA -0.010 4.110 4.120 0.000 0.000 0.345 122 V C 1.655 177.822 176.094 0.122 0.000 1.403 122 V CA 0.172 62.475 62.300 0.006 0.000 1.155 122 V CB -0.528 31.165 31.823 -0.217 0.000 1.140 122 V HN 0.618 nan 8.190 nan 0.000 0.505 123 D N 0.416 120.872 120.400 0.094 0.000 2.133 123 D HA -0.273 4.367 4.640 0.000 0.000 0.195 123 D C 1.791 178.187 176.300 0.161 0.000 0.997 123 D CA 1.575 55.636 54.000 0.101 0.000 0.840 123 D CB -0.119 40.708 40.800 0.046 0.000 0.947 123 D HN 0.507 nan 8.370 nan 0.000 0.452 124 L N 0.023 121.332 121.223 0.144 0.000 2.131 124 L HA -0.138 4.202 4.340 0.000 0.000 0.210 124 L C 2.852 179.844 176.870 0.204 0.000 1.092 124 L CA 0.987 55.914 54.840 0.145 0.000 0.759 124 L CB -0.682 41.398 42.059 0.036 0.000 0.903 124 L HN 0.141 nan 8.230 nan 0.000 0.435 125 H N 0.078 119.215 119.070 0.113 0.000 2.293 125 H HA -0.146 4.410 4.556 0.000 0.000 0.300 125 H C 2.462 177.854 175.328 0.107 0.000 1.082 125 H CA 1.921 58.032 56.048 0.105 0.000 1.308 125 H CB 0.008 29.806 29.762 0.059 0.000 1.375 125 H HN 0.319 nan 8.280 nan 0.000 0.495 126 I N 0.362 121.079 120.570 0.245 0.000 2.179 126 I HA -0.294 3.876 4.170 0.000 0.000 0.242 126 I C 2.581 178.789 176.117 0.151 0.000 1.088 126 I CA 1.206 62.602 61.300 0.160 0.000 1.357 126 I CB -0.397 37.680 38.000 0.129 0.000 1.051 126 I HN 0.085 nan 8.210 nan 0.000 0.409 127 F N 1.909 121.888 119.950 0.049 0.000 2.120 127 F HA -0.192 4.335 4.527 0.000 0.000 0.300 127 F C 2.251 178.066 175.800 0.023 0.000 1.095 127 F CA 1.810 59.826 58.000 0.028 0.000 1.249 127 F CB -0.803 38.208 39.000 0.017 0.000 0.995 127 F HN -0.007 nan 8.300 nan 0.000 0.480 128 G N 0.859 109.677 108.800 0.030 0.000 2.421 128 G HA2 -0.202 3.758 3.960 0.000 0.000 0.216 128 G HA3 -0.202 3.758 3.960 0.000 0.000 0.216 128 G C 1.763 176.591 174.900 -0.120 0.000 1.171 128 G CA 1.045 46.089 45.100 -0.094 0.000 0.775 128 G HN 0.447 nan 8.290 nan 0.000 0.543 129 L N 0.072 121.278 121.223 -0.029 0.000 2.046 129 L HA -0.064 4.276 4.340 0.000 0.000 0.208 129 L C 2.886 179.717 176.870 -0.065 0.000 1.077 129 L CA 1.228 56.057 54.840 -0.019 0.000 0.747 129 L CB -0.447 41.633 42.059 0.035 0.000 0.896 129 L HN 0.303 nan 8.230 nan 0.000 0.432 130 E N -0.021 120.123 120.200 -0.094 0.000 2.077 130 E HA -0.205 4.145 4.350 0.000 0.000 0.193 130 E C 2.109 178.607 176.600 -0.170 0.000 0.989 130 E CA 0.873 57.207 56.400 -0.110 0.000 0.800 130 E CB 0.076 29.718 29.700 -0.097 0.000 0.746 130 E HN 0.303 nan 8.360 nan 0.000 0.452 131 K N 0.393 120.614 120.400 -0.298 0.000 2.283 131 K HA -0.073 4.247 4.320 0.000 0.000 0.202 131 K C 1.842 178.350 176.600 -0.152 0.000 1.048 131 K CA 0.648 56.761 56.287 -0.289 0.000 0.948 131 K CB 0.013 32.237 32.500 -0.459 0.000 0.742 131 K HN 0.243 nan 8.250 nan 0.000 0.458 132 L N -0.362 120.790 121.223 -0.117 0.000 2.591 132 L HA 0.061 4.401 4.340 0.000 0.000 0.228 132 L C 1.156 177.995 176.870 -0.052 0.000 1.133 132 L CA 0.440 55.240 54.840 -0.067 0.000 0.880 132 L CB 0.002 42.033 42.059 -0.047 0.000 1.033 132 L HN 0.377 nan 8.230 nan 0.000 0.450 133 G N -0.436 108.329 108.800 -0.058 0.000 2.201 133 G HA2 -0.221 3.739 3.960 0.000 0.000 0.212 133 G HA3 -0.221 3.739 3.960 0.000 0.000 0.212 133 G C 0.420 175.302 174.900 -0.030 0.000 0.994 133 G CA -0.130 44.945 45.100 -0.041 0.000 0.644 133 G HN 0.427 nan 8.290 nan 0.000 0.508 134 A N 0.177 122.981 122.820 -0.028 0.000 2.386 134 A HA 0.615 4.935 4.320 0.000 0.000 0.248 134 A C 0.340 177.918 177.584 -0.009 0.000 1.082 134 A CA 0.777 52.807 52.037 -0.012 0.000 0.789 134 A CB 0.486 19.487 19.000 0.001 0.000 1.025 134 A HN 0.627 nan 8.150 nan 0.000 0.490 135 E N 1.277 121.477 120.200 0.001 0.000 2.133 135 E HA 0.575 4.925 4.350 0.000 0.000 0.274 135 E C -1.350 175.260 176.600 0.018 0.000 0.930 135 E CA -0.311 56.092 56.400 0.006 0.000 0.770 135 E CB 0.638 30.341 29.700 0.005 0.000 1.104 135 E HN 0.555 nan 8.360 nan 0.000 0.403 136 I N 5.157 125.741 120.570 0.024 0.000 2.545 136 I HA 0.403 4.573 4.170 0.000 0.000 0.292 136 I C -0.513 175.627 176.117 0.038 0.000 1.040 136 I CA -0.967 60.355 61.300 0.036 0.000 1.068 136 I CB 1.604 39.630 38.000 0.044 0.000 1.251 136 I HN 0.396 nan 8.210 nan 0.000 0.424 137 K N 5.677 126.103 120.400 0.044 0.000 2.512 137 K HA 0.622 4.942 4.320 0.000 0.000 0.263 137 K C -1.679 174.954 176.600 0.054 0.000 0.966 137 K CA -0.955 55.358 56.287 0.043 0.000 0.851 137 K CB 2.755 35.277 32.500 0.036 0.000 1.395 137 K HN 0.501 nan 8.250 nan 0.000 0.440 138 L N 1.185 122.439 121.223 0.052 0.000 2.294 138 L HA 0.402 4.742 4.340 0.000 0.000 0.283 138 L C -0.876 176.034 176.870 0.067 0.000 1.015 138 L CA 0.122 54.999 54.840 0.062 0.000 0.831 138 L CB 0.870 42.957 42.059 0.046 0.000 1.217 138 L HN 0.783 nan 8.230 nan 0.000 0.420 139 E N 3.221 123.479 120.200 0.096 0.000 2.263 139 E HA 0.418 4.768 4.350 0.000 0.000 0.268 139 E C -0.812 175.869 176.600 0.135 0.000 0.884 139 E CA -0.679 55.773 56.400 0.087 0.000 0.766 139 E CB 1.176 30.911 29.700 0.057 0.000 1.196 139 E HN 0.639 nan 8.360 nan 0.000 0.416 140 E N 1.675 121.939 120.200 0.108 0.000 2.513 140 E HA -0.281 4.069 4.350 0.000 0.000 0.257 140 E C 0.631 177.370 176.600 0.231 0.000 1.098 140 E CA 0.596 57.076 56.400 0.133 0.000 0.752 140 E CB -1.672 28.091 29.700 0.105 0.000 1.324 140 E HN 1.199 nan 8.360 nan 0.000 0.403 141 G N -1.115 107.769 108.800 0.140 0.000 2.159 141 G HA2 -0.351 3.609 3.960 0.000 0.000 0.256 141 G HA3 -0.351 3.609 3.960 0.000 0.000 0.256 141 G C -0.307 174.559 174.900 -0.058 0.000 0.977 141 G CA 0.592 45.719 45.100 0.046 0.000 0.652 141 G HN 0.299 nan 8.290 nan 0.000 0.531 142 Y N -1.053 119.267 120.300 0.033 0.000 2.393 142 Y HA 0.556 5.106 4.550 0.000 0.000 0.341 142 Y C 0.404 176.323 175.900 0.031 0.000 0.988 142 Y CA -0.826 57.297 58.100 0.039 0.000 1.078 142 Y CB 2.239 40.724 38.460 0.041 0.000 1.203 142 Y HN 0.354 nan 8.280 nan 0.000 0.453 143 V N 5.264 125.248 119.914 0.116 0.000 2.320 143 V HA 0.395 4.515 4.120 0.000 0.000 0.265 143 V C -0.754 175.411 176.094 0.119 0.000 1.048 143 V CA -0.597 61.755 62.300 0.088 0.000 0.865 143 V CB -0.256 31.589 31.823 0.037 0.000 1.043 143 V HN 0.693 nan 8.190 nan 0.000 0.474 144 K N 6.106 126.575 120.400 0.115 0.000 2.234 144 K HA 0.773 5.093 4.320 0.000 0.000 0.277 144 K C -0.202 176.441 176.600 0.071 0.000 1.038 144 K CA -0.103 56.245 56.287 0.102 0.000 0.888 144 K CB 1.882 34.435 32.500 0.087 0.000 1.091 144 K HN 0.825 nan 8.250 nan 0.000 0.467 145 A N 1.884 124.745 122.820 0.068 0.000 2.374 145 A HA 0.732 5.052 4.320 0.000 0.000 0.317 145 A C -0.674 176.929 177.584 0.032 0.000 1.094 145 A CA -0.622 51.445 52.037 0.049 0.000 0.765 145 A CB 1.288 20.322 19.000 0.057 0.000 1.268 145 A HN 0.713 nan 8.150 nan 0.000 0.438 146 S N -0.278 115.432 115.700 0.017 0.000 2.570 146 S HA 0.784 5.254 4.470 0.000 0.000 0.270 146 S C -1.345 173.252 174.600 -0.005 0.000 1.149 146 S CA -0.447 57.752 58.200 -0.001 0.000 0.837 146 S CB 1.303 64.501 63.200 -0.004 0.000 1.124 146 S HN 2.158 nan 8.310 nan 0.000 0.465 147 V N 0.939 120.844 119.914 -0.015 0.000 2.924 147 V HA 0.567 4.687 4.120 0.000 0.000 0.300 147 V C -1.753 174.328 176.094 -0.022 0.000 1.227 147 V CA -0.706 61.584 62.300 -0.017 0.000 0.954 147 V CB 2.151 33.964 31.823 -0.017 0.000 1.055 147 V HN 1.035 nan 8.190 nan 0.000 0.429 148 N N 4.322 123.011 118.700 -0.019 0.000 2.402 148 N HA 0.604 5.344 4.740 0.000 0.000 0.252 148 N C 0.446 175.943 175.510 -0.022 0.000 1.118 148 N CA 1.677 54.716 53.050 -0.018 0.000 0.945 148 N CB 1.050 39.528 38.487 -0.014 0.000 1.147 148 N HN 1.392 nan 8.380 nan 0.000 0.495 149 G N 2.139 110.924 108.800 -0.025 0.000 2.525 149 G HA2 -0.278 3.682 3.960 0.000 0.000 0.248 149 G HA3 -0.278 3.682 3.960 0.000 0.000 0.248 149 G C -0.402 174.477 174.900 -0.035 0.000 1.238 149 G CA -0.585 44.498 45.100 -0.029 0.000 0.926 149 G HN 0.584 nan 8.290 nan 0.000 0.574 150 R N -0.552 119.927 120.500 -0.036 0.000 2.560 150 R HA 0.551 4.891 4.340 0.000 0.000 0.270 150 R C 0.650 176.931 176.300 -0.032 0.000 1.074 150 R CA -0.623 55.453 56.100 -0.039 0.000 1.140 150 R CB 0.464 30.739 30.300 -0.041 0.000 1.073 150 R HN 0.453 nan 8.270 nan 0.000 0.527 151 L N 1.795 122.998 121.223 -0.032 0.000 2.464 151 L HA 0.202 4.542 4.340 0.000 0.000 0.264 151 L C 0.336 177.188 176.870 -0.029 0.000 1.199 151 L CA 0.158 54.981 54.840 -0.028 0.000 0.818 151 L CB 0.307 42.351 42.059 -0.025 0.000 1.102 151 L HN 0.339 nan 8.230 nan 0.000 0.473 152 K N 1.070 121.452 120.400 -0.029 0.000 2.274 152 K HA 0.377 4.697 4.320 0.000 0.000 0.262 152 K C 0.038 176.622 176.600 -0.027 0.000 0.961 152 K CA -0.662 55.608 56.287 -0.027 0.000 0.833 152 K CB 1.664 34.149 32.500 -0.025 0.000 1.102 152 K HN 0.730 nan 8.250 nan 0.000 0.436 153 G N 1.477 110.262 108.800 -0.025 0.000 2.460 153 G HA2 0.291 4.251 3.960 0.000 0.000 0.230 153 G HA3 0.291 4.251 3.960 0.000 0.000 0.230 153 G C -0.502 174.388 174.900 -0.015 0.000 1.248 153 G CA -0.038 45.048 45.100 -0.022 0.000 0.863 153 G HN 0.653 nan 8.290 nan 0.000 0.549 154 A N 1.165 123.982 122.820 -0.005 0.000 2.609 154 A HA 0.662 4.982 4.320 0.000 0.000 0.291 154 A C -0.909 176.722 177.584 0.079 0.000 1.096 154 A CA -0.696 51.352 52.037 0.019 0.000 0.684 154 A CB 1.087 20.078 19.000 -0.014 0.000 1.282 154 A HN 0.966 nan 8.150 nan 0.000 0.412 155 H N 0.935 119.994 119.070 -0.018 0.000 2.690 155 H HA 0.606 5.162 4.556 0.000 0.000 0.289 155 H C -1.012 174.321 175.328 0.009 0.000 1.089 155 H CA -0.463 55.584 56.048 -0.002 0.000 1.299 155 H CB 0.219 29.983 29.762 0.004 0.000 1.405 155 H HN 0.471 nan 8.280 nan 0.000 0.463 156 I N 6.281 126.950 120.570 0.165 0.000 2.362 156 I HA 0.176 4.346 4.170 0.000 0.000 0.289 156 I C -0.500 175.671 176.117 0.090 0.000 0.994 156 I CA -0.979 60.375 61.300 0.089 0.000 1.158 156 I CB 1.805 39.850 38.000 0.075 0.000 1.315 156 I HN 0.282 nan 8.210 nan 0.000 0.451 157 V N 6.582 126.539 119.914 0.072 0.000 2.370 157 V HA 0.356 4.476 4.120 0.000 0.000 0.279 157 V C 0.424 176.561 176.094 0.071 0.000 1.029 157 V CA -0.621 61.694 62.300 0.025 0.000 0.870 157 V CB 1.465 33.253 31.823 -0.058 0.000 0.984 157 V HN 0.617 nan 8.190 nan 0.000 0.451 158 M N 2.971 122.594 119.600 0.038 0.000 2.162 158 M HA 0.247 4.727 4.480 0.000 0.000 0.356 158 M C 0.766 177.023 176.300 -0.072 0.000 1.303 158 M CA -0.132 55.164 55.300 -0.005 0.000 1.116 158 M CB 0.763 33.370 32.600 0.010 0.000 1.632 158 M HN 0.566 nan 8.290 nan 0.000 0.469 159 D N 2.637 122.947 120.400 -0.150 0.000 2.149 159 D HA 0.004 4.645 4.640 0.000 0.000 0.201 159 D C 0.214 176.453 176.300 -0.102 0.000 0.972 159 D CA 1.452 55.364 54.000 -0.147 0.000 0.835 159 D CB 0.518 41.190 40.800 -0.214 0.000 0.966 159 D HN 0.525 nan 8.370 nan 0.000 0.476 160 K N -0.729 119.614 120.400 -0.094 0.000 2.395 160 K HA 0.539 4.859 4.320 0.000 0.000 0.245 160 K C -0.972 175.595 176.600 -0.054 0.000 1.017 160 K CA -0.917 55.326 56.287 -0.073 0.000 0.852 160 K CB 3.014 35.466 32.500 -0.080 0.000 1.311 160 K HN -0.349 nan 8.250 nan 0.000 0.452 161 V N 1.536 121.421 119.914 -0.048 0.000 2.406 161 V HA 0.236 4.356 4.120 0.000 0.000 0.272 161 V C -0.400 175.674 176.094 -0.033 0.000 1.043 161 V CA -0.192 62.090 62.300 -0.030 0.000 0.915 161 V CB 1.015 32.825 31.823 -0.022 0.000 0.988 161 V HN 0.726 nan 8.190 nan 0.000 0.466 162 S N 4.052 119.742 115.700 -0.016 0.000 2.647 162 S HA 0.418 4.888 4.470 0.000 0.000 0.300 162 S C 0.566 175.185 174.600 0.032 0.000 1.129 162 S CA -0.593 57.605 58.200 -0.003 0.000 1.029 162 S CB 1.877 65.066 63.200 -0.018 0.000 1.007 162 S HN 0.327 nan 8.310 nan 0.000 0.484 163 V N 5.459 125.419 119.914 0.077 0.000 2.270 163 V HA -0.008 4.112 4.120 0.000 0.000 0.245 163 V C 2.682 178.911 176.094 0.225 0.000 1.043 163 V CA 2.538 64.917 62.300 0.131 0.000 1.014 163 V CB -1.282 30.639 31.823 0.164 0.000 0.645 163 V HN 0.952 nan 8.190 nan 0.000 0.447 164 G N -0.323 108.653 108.800 0.294 0.000 2.459 164 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 164 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 164 G C 1.787 176.768 174.900 0.134 0.000 1.183 164 G CA 1.174 46.571 45.100 0.496 0.000 0.776 164 G HN 0.615 nan 8.290 nan 0.000 0.552 165 A N 0.084 122.665 122.820 -0.398 0.000 1.933 165 A HA -0.027 4.293 4.320 0.000 0.000 0.218 165 A C 2.528 180.012 177.584 -0.167 0.000 1.175 165 A CA 2.504 54.168 52.037 -0.622 0.000 0.628 165 A CB -0.975 17.807 19.000 -0.364 0.000 0.814 165 A HN 0.316 nan 8.150 nan 0.000 0.444 166 T N -0.362 114.165 114.554 -0.044 0.000 2.746 166 T HA -0.120 4.230 4.350 0.000 0.000 0.267 166 T C 1.876 176.577 174.700 0.001 0.000 1.039 166 T CA 1.570 63.669 62.100 -0.003 0.000 1.142 166 T CB -0.414 68.463 68.868 0.014 0.000 0.866 166 T HN 0.170 nan 8.240 nan 0.000 0.444 167 V N 1.383 121.314 119.914 0.029 0.000 2.295 167 V HA -0.195 3.925 4.120 0.000 0.000 0.246 167 V C 2.802 178.879 176.094 -0.027 0.000 1.049 167 V CA 2.032 64.295 62.300 -0.062 0.000 1.024 167 V CB -1.152 30.523 31.823 -0.247 0.000 0.648 167 V HN 0.504 nan 8.190 nan 0.000 0.447 168 T N 0.399 115.026 114.554 0.122 0.000 2.652 168 T HA -0.179 4.171 4.350 0.000 0.000 0.267 168 T C 1.796 176.542 174.700 0.077 0.000 1.039 168 T CA 2.102 64.309 62.100 0.179 0.000 1.153 168 T CB -0.314 68.739 68.868 0.309 0.000 0.863 168 T HN 0.343 nan 8.240 nan 0.000 0.428 169 I N 0.698 121.289 120.570 0.036 0.000 2.179 169 I HA -0.185 3.985 4.170 0.000 0.000 0.242 169 I C 2.611 178.733 176.117 0.008 0.000 1.088 169 I CA 1.376 62.689 61.300 0.020 0.000 1.357 169 I CB -0.417 37.593 38.000 0.015 0.000 1.051 169 I HN 0.265 nan 8.210 nan 0.000 0.409 170 M N 0.380 119.978 119.600 -0.003 0.000 2.108 170 M HA -0.219 4.261 4.480 0.000 0.000 0.261 170 M C 2.427 178.715 176.300 -0.021 0.000 1.066 170 M CA 1.889 57.180 55.300 -0.015 0.000 1.107 170 M CB -0.018 32.567 32.600 -0.026 0.000 1.356 170 M HN 0.124 nan 8.290 nan 0.000 0.406 171 S N 0.735 116.424 115.700 -0.018 0.000 2.348 171 S HA -0.069 4.402 4.470 0.000 0.000 0.221 171 S C 2.032 176.634 174.600 0.004 0.000 1.033 171 S CA 1.341 59.534 58.200 -0.010 0.000 1.010 171 S CB -0.551 62.648 63.200 -0.002 0.000 0.891 171 S HN 0.697 nan 8.310 nan 0.000 0.442 172 A N 1.512 124.344 122.820 0.021 0.000 1.933 172 A HA 0.108 4.428 4.320 0.000 0.000 0.218 172 A C 2.310 179.892 177.584 -0.004 0.000 1.175 172 A CA 1.666 53.715 52.037 0.020 0.000 0.628 172 A CB -1.006 18.014 19.000 0.034 0.000 0.814 172 A HN 0.517 nan 8.150 nan 0.000 0.444 173 A N -0.089 122.725 122.820 -0.010 0.000 2.019 173 A HA -0.085 4.235 4.320 0.000 0.000 0.219 173 A C 2.346 179.912 177.584 -0.030 0.000 1.164 173 A CA 2.298 54.323 52.037 -0.020 0.000 0.644 173 A CB -1.397 17.593 19.000 -0.017 0.000 0.805 173 A HN 0.818 nan 8.150 nan 0.000 0.449 174 T N -1.873 112.661 114.554 -0.034 0.000 2.849 174 T HA -0.057 4.293 4.350 0.000 0.000 0.270 174 T C 1.312 175.982 174.700 -0.051 0.000 1.066 174 T CA 1.503 63.574 62.100 -0.048 0.000 1.130 174 T CB -0.372 68.460 68.868 -0.060 0.000 0.864 174 T HN 0.329 nan 8.240 nan 0.000 0.481 175 L N 0.613 121.808 121.223 -0.047 0.000 2.769 175 L HA 0.538 4.879 4.340 0.000 0.000 0.240 175 L C 1.299 178.140 176.870 -0.049 0.000 1.163 175 L CA -0.585 54.222 54.840 -0.055 0.000 0.962 175 L CB -0.308 41.710 42.059 -0.068 0.000 1.258 175 L HN 0.310 nan 8.230 nan 0.000 0.513 176 A N 0.263 123.059 122.820 -0.040 0.000 2.287 176 A HA 0.238 4.558 4.320 0.000 0.000 0.273 176 A C 0.105 177.668 177.584 -0.036 0.000 1.091 176 A CA -0.249 51.767 52.037 -0.036 0.000 0.817 176 A CB 0.420 19.402 19.000 -0.030 0.000 1.069 176 A HN 0.255 nan 8.150 nan 0.000 0.492 177 E N -0.020 120.160 120.200 -0.033 0.000 2.044 177 E HA 0.465 4.815 4.350 0.000 0.000 0.282 177 E C 0.475 177.058 176.600 -0.028 0.000 1.031 177 E CA 0.745 57.127 56.400 -0.031 0.000 0.824 177 E CB 0.156 29.839 29.700 -0.028 0.000 1.076 177 E HN 1.313 nan 8.360 nan 0.000 0.395 178 G N 2.651 111.433 108.800 -0.029 0.000 2.396 178 G HA2 -0.170 3.790 3.960 0.000 0.000 0.254 178 G HA3 -0.170 3.790 3.960 0.000 0.000 0.254 178 G C -0.581 174.300 174.900 -0.031 0.000 1.248 178 G CA -0.616 44.467 45.100 -0.028 0.000 1.033 178 G HN 0.445 nan 8.290 nan 0.000 0.502 179 T N 1.106 115.641 114.554 -0.033 0.000 2.824 179 T HA 0.706 5.056 4.350 0.000 0.000 0.280 179 T C -0.037 174.641 174.700 -0.036 0.000 0.995 179 T CA 0.200 62.277 62.100 -0.038 0.000 1.009 179 T CB 1.552 70.392 68.868 -0.047 0.000 0.955 179 T HN 0.734 nan 8.240 nan 0.000 0.452 180 T N 3.501 118.036 114.554 -0.032 0.000 2.855 180 T HA 0.662 5.012 4.350 0.000 0.000 0.281 180 T C -0.386 174.303 174.700 -0.019 0.000 1.007 180 T CA -0.527 61.562 62.100 -0.017 0.000 1.009 180 T CB 0.707 69.569 68.868 -0.010 0.000 0.983 180 T HN 0.410 nan 8.240 nan 0.000 0.455 181 I N 3.233 123.807 120.570 0.007 0.000 2.478 181 I HA 0.431 4.601 4.170 0.000 0.000 0.287 181 I C -0.721 175.475 176.117 0.130 0.000 1.042 181 I CA -0.759 60.551 61.300 0.018 0.000 1.067 181 I CB 1.799 39.720 38.000 -0.132 0.000 1.233 181 I HN 0.463 nan 8.210 nan 0.000 0.431 182 I N 5.883 126.507 120.570 0.089 0.000 2.307 182 I HA 0.260 4.430 4.170 0.000 0.000 0.289 182 I C 0.086 176.262 176.117 0.098 0.000 1.021 182 I CA -0.589 60.767 61.300 0.095 0.000 1.224 182 I CB 0.877 38.909 38.000 0.054 0.000 1.376 182 I HN 0.434 nan 8.210 nan 0.000 0.470 183 E N 5.000 125.268 120.200 0.113 0.000 2.266 183 E HA 0.114 4.464 4.350 0.000 0.000 0.277 183 E C 0.159 176.786 176.600 0.045 0.000 1.018 183 E CA -0.335 56.115 56.400 0.083 0.000 0.840 183 E CB 1.049 30.784 29.700 0.059 0.000 1.082 183 E HN 0.559 nan 8.360 nan 0.000 0.395 184 N N 0.609 119.328 118.700 0.032 0.000 2.758 184 N HA -0.222 4.518 4.740 0.000 0.000 0.248 184 N C -1.122 174.399 175.510 0.018 0.000 1.076 184 N CA 0.794 53.854 53.050 0.016 0.000 0.696 184 N CB -0.846 37.642 38.487 0.001 0.000 0.979 184 N HN 0.572 nan 8.380 nan 0.000 0.550 185 A N -0.073 122.763 122.820 0.026 0.000 2.366 185 A HA 0.705 5.025 4.320 0.000 0.000 0.249 185 A C 0.896 178.494 177.584 0.023 0.000 1.084 185 A CA 0.133 52.185 52.037 0.025 0.000 0.794 185 A CB 0.338 19.354 19.000 0.026 0.000 1.034 185 A HN 0.884 nan 8.150 nan 0.000 0.491 186 A N 0.629 123.464 122.820 0.024 0.000 2.440 186 A HA 0.484 4.804 4.320 0.000 0.000 0.251 186 A C 0.719 178.328 177.584 0.041 0.000 1.089 186 A CA -0.270 51.787 52.037 0.034 0.000 0.779 186 A CB 0.020 19.043 19.000 0.037 0.000 1.022 186 A HN 0.762 nan 8.150 nan 0.000 0.492 187 R N 0.617 121.157 120.500 0.067 0.000 2.393 187 R HA 0.166 4.506 4.340 0.000 0.000 0.244 187 R C -0.368 175.991 176.300 0.098 0.000 0.920 187 R CA -0.084 56.070 56.100 0.090 0.000 1.076 187 R CB 0.037 30.407 30.300 0.117 0.000 1.119 187 R HN 0.773 nan 8.270 nan 0.000 0.524 188 E N 1.049 121.268 120.200 0.033 0.000 2.534 188 E HA -0.063 4.287 4.350 0.000 0.000 0.264 188 E C -1.606 174.880 176.600 -0.190 0.000 0.981 188 E CA -0.968 55.344 56.400 -0.147 0.000 0.948 188 E CB 0.388 30.044 29.700 -0.074 0.000 0.934 188 E HN -0.061 nan 8.360 nan 0.000 0.459 189 P HA -0.176 nan 4.420 nan 0.000 0.217 189 P C 0.342 177.583 177.300 -0.099 0.000 1.148 189 P CA 1.209 64.192 63.100 -0.196 0.000 0.828 189 P CB 0.298 31.855 31.700 -0.238 0.000 0.783 190 E N -0.978 119.163 120.200 -0.098 0.000 2.150 190 E HA -0.126 4.224 4.350 0.000 0.000 0.193 190 E C 1.959 178.522 176.600 -0.061 0.000 0.985 190 E CA 0.804 57.168 56.400 -0.060 0.000 0.814 190 E CB -0.860 28.815 29.700 -0.041 0.000 0.752 190 E HN 0.195 nan 8.360 nan 0.000 0.466 191 I N 0.254 120.792 120.570 -0.053 0.000 2.179 191 I HA -0.206 3.964 4.170 0.000 0.000 0.242 191 I C 2.129 178.223 176.117 -0.038 0.000 1.088 191 I CA 0.943 62.215 61.300 -0.046 0.000 1.357 191 I CB -0.990 36.998 38.000 -0.021 0.000 1.051 191 I HN 0.022 nan 8.210 nan 0.000 0.409 192 V N 1.030 120.929 119.914 -0.024 0.000 2.287 192 V HA -0.302 3.818 4.120 0.000 0.000 0.248 192 V C 2.288 178.388 176.094 0.010 0.000 1.053 192 V CA 2.202 64.501 62.300 -0.003 0.000 1.027 192 V CB -0.710 31.118 31.823 0.008 0.000 0.646 192 V HN 0.310 nan 8.190 nan 0.000 0.447 193 D N -0.266 120.144 120.400 0.016 0.000 2.117 193 D HA -0.142 4.498 4.640 0.000 0.000 0.197 193 D C 2.276 178.541 176.300 -0.058 0.000 0.987 193 D CA 1.772 55.811 54.000 0.066 0.000 0.829 193 D CB -0.141 40.708 40.800 0.082 0.000 0.961 193 D HN 0.406 nan 8.370 nan 0.000 0.460 194 T N -0.333 114.169 114.554 -0.086 0.000 2.777 194 T HA -0.090 4.260 4.350 0.000 0.000 0.266 194 T C 1.917 176.573 174.700 -0.073 0.000 1.040 194 T CA 1.299 63.334 62.100 -0.107 0.000 1.141 194 T CB -0.404 68.377 68.868 -0.145 0.000 0.868 194 T HN 0.206 nan 8.240 nan 0.000 0.444 195 A N 2.706 125.485 122.820 -0.068 0.000 1.865 195 A HA -0.173 4.147 4.320 0.000 0.000 0.217 195 A C 2.229 179.763 177.584 -0.084 0.000 1.191 195 A CA 1.594 53.593 52.037 -0.063 0.000 0.623 195 A CB -0.683 18.294 19.000 -0.038 0.000 0.826 195 A HN 0.393 nan 8.150 nan 0.000 0.444 196 N N -1.027 117.631 118.700 -0.070 0.000 2.289 196 N HA -0.125 4.615 4.740 0.000 0.000 0.184 196 N C 1.343 176.711 175.510 -0.237 0.000 1.016 196 N CA 1.389 54.408 53.050 -0.051 0.000 0.872 196 N CB -0.585 37.981 38.487 0.132 0.000 0.973 196 N HN 0.572 nan 8.380 nan 0.000 0.433 197 F N 1.738 121.263 119.950 -0.708 0.000 2.113 197 F HA -0.001 4.526 4.527 0.000 0.000 0.297 197 F C 1.994 177.578 175.800 -0.360 0.000 1.103 197 F CA 0.952 58.424 58.000 -0.879 0.000 1.248 197 F CB -0.542 37.947 39.000 -0.851 0.000 0.999 197 F HN -0.104 nan 8.300 nan 0.000 0.475 198 L N -0.356 120.618 121.223 -0.416 0.000 2.042 198 L HA -0.242 4.099 4.340 0.000 0.000 0.210 198 L C 2.419 179.101 176.870 -0.314 0.000 1.076 198 L CA 1.195 55.792 54.840 -0.404 0.000 0.749 198 L CB -0.978 40.971 42.059 -0.184 0.000 0.893 198 L HN 0.037 nan 8.230 nan 0.000 0.432 199 V N 0.065 119.852 119.914 -0.210 0.000 2.407 199 V HA -0.292 3.828 4.120 0.000 0.000 0.248 199 V C 2.708 178.718 176.094 -0.139 0.000 1.055 199 V CA 1.745 63.963 62.300 -0.135 0.000 1.049 199 V CB -0.834 30.945 31.823 -0.073 0.000 0.662 199 V HN 0.499 nan 8.190 nan 0.000 0.455 200 A N -0.472 122.243 122.820 -0.175 0.000 2.015 200 A HA -0.071 4.249 4.320 0.000 0.000 0.219 200 A C 2.066 179.542 177.584 -0.180 0.000 1.163 200 A CA 1.332 53.299 52.037 -0.117 0.000 0.646 200 A CB -0.410 18.575 19.000 -0.024 0.000 0.806 200 A HN 0.537 nan 8.150 nan 0.000 0.448 201 L N -1.668 119.363 121.223 -0.321 0.000 2.599 201 L HA 0.179 4.519 4.340 0.000 0.000 0.230 201 L C 1.676 178.443 176.870 -0.172 0.000 1.141 201 L CA 0.636 55.308 54.840 -0.279 0.000 0.877 201 L CB -0.061 41.750 42.059 -0.414 0.000 1.009 201 L HN 0.594 nan 8.230 nan 0.000 0.447 202 G N -0.692 108.020 108.800 -0.146 0.000 2.229 202 G HA2 -0.180 3.780 3.960 0.000 0.000 0.189 202 G HA3 -0.180 3.780 3.960 0.000 0.000 0.189 202 G C 0.409 175.252 174.900 -0.096 0.000 1.000 202 G CA -0.173 44.867 45.100 -0.100 0.000 0.663 202 G HN 0.408 nan 8.290 nan 0.000 0.493 203 A N 0.173 122.921 122.820 -0.120 0.000 2.406 203 A HA 0.621 4.941 4.320 0.000 0.000 0.243 203 A C 0.446 177.984 177.584 -0.077 0.000 1.082 203 A CA 0.561 52.538 52.037 -0.100 0.000 0.786 203 A CB 0.292 19.221 19.000 -0.117 0.000 1.029 203 A HN 0.380 nan 8.150 nan 0.000 0.495 204 K N 1.124 121.487 120.400 -0.062 0.000 2.464 204 K HA 0.578 4.898 4.320 0.000 0.000 0.252 204 K C -1.387 175.186 176.600 -0.045 0.000 1.000 204 K CA 0.292 56.550 56.287 -0.049 0.000 0.951 204 K CB 0.986 33.461 32.500 -0.042 0.000 1.183 204 K HN 0.585 nan 8.250 nan 0.000 0.445 205 I N 1.291 121.836 120.570 -0.042 0.000 2.730 205 I HA 0.351 4.521 4.170 0.000 0.000 0.298 205 I C -0.367 175.734 176.117 -0.026 0.000 1.089 205 I CA -0.786 60.493 61.300 -0.035 0.000 1.041 205 I CB 2.365 40.340 38.000 -0.041 0.000 1.235 205 I HN 0.553 nan 8.210 nan 0.000 0.423 206 S N 1.959 117.647 115.700 -0.021 0.000 2.556 206 S HA 0.813 5.283 4.470 0.000 0.000 0.271 206 S C 0.137 174.732 174.600 -0.009 0.000 1.135 206 S CA 0.008 58.200 58.200 -0.014 0.000 0.858 206 S CB 2.010 65.201 63.200 -0.015 0.000 1.114 206 S HN 1.396 nan 8.310 nan 0.000 0.468 207 G N 0.810 109.608 108.800 -0.003 0.000 2.213 207 G HA2 -0.242 3.718 3.960 0.000 0.000 0.236 207 G HA3 -0.242 3.718 3.960 0.000 0.000 0.236 207 G C 0.139 175.043 174.900 0.006 0.000 0.991 207 G CA 0.097 45.198 45.100 0.002 0.000 0.629 207 G HN 1.338 nan 8.290 nan 0.000 0.517 208 Q N 0.517 120.319 119.800 0.003 0.000 2.283 208 Q HA 0.370 4.710 4.340 0.000 0.000 0.301 208 Q C 1.172 177.181 176.000 0.015 0.000 1.063 208 Q CA 1.229 57.035 55.803 0.005 0.000 0.952 208 Q CB 0.816 29.552 28.738 -0.002 0.000 1.166 208 Q HN 1.886 nan 8.270 nan 0.000 0.381 209 G N 2.250 111.063 108.800 0.022 0.000 2.213 209 G HA2 -0.282 3.678 3.960 0.000 0.000 0.226 209 G HA3 -0.282 3.678 3.960 0.000 0.000 0.226 209 G C 0.254 175.180 174.900 0.042 0.000 0.992 209 G CA 0.302 45.425 45.100 0.039 0.000 0.632 209 G HN 1.150 nan 8.290 nan 0.000 0.511 210 T N -1.634 112.938 114.554 0.029 0.000 2.919 210 T HA 0.563 4.913 4.350 0.000 0.000 0.282 210 T C 0.884 175.600 174.700 0.026 0.000 1.020 210 T CA 0.643 62.759 62.100 0.026 0.000 0.994 210 T CB 1.643 70.522 68.868 0.018 0.000 1.180 210 T HN 0.224 nan 8.240 nan 0.000 0.566 211 D N -1.110 119.304 120.400 0.023 0.000 2.349 211 D HA 0.056 4.696 4.640 0.000 0.000 0.224 211 D C 0.681 176.999 176.300 0.030 0.000 1.029 211 D CA -0.025 53.990 54.000 0.024 0.000 0.879 211 D CB -0.072 40.740 40.800 0.019 0.000 0.906 211 D HN 0.596 nan 8.370 nan 0.000 0.528 212 R N 0.662 121.179 120.500 0.029 0.000 2.500 212 R HA 0.460 4.801 4.340 0.000 0.000 0.299 212 R C -1.664 174.649 176.300 0.022 0.000 1.038 212 R CA -0.555 55.565 56.100 0.034 0.000 0.903 212 R CB 0.570 30.891 30.300 0.036 0.000 1.177 212 R HN 0.020 nan 8.270 nan 0.000 0.455 213 I N 3.649 124.233 120.570 0.023 0.000 2.377 213 I HA 0.346 4.516 4.170 0.000 0.000 0.293 213 I C -0.333 175.785 176.117 0.001 0.000 0.987 213 I CA -0.825 60.480 61.300 0.009 0.000 1.185 213 I CB 2.384 40.389 38.000 0.007 0.000 1.341 213 I HN 0.609 nan 8.210 nan 0.000 0.455 214 T N 7.083 121.629 114.554 -0.012 0.000 2.792 214 T HA 0.638 4.988 4.350 0.000 0.000 0.280 214 T C -0.403 174.281 174.700 -0.026 0.000 0.990 214 T CA -0.314 61.771 62.100 -0.025 0.000 0.960 214 T CB 1.040 69.888 68.868 -0.035 0.000 0.939 214 T HN 0.172 nan 8.240 nan 0.000 0.439 215 I N 2.465 123.018 120.570 -0.028 0.000 2.465 215 I HA 0.366 4.536 4.170 0.000 0.000 0.291 215 I C 0.147 176.243 176.117 -0.035 0.000 1.014 215 I CA -0.578 60.703 61.300 -0.031 0.000 1.093 215 I CB 1.986 39.969 38.000 -0.029 0.000 1.267 215 I HN 0.541 nan 8.210 nan 0.000 0.431 216 E N 4.750 124.928 120.200 -0.037 0.000 2.102 216 E HA 0.508 4.858 4.350 0.000 0.000 0.263 216 E C 0.144 176.721 176.600 -0.039 0.000 0.894 216 E CA -0.622 55.756 56.400 -0.037 0.000 0.746 216 E CB 1.120 30.798 29.700 -0.036 0.000 1.129 216 E HN 0.851 nan 8.360 nan 0.000 0.416 217 G N 2.321 111.098 108.800 -0.038 0.000 2.647 217 G HA2 0.249 4.209 3.960 0.000 0.000 0.234 217 G HA3 0.249 4.209 3.960 0.000 0.000 0.234 217 G C 0.080 174.955 174.900 -0.043 0.000 1.252 217 G CA 0.182 45.258 45.100 -0.041 0.000 0.846 217 G HN 0.446 nan 8.290 nan 0.000 0.589 218 V N -1.320 118.565 119.914 -0.048 0.000 3.141 218 V HA 0.557 4.677 4.120 0.000 0.000 0.312 218 V C 0.826 176.889 176.094 -0.052 0.000 1.157 218 V CA -0.761 61.510 62.300 -0.048 0.000 1.041 218 V CB 1.891 33.683 31.823 -0.052 0.000 1.071 218 V HN 0.779 nan 8.190 nan 0.000 0.441 219 E N 1.057 121.228 120.200 -0.049 0.000 2.072 219 E HA -0.032 4.318 4.350 0.000 0.000 0.191 219 E C 0.431 176.993 176.600 -0.063 0.000 0.985 219 E CA 1.734 58.103 56.400 -0.052 0.000 0.801 219 E CB 0.130 29.804 29.700 -0.043 0.000 0.750 219 E HN 0.767 nan 8.360 nan 0.000 0.452 220 R N -0.884 119.578 120.500 -0.062 0.000 2.716 220 R HA 0.531 4.871 4.340 0.000 0.000 0.271 220 R C -1.391 174.867 176.300 -0.070 0.000 1.028 220 R CA -0.756 55.301 56.100 -0.071 0.000 0.883 220 R CB 0.923 31.185 30.300 -0.064 0.000 1.250 220 R HN -0.155 nan 8.270 nan 0.000 0.465 221 L N 1.016 122.193 121.223 -0.076 0.000 2.334 221 L HA 0.602 4.942 4.340 0.000 0.000 0.276 221 L C 0.637 177.465 176.870 -0.069 0.000 1.014 221 L CA -0.670 54.118 54.840 -0.087 0.000 0.815 221 L CB 2.040 44.033 42.059 -0.110 0.000 1.268 221 L HN 1.002 nan 8.230 nan 0.000 0.428 222 G N 1.248 110.005 108.800 -0.072 0.000 3.311 222 G HA2 0.604 4.564 3.960 0.000 0.000 0.169 222 G HA3 0.604 4.564 3.960 0.000 0.000 0.169 222 G C 0.047 174.923 174.900 -0.039 0.000 1.852 222 G CA 0.414 45.487 45.100 -0.045 0.000 1.010 222 G HN 0.759 nan 8.290 nan 0.000 0.530 223 G N -3.145 105.639 108.800 -0.027 0.000 2.870 223 G HA2 0.712 4.672 3.960 0.000 0.000 0.299 223 G HA3 0.712 4.672 3.960 0.000 0.000 0.299 223 G C -0.374 174.527 174.900 0.002 0.000 1.324 223 G CA 0.151 45.251 45.100 0.000 0.000 0.808 223 G HN 1.825 nan 8.290 nan 0.000 0.535 224 G N -2.608 106.224 108.800 0.054 0.000 2.352 224 G HA2 0.507 4.467 3.960 0.000 0.000 0.283 224 G HA3 0.507 4.467 3.960 0.000 0.000 0.283 224 G C -2.026 172.947 174.900 0.122 0.000 1.308 224 G CA 0.190 45.333 45.100 0.071 0.000 0.892 224 G HN 1.430 nan 8.290 nan 0.000 0.504 225 V N 0.479 120.472 119.914 0.130 0.000 2.531 225 V HA 0.715 4.835 4.120 0.000 0.000 0.301 225 V C -1.313 174.900 176.094 0.198 0.000 1.034 225 V CA -0.567 61.810 62.300 0.128 0.000 0.865 225 V CB 1.529 33.393 31.823 0.068 0.000 0.995 225 V HN 0.937 nan 8.190 nan 0.000 0.424 226 Y N 4.263 124.604 120.300 0.068 0.000 2.457 226 Y HA 0.600 5.150 4.550 0.000 0.000 0.343 226 Y C -0.205 175.680 175.900 -0.024 0.000 0.994 226 Y CA -0.818 57.328 58.100 0.077 0.000 1.031 226 Y CB 1.698 40.316 38.460 0.264 0.000 1.246 226 Y HN 0.619 nan 8.280 nan 0.000 0.449 227 R N 5.459 125.632 120.500 -0.545 0.000 2.255 227 R HA 0.572 4.912 4.340 0.000 0.000 0.326 227 R C -1.357 174.739 176.300 -0.340 0.000 0.986 227 R CA -0.524 55.369 56.100 -0.345 0.000 0.847 227 R CB 0.823 30.955 30.300 -0.281 0.000 1.111 227 R HN 0.622 nan 8.270 nan 0.000 0.452 228 V N 6.366 126.215 119.914 -0.108 0.000 2.763 228 V HA -0.016 4.104 4.120 0.000 0.000 0.306 228 V C 1.028 177.093 176.094 -0.049 0.000 1.059 228 V CA -0.071 62.219 62.300 -0.016 0.000 1.138 228 V CB 0.541 32.344 31.823 -0.033 0.000 0.940 228 V HN 0.690 nan 8.190 nan 0.000 0.489 229 L N 4.687 125.905 121.223 -0.008 0.000 2.472 229 L HA 0.549 4.889 4.340 0.000 0.000 0.260 229 L C -2.395 174.462 176.870 -0.021 0.000 1.209 229 L CA -1.674 53.153 54.840 -0.022 0.000 0.817 229 L CB -0.002 42.055 42.059 -0.002 0.000 1.106 229 L HN 0.348 nan 8.230 nan 0.000 0.479 230 P HA -0.012 nan 4.420 nan 0.000 0.269 230 P C -1.157 176.139 177.300 -0.007 0.000 1.209 230 P CA 0.037 63.134 63.100 -0.006 0.000 0.776 230 P CB 0.340 32.043 31.700 0.005 0.000 0.876 231 D N 2.793 123.192 120.400 -0.002 0.000 2.374 231 D HA -0.004 4.636 4.640 0.000 0.000 0.240 231 D C 1.328 177.629 176.300 0.001 0.000 1.229 231 D CA -0.101 53.890 54.000 -0.015 0.000 0.895 231 D CB 0.519 41.300 40.800 -0.031 0.000 1.046 231 D HN 0.339 nan 8.370 nan 0.000 0.498 232 R N 3.732 124.225 120.500 -0.012 0.000 2.120 232 R HA -0.124 4.216 4.340 0.000 0.000 0.234 232 R C 1.405 177.710 176.300 0.007 0.000 1.123 232 R CA 0.595 56.695 56.100 0.000 0.000 0.975 232 R CB -0.145 30.142 30.300 -0.021 0.000 0.866 232 R HN 0.339 nan 8.270 nan 0.000 0.446 233 I N 1.759 122.317 120.570 -0.020 0.000 2.353 233 I HA -0.128 4.042 4.170 0.000 0.000 0.248 233 I C 2.503 178.627 176.117 0.011 0.000 1.119 233 I CA 1.183 62.471 61.300 -0.019 0.000 1.417 233 I CB -1.190 36.775 38.000 -0.059 0.000 1.078 233 I HN 0.362 nan 8.210 nan 0.000 0.421 234 E N 0.927 121.121 120.200 -0.011 0.000 2.077 234 E HA -0.190 4.160 4.350 0.000 0.000 0.193 234 E C 2.046 178.785 176.600 0.233 0.000 0.989 234 E CA 1.952 58.407 56.400 0.091 0.000 0.800 234 E CB 0.178 29.945 29.700 0.112 0.000 0.746 234 E HN 0.386 nan 8.360 nan 0.000 0.452 235 T N -0.136 114.532 114.554 0.191 0.000 2.652 235 T HA -0.156 4.194 4.350 0.000 0.000 0.267 235 T C 1.752 176.567 174.700 0.192 0.000 1.039 235 T CA 1.355 63.584 62.100 0.214 0.000 1.153 235 T CB -0.736 68.210 68.868 0.130 0.000 0.863 235 T HN 0.411 nan 8.240 nan 0.000 0.428 236 G N 0.934 109.812 108.800 0.131 0.000 2.442 236 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 236 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 236 G C 1.715 176.688 174.900 0.121 0.000 1.141 236 G CA 1.491 46.673 45.100 0.136 0.000 0.763 236 G HN 0.463 nan 8.290 nan 0.000 0.554 237 T N 0.862 115.461 114.554 0.076 0.000 2.708 237 T HA -0.084 4.266 4.350 0.000 0.000 0.266 237 T C 2.053 176.675 174.700 -0.129 0.000 1.037 237 T CA 1.127 63.200 62.100 -0.045 0.000 1.146 237 T CB -0.352 68.475 68.868 -0.068 0.000 0.865 237 T HN 0.293 nan 8.240 nan 0.000 0.435 238 F N 0.780 120.787 119.950 0.094 0.000 2.234 238 F HA 0.109 4.636 4.527 0.000 0.000 0.299 238 F C 2.128 177.951 175.800 0.038 0.000 1.087 238 F CA 0.541 58.575 58.000 0.058 0.000 1.340 238 F CB -0.417 38.624 39.000 0.068 0.000 1.031 238 F HN 0.061 nan 8.300 nan 0.000 0.500 239 L N -0.796 120.553 121.223 0.209 0.000 2.083 239 L HA -0.202 4.138 4.340 0.000 0.000 0.209 239 L C 2.297 179.201 176.870 0.056 0.000 1.083 239 L CA 0.679 55.599 54.840 0.133 0.000 0.752 239 L CB -0.682 41.458 42.059 0.135 0.000 0.899 239 L HN -0.021 nan 8.230 nan 0.000 0.433 240 V N -0.107 119.812 119.914 0.008 0.000 2.515 240 V HA -0.233 3.887 4.120 0.000 0.000 0.250 240 V C 2.707 178.758 176.094 -0.073 0.000 1.058 240 V CA 1.516 63.752 62.300 -0.106 0.000 1.064 240 V CB -0.603 31.109 31.823 -0.185 0.000 0.675 240 V HN 0.463 nan 8.190 nan 0.000 0.461 241 A N 0.159 122.966 122.820 -0.022 0.000 1.908 241 A HA -0.182 4.138 4.320 0.000 0.000 0.218 241 A C 2.418 180.011 177.584 0.015 0.000 1.181 241 A CA 2.299 54.336 52.037 -0.000 0.000 0.627 241 A CB -0.734 18.309 19.000 0.072 0.000 0.818 241 A HN 0.565 nan 8.150 nan 0.000 0.445 242 A N -0.338 122.504 122.820 0.037 0.000 1.872 242 A HA 0.244 4.564 4.320 0.000 0.000 0.214 242 A C 2.519 180.097 177.584 -0.010 0.000 1.187 242 A CA 1.905 53.953 52.037 0.019 0.000 0.614 242 A CB -1.102 17.916 19.000 0.030 0.000 0.826 242 A HN 1.132 nan 8.150 nan 0.000 0.442 243 A N 0.546 123.353 122.820 -0.022 0.000 1.978 243 A HA -0.122 4.198 4.320 0.000 0.000 0.220 243 A C 2.013 179.568 177.584 -0.049 0.000 1.170 243 A CA 1.639 53.652 52.037 -0.040 0.000 0.636 243 A CB -0.826 18.135 19.000 -0.065 0.000 0.810 243 A HN 1.025 nan 8.150 nan 0.000 0.448 244 I N -3.045 117.490 120.570 -0.058 0.000 3.728 244 I HA 0.121 4.291 4.170 0.000 0.000 0.307 244 I C 1.350 177.448 176.117 -0.031 0.000 1.276 244 I CA 1.086 62.354 61.300 -0.053 0.000 1.285 244 I CB 0.239 38.197 38.000 -0.069 0.000 1.038 244 I HN 0.230 nan 8.210 nan 0.000 0.445 245 S N -0.048 115.638 115.700 -0.022 0.000 2.663 245 S HA 0.443 4.913 4.470 0.000 0.000 0.243 245 S C 1.496 176.090 174.600 -0.009 0.000 1.009 245 S CA 0.148 58.340 58.200 -0.013 0.000 0.988 245 S CB 0.210 63.405 63.200 -0.009 0.000 0.896 245 S HN 0.715 nan 8.310 nan 0.000 0.502 246 G N 0.582 109.375 108.800 -0.010 0.000 2.180 246 G HA2 -0.189 3.771 3.960 0.000 0.000 0.263 246 G HA3 -0.189 3.771 3.960 0.000 0.000 0.263 246 G C 0.583 175.475 174.900 -0.014 0.000 0.989 246 G CA 0.179 45.275 45.100 -0.006 0.000 0.692 246 G HN 1.101 nan 8.290 nan 0.000 0.526 247 G N -1.111 107.679 108.800 -0.017 0.000 2.525 247 G HA2 0.577 4.538 3.960 0.000 0.000 0.287 247 G HA3 0.577 4.538 3.960 0.000 0.000 0.287 247 G C -0.240 174.634 174.900 -0.043 0.000 1.350 247 G CA 0.115 45.203 45.100 -0.022 0.000 1.039 247 G HN 0.451 nan 8.290 nan 0.000 0.513 248 K N -0.544 119.833 120.400 -0.038 0.000 2.468 248 K HA 0.576 4.896 4.320 0.000 0.000 0.252 248 K C -1.831 174.757 176.600 -0.019 0.000 0.932 248 K CA -0.620 55.637 56.287 -0.049 0.000 0.794 248 K CB 2.139 34.595 32.500 -0.074 0.000 1.241 248 K HN 0.483 nan 8.250 nan 0.000 0.428 249 I N 2.368 122.938 120.570 0.000 0.000 2.994 249 I HA 0.464 4.635 4.170 0.000 0.000 0.306 249 I C -1.618 174.518 176.117 0.031 0.000 1.195 249 I CA -0.924 60.383 61.300 0.012 0.000 1.001 249 I CB 2.407 40.429 38.000 0.037 0.000 1.244 249 I HN 0.305 nan 8.210 nan 0.000 0.437 250 V N 5.058 124.980 119.914 0.015 0.000 2.483 250 V HA 0.355 4.475 4.120 0.000 0.000 0.297 250 V C -0.745 175.376 176.094 0.046 0.000 1.027 250 V CA -0.567 61.761 62.300 0.047 0.000 0.855 250 V CB 1.443 33.245 31.823 -0.036 0.000 0.995 250 V HN 0.781 nan 8.190 nan 0.000 0.424 251 C N 6.172 125.541 119.300 0.115 0.000 2.285 251 C HA 0.620 5.080 4.460 0.000 0.000 0.335 251 C C 0.545 175.614 174.990 0.132 0.000 1.267 251 C CA -1.038 58.032 59.018 0.088 0.000 1.762 251 C CB 0.037 27.847 27.740 0.117 0.000 2.365 251 C HN 0.740 nan 8.230 nan 0.000 0.527 252 R N 2.389 122.932 120.500 0.071 0.000 2.573 252 R HA 0.287 4.627 4.340 0.000 0.000 0.272 252 R C 0.275 176.619 176.300 0.074 0.000 1.009 252 R CA -0.408 55.748 56.100 0.093 0.000 1.059 252 R CB 0.286 30.605 30.300 0.031 0.000 1.112 252 R HN 0.780 nan 8.270 nan 0.000 0.517 253 N N -1.278 117.472 118.700 0.083 0.000 2.754 253 N HA -0.190 4.550 4.740 0.000 0.000 0.248 253 N C -1.094 174.444 175.510 0.047 0.000 1.093 253 N CA 1.172 54.252 53.050 0.051 0.000 0.699 253 N CB -0.937 37.566 38.487 0.026 0.000 1.016 253 N HN 0.745 nan 8.380 nan 0.000 0.552 254 A N -0.200 122.659 122.820 0.065 0.000 2.269 254 A HA 0.718 5.038 4.320 0.000 0.000 0.327 254 A C 0.193 177.784 177.584 0.011 0.000 1.112 254 A CA -0.389 51.676 52.037 0.046 0.000 0.865 254 A CB 1.142 20.183 19.000 0.068 0.000 1.227 254 A HN 0.216 nan 8.150 nan 0.000 0.498 255 Q N 0.538 120.337 119.800 -0.002 0.000 2.771 255 Q HA 0.306 4.646 4.340 0.000 0.000 0.247 255 Q C -2.277 173.708 176.000 -0.025 0.000 0.986 255 Q CA -1.765 54.025 55.803 -0.021 0.000 0.713 255 Q CB 1.239 29.969 28.738 -0.015 0.000 1.241 255 Q HN 0.438 nan 8.270 nan 0.000 0.488 256 P HA -0.247 nan 4.420 nan 0.000 0.218 256 P C 0.627 177.911 177.300 -0.025 0.000 1.154 256 P CA 1.820 64.886 63.100 -0.056 0.000 0.872 256 P CB 0.178 31.803 31.700 -0.125 0.000 0.790 257 D N -1.410 118.976 120.400 -0.022 0.000 2.384 257 D HA -0.121 4.519 4.640 0.000 0.000 0.222 257 D C 1.153 177.482 176.300 0.047 0.000 0.976 257 D CA 1.514 55.516 54.000 0.004 0.000 0.915 257 D CB -1.541 39.260 40.800 0.002 0.000 0.896 257 D HN 0.258 nan 8.370 nan 0.000 0.523 258 T N -2.714 111.866 114.554 0.044 0.000 3.086 258 T HA 0.228 4.578 4.350 0.000 0.000 0.250 258 T C 1.180 175.943 174.700 0.105 0.000 1.074 258 T CA -0.302 61.847 62.100 0.082 0.000 0.988 258 T CB -0.292 68.578 68.868 0.002 0.000 0.988 258 T HN 0.201 nan 8.240 nan 0.000 0.530 259 L N 0.578 121.837 121.223 0.060 0.000 3.366 259 L HA 0.368 4.708 4.340 0.000 0.000 0.304 259 L C 0.809 177.693 176.870 0.023 0.000 1.292 259 L CA -0.324 54.538 54.840 0.037 0.000 1.012 259 L CB 0.543 42.621 42.059 0.032 0.000 1.414 259 L HN -0.013 nan 8.230 nan 0.000 0.603 260 D N 1.606 122.015 120.400 0.016 0.000 2.106 260 D HA -0.234 4.406 4.640 0.000 0.000 0.191 260 D C 2.147 178.451 176.300 0.006 0.000 0.997 260 D CA 1.823 55.824 54.000 0.002 0.000 0.834 260 D CB 0.201 40.990 40.800 -0.018 0.000 0.956 260 D HN 0.405 nan 8.370 nan 0.000 0.448 261 A N 0.750 123.562 122.820 -0.014 0.000 1.883 261 A HA -0.159 4.161 4.320 0.000 0.000 0.217 261 A C 2.632 180.243 177.584 0.046 0.000 1.186 261 A CA 1.621 53.664 52.037 0.011 0.000 0.624 261 A CB -0.872 18.122 19.000 -0.009 0.000 0.822 261 A HN 0.158 nan 8.150 nan 0.000 0.444 262 V N 0.265 120.170 119.914 -0.015 0.000 2.295 262 V HA -0.265 3.855 4.120 0.000 0.000 0.246 262 V C 2.583 178.779 176.094 0.170 0.000 1.049 262 V CA 2.000 64.322 62.300 0.036 0.000 1.024 262 V CB -0.795 31.026 31.823 -0.004 0.000 0.648 262 V HN 0.569 nan 8.190 nan 0.000 0.447 263 L N 0.019 121.310 121.223 0.113 0.000 2.083 263 L HA -0.158 4.182 4.340 0.000 0.000 0.209 263 L C 2.744 179.684 176.870 0.117 0.000 1.083 263 L CA 1.534 56.444 54.840 0.117 0.000 0.752 263 L CB -0.888 41.212 42.059 0.068 0.000 0.899 263 L HN 0.376 nan 8.230 nan 0.000 0.433 264 A N -0.001 122.874 122.820 0.092 0.000 1.902 264 A HA -0.229 4.091 4.320 0.000 0.000 0.217 264 A C 2.301 179.952 177.584 0.111 0.000 1.181 264 A CA 1.758 53.843 52.037 0.081 0.000 0.623 264 A CB -0.336 18.696 19.000 0.054 0.000 0.818 264 A HN 0.159 nan 8.150 nan 0.000 0.443 265 K N -0.193 120.296 120.400 0.149 0.000 2.097 265 K HA 0.098 4.418 4.320 0.000 0.000 0.205 265 K C 1.758 178.538 176.600 0.300 0.000 1.050 265 K CA 0.944 57.347 56.287 0.194 0.000 0.938 265 K CB -0.483 32.101 32.500 0.139 0.000 0.718 265 K HN 0.509 nan 8.250 nan 0.000 0.442 266 L N 0.034 121.457 121.223 0.333 0.000 2.093 266 L HA -0.156 4.184 4.340 0.000 0.000 0.208 266 L C 2.320 179.283 176.870 0.156 0.000 1.085 266 L CA 1.208 56.206 54.840 0.262 0.000 0.755 266 L CB -0.262 41.933 42.059 0.227 0.000 0.904 266 L HN 0.155 nan 8.230 nan 0.000 0.435 267 R N 0.003 120.583 120.500 0.133 0.000 2.075 267 R HA -0.166 4.174 4.340 0.000 0.000 0.232 267 R C 2.085 178.439 176.300 0.090 0.000 1.126 267 R CA 1.238 57.397 56.100 0.098 0.000 0.963 267 R CB -0.251 30.097 30.300 0.081 0.000 0.858 267 R HN 0.434 nan 8.270 nan 0.000 0.435 268 E N 0.319 120.577 120.200 0.097 0.000 2.204 268 E HA -0.143 4.207 4.350 0.000 0.000 0.195 268 E C 1.640 178.289 176.600 0.082 0.000 0.990 268 E CA 1.035 57.484 56.400 0.081 0.000 0.821 268 E CB 0.034 29.781 29.700 0.078 0.000 0.750 268 E HN 0.339 nan 8.360 nan 0.000 0.477 269 A N -0.314 122.567 122.820 0.103 0.000 2.208 269 A HA 0.220 4.540 4.320 0.000 0.000 0.209 269 A C 1.644 179.266 177.584 0.062 0.000 1.161 269 A CA 0.930 53.017 52.037 0.082 0.000 0.782 269 A CB 0.036 19.088 19.000 0.087 0.000 0.816 269 A HN 0.341 nan 8.150 nan 0.000 0.477 270 G N -2.420 106.422 108.800 0.070 0.000 2.168 270 G HA2 0.188 4.148 3.960 0.000 0.000 0.197 270 G HA3 0.188 4.148 3.960 0.000 0.000 0.197 270 G C 0.321 175.267 174.900 0.077 0.000 0.997 270 G CA 0.058 45.199 45.100 0.068 0.000 0.658 270 G HN 1.431 nan 8.290 nan 0.000 0.513 271 A N 0.159 123.023 122.820 0.072 0.000 2.388 271 A HA 0.573 4.893 4.320 0.000 0.000 0.257 271 A C 0.111 177.743 177.584 0.079 0.000 1.095 271 A CA 0.557 52.632 52.037 0.062 0.000 0.791 271 A CB 0.588 19.622 19.000 0.056 0.000 1.029 271 A HN 0.529 nan 8.150 nan 0.000 0.489 272 D N 1.980 122.423 120.400 0.071 0.000 2.428 272 D HA 0.452 5.092 4.640 0.000 0.000 0.221 272 D C -0.605 175.743 176.300 0.080 0.000 1.123 272 D CA 0.071 54.136 54.000 0.108 0.000 0.869 272 D CB -0.054 40.869 40.800 0.205 0.000 1.032 272 D HN 0.348 nan 8.370 nan 0.000 0.506 273 I N 2.882 123.504 120.570 0.087 0.000 2.441 273 I HA 0.368 4.538 4.170 0.000 0.000 0.295 273 I C 0.302 176.475 176.117 0.093 0.000 0.994 273 I CA -0.764 60.589 61.300 0.089 0.000 1.144 273 I CB 1.727 39.774 38.000 0.078 0.000 1.314 273 I HN 0.250 nan 8.210 nan 0.000 0.445 274 E N 3.566 123.842 120.200 0.127 0.000 2.288 274 E HA 0.568 4.918 4.350 0.000 0.000 0.268 274 E C -1.049 175.550 176.600 -0.001 0.000 0.885 274 E CA -0.782 55.693 56.400 0.126 0.000 0.767 274 E CB 2.723 32.588 29.700 0.275 0.000 1.220 274 E HN 0.668 nan 8.360 nan 0.000 0.427 275 T N -1.260 113.128 114.554 -0.277 0.000 2.906 275 T HA 0.805 5.156 4.350 0.000 0.000 0.295 275 T C 0.118 174.103 174.700 -1.192 0.000 1.075 275 T CA -0.762 60.915 62.100 -0.705 0.000 1.005 275 T CB 1.953 70.597 68.868 -0.373 0.000 1.136 275 T HN 0.511 nan 8.240 nan 0.000 0.498 276 G N 0.025 107.739 108.800 -1.809 0.000 3.251 276 G HA2 0.497 4.457 3.960 0.000 0.000 0.248 276 G HA3 0.497 4.457 3.960 0.000 0.000 0.248 276 G C 0.267 174.745 174.900 -0.704 0.000 1.320 276 G CA -0.477 43.786 45.100 -1.395 0.000 0.982 276 G HN 0.708 nan 8.290 nan 0.000 0.575 277 E N -0.333 119.664 120.200 -0.338 0.000 2.072 277 E HA -0.084 4.266 4.350 0.000 0.000 0.191 277 E C 0.909 177.429 176.600 -0.134 0.000 0.985 277 E CA 2.042 58.351 56.400 -0.151 0.000 0.801 277 E CB 0.155 29.842 29.700 -0.022 0.000 0.750 277 E HN 0.469 nan 8.360 nan 0.000 0.452 278 D N -1.183 119.163 120.400 -0.091 0.000 2.760 278 D HA 0.071 4.711 4.640 0.000 0.000 0.314 278 D C -0.511 175.859 176.300 0.117 0.000 1.464 278 D CA -0.571 53.434 54.000 0.008 0.000 0.797 278 D CB -0.882 39.963 40.800 0.074 0.000 1.149 278 D HN 0.307 nan 8.370 nan 0.000 0.455 279 W N -0.119 121.185 121.300 0.006 0.000 3.137 279 W HA 0.675 5.335 4.660 0.000 0.000 0.324 279 W C -2.109 174.419 176.519 0.015 0.000 1.253 279 W CA -1.282 56.067 57.345 0.007 0.000 1.183 279 W CB 0.480 29.941 29.460 0.001 0.000 1.424 279 W HN -0.289 nan 8.180 nan 0.000 0.566 280 I N 2.936 123.716 120.570 0.351 0.000 2.619 280 I HA 0.350 4.520 4.170 0.000 0.000 0.292 280 I C -0.218 176.131 176.117 0.386 0.000 1.100 280 I CA -0.741 60.695 61.300 0.227 0.000 1.043 280 I CB 2.604 40.661 38.000 0.096 0.000 1.239 280 I HN 0.457 nan 8.210 nan 0.000 0.420 281 S N 6.796 122.729 115.700 0.389 0.000 2.513 281 S HA 0.831 5.301 4.470 0.000 0.000 0.299 281 S C -1.070 173.625 174.600 0.159 0.000 1.087 281 S CA -0.732 57.629 58.200 0.268 0.000 1.012 281 S CB 2.240 65.613 63.200 0.288 0.000 1.044 281 S HN 0.643 nan 8.310 nan 0.000 0.485 282 L N 2.272 123.550 121.223 0.091 0.000 2.410 282 L HA 0.676 5.016 4.340 0.000 0.000 0.270 282 L C -1.902 174.954 176.870 -0.023 0.000 0.983 282 L CA -0.302 54.566 54.840 0.046 0.000 0.822 282 L CB 1.868 43.962 42.059 0.057 0.000 1.285 282 L HN 0.834 nan 8.230 nan 0.000 0.409 283 D N 4.896 125.236 120.400 -0.100 0.000 2.696 283 D HA 0.284 4.924 4.640 0.000 0.000 0.251 283 D C 0.248 176.341 176.300 -0.346 0.000 1.188 283 D CA -0.426 53.406 54.000 -0.280 0.000 0.876 283 D CB 1.902 42.419 40.800 -0.473 0.000 1.334 283 D HN 0.490 nan 8.370 nan 0.000 0.540 284 M N 1.601 121.064 119.600 -0.229 0.000 2.509 284 M HA 0.023 4.503 4.480 0.000 0.000 0.250 284 M C 0.122 176.401 176.300 -0.035 0.000 1.132 284 M CA 0.295 55.535 55.300 -0.100 0.000 1.080 284 M CB -0.635 31.945 32.600 -0.034 0.000 1.408 284 M HN 0.492 nan 8.290 nan 0.000 0.484 285 H N 0.037 119.120 119.070 0.021 0.000 2.770 285 H HA -0.154 4.402 4.556 0.000 0.000 0.309 285 H C 1.338 176.674 175.328 0.013 0.000 1.206 285 H CA 0.899 56.958 56.048 0.017 0.000 1.147 285 H CB -2.234 27.540 29.762 0.019 0.000 1.422 285 H HN 0.635 nan 8.280 nan 0.000 0.420 286 G N -0.527 108.312 108.800 0.067 0.000 2.205 286 G HA2 -0.371 3.589 3.960 0.000 0.000 0.269 286 G HA3 -0.371 3.589 3.960 0.000 0.000 0.269 286 G C 0.437 175.365 174.900 0.046 0.000 0.977 286 G CA 0.969 46.097 45.100 0.047 0.000 0.652 286 G HN 0.409 nan 8.290 nan 0.000 0.539 287 K N 0.385 120.822 120.400 0.061 0.000 2.218 287 K HA 0.355 4.675 4.320 0.000 0.000 0.276 287 K C 0.767 177.385 176.600 0.031 0.000 1.022 287 K CA -0.769 55.548 56.287 0.051 0.000 0.946 287 K CB 1.136 33.677 32.500 0.069 0.000 1.000 287 K HN 0.488 nan 8.250 nan 0.000 0.468 288 R N 3.412 123.927 120.500 0.025 0.000 2.543 288 R HA 0.117 4.457 4.340 0.000 0.000 0.277 288 R C -1.963 174.347 176.300 0.017 0.000 1.074 288 R CA -1.004 55.105 56.100 0.015 0.000 1.076 288 R CB 0.300 30.609 30.300 0.015 0.000 0.993 288 R HN 0.370 nan 8.270 nan 0.000 0.459 289 P HA 0.078 nan 4.420 nan 0.000 0.272 289 P C -1.275 176.035 177.300 0.018 0.000 1.223 289 P CA -0.105 63.001 63.100 0.009 0.000 0.784 289 P CB 0.758 32.450 31.700 -0.014 0.000 0.923 290 K N 1.072 121.489 120.400 0.028 0.000 2.172 290 K HA 0.477 4.797 4.320 0.000 0.000 0.276 290 K C 0.251 176.871 176.600 0.035 0.000 1.013 290 K CA -0.631 55.675 56.287 0.032 0.000 0.913 290 K CB 1.339 33.861 32.500 0.037 0.000 1.055 290 K HN 0.555 nan 8.250 nan 0.000 0.461 291 A N 2.296 125.133 122.820 0.029 0.000 2.531 291 A HA 0.265 4.585 4.320 0.000 0.000 0.236 291 A C 0.371 177.976 177.584 0.034 0.000 1.062 291 A CA -0.226 51.827 52.037 0.027 0.000 0.760 291 A CB -0.077 18.932 19.000 0.016 0.000 0.995 291 A HN 0.548 nan 8.150 nan 0.000 0.501 292 V N -0.296 119.644 119.914 0.043 0.000 3.074 292 V HA 0.877 4.997 4.120 0.000 0.000 0.314 292 V C -0.107 175.987 176.094 -0.001 0.000 1.117 292 V CA -0.607 61.717 62.300 0.041 0.000 1.014 292 V CB 1.771 33.652 31.823 0.096 0.000 1.057 292 V HN 0.774 nan 8.190 nan 0.000 0.438 293 T N 1.891 116.426 114.554 -0.031 0.000 2.779 293 T HA 0.738 5.088 4.350 0.000 0.000 0.280 293 T C -0.575 174.040 174.700 -0.142 0.000 0.987 293 T CA -0.275 61.784 62.100 -0.069 0.000 0.966 293 T CB 1.317 70.156 68.868 -0.048 0.000 0.933 293 T HN 0.753 nan 8.240 nan 0.000 0.442 294 V N 3.516 123.305 119.914 -0.208 0.000 2.823 294 V HA 0.684 4.804 4.120 0.000 0.000 0.312 294 V C -0.266 175.675 176.094 -0.255 0.000 1.072 294 V CA -1.074 60.992 62.300 -0.391 0.000 0.937 294 V CB 2.278 33.625 31.823 -0.793 0.000 1.013 294 V HN 0.784 nan 8.190 nan 0.000 0.430 295 R N 2.107 122.472 120.500 -0.224 0.000 2.539 295 R HA 0.468 4.808 4.340 0.000 0.000 0.295 295 R C -0.199 176.100 176.300 -0.002 0.000 1.138 295 R CA -0.260 55.793 56.100 -0.078 0.000 0.936 295 R CB 1.494 31.769 30.300 -0.042 0.000 1.182 295 R HN 0.929 nan 8.270 nan 0.000 0.459 296 T N 1.136 115.729 114.554 0.065 0.000 2.900 296 T HA 0.640 4.990 4.350 0.000 0.000 0.307 296 T C 0.249 175.001 174.700 0.087 0.000 1.065 296 T CA 0.057 62.264 62.100 0.179 0.000 1.105 296 T CB 1.515 70.500 68.868 0.194 0.000 0.979 296 T HN 0.723 nan 8.240 nan 0.000 0.544 297 A N 2.765 125.635 122.820 0.084 0.000 2.544 297 A HA 0.718 5.038 4.320 0.000 0.000 0.291 297 A C -3.145 174.455 177.584 0.027 0.000 1.055 297 A CA -1.687 50.366 52.037 0.027 0.000 0.651 297 A CB 0.174 19.184 19.000 0.017 0.000 1.296 297 A HN 0.653 nan 8.150 nan 0.000 0.431 298 P HA 0.246 nan 4.420 nan 0.000 0.268 298 P C -0.321 177.011 177.300 0.055 0.000 1.208 298 P CA 0.374 63.493 63.100 0.031 0.000 0.777 298 P CB 0.154 31.862 31.700 0.014 0.000 0.875 299 H N 3.930 122.994 119.070 -0.011 0.000 2.948 299 H HA 0.006 4.562 4.556 0.000 0.000 0.351 299 H C -1.186 174.137 175.328 -0.008 0.000 1.079 299 H CA -0.599 55.440 56.048 -0.014 0.000 1.407 299 H CB 0.218 29.973 29.762 -0.012 0.000 1.373 299 H HN 0.323 nan 8.280 nan 0.000 0.605 300 P HA 0.123 nan 4.420 nan 0.000 0.255 300 P C -0.377 176.696 177.300 -0.378 0.000 1.301 300 P CA 0.210 62.715 63.100 -0.991 0.000 0.817 300 P CB -0.067 31.218 31.700 -0.692 0.000 1.259 301 A N 0.490 123.210 122.820 -0.168 0.000 2.262 301 A HA 0.247 4.567 4.320 0.000 0.000 0.273 301 A C -0.214 177.375 177.584 0.007 0.000 1.202 301 A CA -0.549 51.461 52.037 -0.045 0.000 0.811 301 A CB -0.558 18.443 19.000 0.001 0.000 1.159 301 A HN 0.172 nan 8.150 nan 0.000 0.505 302 F N 1.818 121.721 119.950 -0.079 0.000 2.571 302 F HA 0.278 4.805 4.527 0.000 0.000 0.384 302 F C -1.647 174.127 175.800 -0.042 0.000 1.058 302 F CA -1.532 56.412 58.000 -0.094 0.000 1.200 302 F CB 0.585 39.493 39.000 -0.152 0.000 1.077 302 F HN 0.254 nan 8.300 nan 0.000 0.558 303 P HA -0.019 nan 4.420 nan 0.000 0.276 303 P C 0.307 177.569 177.300 -0.064 0.000 1.235 303 P CA -0.065 62.924 63.100 -0.184 0.000 0.772 303 P CB 1.553 33.127 31.700 -0.210 0.000 0.871 304 T N 2.194 116.816 114.554 0.113 0.000 2.881 304 T HA -0.141 4.209 4.350 0.000 0.000 0.270 304 T C 1.713 176.517 174.700 0.173 0.000 1.068 304 T CA 1.626 63.853 62.100 0.211 0.000 1.131 304 T CB -0.582 68.438 68.868 0.253 0.000 0.871 304 T HN 0.445 nan 8.240 nan 0.000 0.479 305 A N 0.546 123.423 122.820 0.095 0.000 2.216 305 A HA 0.165 4.485 4.320 0.000 0.000 0.214 305 A C 2.060 179.676 177.584 0.052 0.000 1.160 305 A CA 0.892 52.964 52.037 0.058 0.000 0.725 305 A CB -0.332 18.684 19.000 0.026 0.000 0.784 305 A HN 0.513 nan 8.150 nan 0.000 0.472 306 M N -1.347 118.279 119.600 0.043 0.000 2.308 306 M HA 0.073 4.554 4.480 0.000 0.000 0.269 306 M C 1.854 178.399 176.300 0.409 0.000 1.040 306 M CA 0.349 55.727 55.300 0.129 0.000 1.024 306 M CB -0.257 32.271 32.600 -0.121 0.000 1.465 306 M HN 0.599 nan 8.290 nan 0.000 0.517 307 Q N 1.231 121.293 119.800 0.436 0.000 2.077 307 Q HA -0.177 4.163 4.340 0.000 0.000 0.206 307 Q C 1.754 177.940 176.000 0.309 0.000 0.989 307 Q CA 2.423 58.507 55.803 0.470 0.000 0.853 307 Q CB -0.011 28.960 28.738 0.388 0.000 0.907 307 Q HN 0.468 nan 8.270 nan 0.000 0.418 308 A N 0.505 123.367 122.820 0.071 0.000 1.908 308 A HA -0.259 4.061 4.320 0.000 0.000 0.218 308 A C 2.007 179.535 177.584 -0.094 0.000 1.181 308 A CA 1.879 53.702 52.037 -0.357 0.000 0.627 308 A CB -0.585 18.026 19.000 -0.648 0.000 0.818 308 A HN 0.507 nan 8.150 nan 0.000 0.445 309 Q N -1.252 118.574 119.800 0.043 0.000 2.084 309 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 309 Q C 1.639 177.681 176.000 0.070 0.000 0.978 309 Q CA 1.666 57.498 55.803 0.049 0.000 0.844 309 Q CB -0.454 28.332 28.738 0.081 0.000 0.898 309 Q HN 0.688 nan 8.270 nan 0.000 0.426 310 F N -0.013 120.014 119.950 0.129 0.000 2.407 310 F HA -0.083 4.444 4.527 0.000 0.000 0.299 310 F C 2.077 177.917 175.800 0.066 0.000 1.097 310 F CA 1.047 59.120 58.000 0.121 0.000 1.422 310 F CB -0.192 38.915 39.000 0.178 0.000 1.067 310 F HN 0.019 nan 8.300 nan 0.000 0.539 311 T N 0.443 115.138 114.554 0.234 0.000 2.777 311 T HA -0.184 4.166 4.350 0.000 0.000 0.266 311 T C 2.024 176.778 174.700 0.090 0.000 1.040 311 T CA 1.269 63.473 62.100 0.174 0.000 1.141 311 T CB -0.498 68.573 68.868 0.339 0.000 0.868 311 T HN 0.151 nan 8.240 nan 0.000 0.444 312 L N 1.371 122.637 121.223 0.072 0.000 2.017 312 L HA 0.051 4.391 4.340 0.000 0.000 0.208 312 L C 2.228 179.081 176.870 -0.029 0.000 1.073 312 L CA 1.541 56.389 54.840 0.015 0.000 0.745 312 L CB -0.931 41.120 42.059 -0.013 0.000 0.894 312 L HN 0.260 nan 8.230 nan 0.000 0.432 313 L N -0.361 120.816 121.223 -0.077 0.000 2.013 313 L HA -0.283 4.057 4.340 0.000 0.000 0.212 313 L C 2.253 179.093 176.870 -0.050 0.000 1.073 313 L CA 1.897 56.667 54.840 -0.117 0.000 0.753 313 L CB -0.555 41.335 42.059 -0.281 0.000 0.890 313 L HN 0.412 nan 8.230 nan 0.000 0.432 314 N N -0.046 118.647 118.700 -0.013 0.000 2.188 314 N HA -0.147 4.593 4.740 0.000 0.000 0.184 314 N C 1.821 177.324 175.510 -0.010 0.000 1.018 314 N CA 1.335 54.384 53.050 -0.002 0.000 0.858 314 N CB -0.360 38.129 38.487 0.002 0.000 0.989 314 N HN 0.378 nan 8.380 nan 0.000 0.426 315 L N 0.478 121.693 121.223 -0.013 0.000 2.362 315 L HA -0.051 4.289 4.340 0.000 0.000 0.219 315 L C 1.332 178.197 176.870 -0.007 0.000 1.134 315 L CA 0.592 55.425 54.840 -0.012 0.000 0.807 315 L CB -0.042 42.005 42.059 -0.019 0.000 0.927 315 L HN 0.087 nan 8.230 nan 0.000 0.447 316 V N -4.946 114.962 119.914 -0.011 0.000 3.159 316 V HA 0.543 4.663 4.120 0.000 0.000 0.333 316 V C 0.627 176.720 176.094 -0.002 0.000 1.424 316 V CA -0.264 62.031 62.300 -0.009 0.000 1.125 316 V CB -0.184 31.627 31.823 -0.020 0.000 1.075 316 V HN 0.089 nan 8.190 nan 0.000 0.482 317 A N 0.659 123.480 122.820 0.003 0.000 2.256 317 A HA 0.776 5.097 4.320 0.000 0.000 0.318 317 A C -0.059 177.539 177.584 0.022 0.000 1.103 317 A CA -0.502 51.541 52.037 0.009 0.000 0.860 317 A CB 1.060 20.064 19.000 0.007 0.000 1.182 317 A HN 0.472 nan 8.150 nan 0.000 0.501 318 E N -0.109 120.105 120.200 0.023 0.000 2.129 318 E HA 0.481 4.831 4.350 0.000 0.000 0.283 318 E C 0.435 177.054 176.600 0.032 0.000 1.080 318 E CA 1.275 57.693 56.400 0.029 0.000 0.867 318 E CB -0.157 29.558 29.700 0.026 0.000 1.056 318 E HN 1.651 nan 8.360 nan 0.000 0.404 319 G N 2.821 111.646 108.800 0.041 0.000 2.422 319 G HA2 -0.124 3.836 3.960 0.000 0.000 0.607 319 G HA3 -0.124 3.836 3.960 0.000 0.000 0.607 319 G C -0.705 174.227 174.900 0.053 0.000 1.270 319 G CA -0.480 44.647 45.100 0.045 0.000 0.992 319 G HN 0.511 nan 8.290 nan 0.000 0.499 320 T N 1.274 115.855 114.554 0.046 0.000 2.753 320 T HA 0.629 4.979 4.350 0.000 0.000 0.297 320 T C 0.694 175.377 174.700 -0.029 0.000 0.981 320 T CA 0.555 62.667 62.100 0.020 0.000 0.956 320 T CB 1.072 69.980 68.868 0.065 0.000 0.936 320 T HN 1.390 nan 8.240 nan 0.000 0.463 321 G N 1.826 110.587 108.800 -0.066 0.000 2.389 321 G HA2 0.602 4.562 3.960 0.000 0.000 0.328 321 G HA3 0.602 4.562 3.960 0.000 0.000 0.328 321 G C -0.967 173.877 174.900 -0.094 0.000 1.133 321 G CA -0.476 44.590 45.100 -0.057 0.000 0.891 321 G HN 0.622 nan 8.290 nan 0.000 0.485 322 V N 2.837 122.707 119.914 -0.074 0.000 2.483 322 V HA 0.445 4.565 4.120 0.000 0.000 0.297 322 V C -0.287 175.764 176.094 -0.071 0.000 1.027 322 V CA -0.538 61.713 62.300 -0.081 0.000 0.855 322 V CB 1.462 33.249 31.823 -0.060 0.000 0.995 322 V HN 0.626 nan 8.190 nan 0.000 0.424 323 I N 3.522 124.053 120.570 -0.065 0.000 2.406 323 I HA 0.491 4.661 4.170 0.000 0.000 0.290 323 I C -0.159 176.006 176.117 0.079 0.000 0.999 323 I CA -0.189 61.096 61.300 -0.025 0.000 1.124 323 I CB 2.259 40.264 38.000 0.008 0.000 1.289 323 I HN 0.502 nan 8.210 nan 0.000 0.441 324 T N 4.301 118.900 114.554 0.074 0.000 2.786 324 T HA 0.264 4.614 4.350 0.000 0.000 0.283 324 T C -0.465 174.308 174.700 0.122 0.000 0.992 324 T CA -0.469 61.708 62.100 0.129 0.000 0.954 324 T CB 1.372 70.271 68.868 0.051 0.000 0.934 324 T HN 0.440 nan 8.240 nan 0.000 0.440 325 E N 2.066 122.354 120.200 0.147 0.000 2.146 325 E HA 0.374 4.724 4.350 0.000 0.000 0.282 325 E C 0.900 177.485 176.600 -0.025 0.000 0.989 325 E CA -0.537 55.885 56.400 0.036 0.000 0.799 325 E CB 0.762 30.383 29.700 -0.133 0.000 1.088 325 E HN 0.646 nan 8.360 nan 0.000 0.397 326 T N 2.097 116.639 114.554 -0.021 0.000 3.044 326 T HA 0.189 4.539 4.350 0.000 0.000 0.260 326 T C 1.108 175.737 174.700 -0.117 0.000 1.019 326 T CA -0.154 61.913 62.100 -0.055 0.000 0.921 326 T CB -0.005 68.841 68.868 -0.038 0.000 1.053 326 T HN 0.401 nan 8.240 nan 0.000 0.533 327 I N -0.176 120.299 120.570 -0.158 0.000 2.729 327 I HA 0.399 4.569 4.170 0.000 0.000 0.256 327 I C 0.119 175.863 176.117 -0.620 0.000 1.115 327 I CA 0.034 61.099 61.300 -0.392 0.000 1.446 327 I CB -0.602 37.137 38.000 -0.436 0.000 1.176 327 I HN 0.204 nan 8.210 nan 0.000 0.446 328 F N 2.246 122.155 119.950 -0.068 0.000 2.482 328 F HA 0.244 4.771 4.527 0.000 0.000 0.331 328 F C 1.605 177.324 175.800 -0.134 0.000 1.115 328 F CA -0.785 57.163 58.000 -0.085 0.000 0.955 328 F CB 1.299 40.254 39.000 -0.075 0.000 1.136 328 F HN 0.001 nan 8.300 nan 0.000 0.452 329 E N 0.731 120.969 120.200 0.063 0.000 2.338 329 E HA -0.184 4.166 4.350 0.000 0.000 0.197 329 E C -0.075 176.482 176.600 -0.071 0.000 1.007 329 E CA 1.040 57.423 56.400 -0.027 0.000 0.849 329 E CB -0.144 29.550 29.700 -0.010 0.000 0.774 329 E HN 0.568 nan 8.360 nan 0.000 0.506 330 N N 0.231 118.902 118.700 -0.048 0.000 2.703 330 N HA 0.130 4.870 4.740 0.000 0.000 0.283 330 N C -0.868 174.595 175.510 -0.078 0.000 1.851 330 N CA -0.284 52.722 53.050 -0.073 0.000 0.826 330 N CB 0.507 38.980 38.487 -0.022 0.000 1.239 330 N HN -0.041 nan 8.380 nan 0.000 0.495 331 R N 0.939 121.332 120.500 -0.177 0.000 2.935 331 R HA 0.336 4.676 4.340 0.000 0.000 0.354 331 R C -0.562 175.821 176.300 0.138 0.000 1.206 331 R CA -0.019 56.051 56.100 -0.050 0.000 1.082 331 R CB -0.206 30.088 30.300 -0.010 0.000 1.431 331 R HN 0.337 nan 8.270 nan 0.000 0.582 332 F N -0.273 119.724 119.950 0.080 0.000 2.775 332 F HA 0.161 4.688 4.527 0.000 0.000 0.313 332 F C 1.274 176.953 175.800 -0.202 0.000 1.121 332 F CA -0.501 57.439 58.000 -0.101 0.000 1.206 332 F CB 0.702 39.643 39.000 -0.097 0.000 1.052 332 F HN 0.090 nan 8.300 nan 0.000 0.524 333 M N 0.208 119.900 119.600 0.154 0.000 2.446 333 M HA -0.186 4.294 4.480 0.000 0.000 0.263 333 M C 2.342 178.669 176.300 0.045 0.000 1.066 333 M CA 1.311 56.654 55.300 0.072 0.000 1.087 333 M CB -0.553 32.080 32.600 0.055 0.000 1.406 333 M HN 0.315 nan 8.290 nan 0.000 0.459 334 H N -1.231 117.865 119.070 0.043 0.000 2.470 334 H HA 0.067 4.623 4.556 0.000 0.000 0.289 334 H C 2.062 177.393 175.328 0.006 0.000 1.033 334 H CA 0.929 56.984 56.048 0.011 0.000 1.331 334 H CB -1.191 28.580 29.762 0.015 0.000 1.414 334 H HN 0.213 nan 8.280 nan 0.000 0.545 335 V N 2.557 122.194 119.914 -0.461 0.000 2.252 335 V HA -0.199 3.921 4.120 0.000 0.000 0.249 335 V C -0.246 175.771 176.094 -0.129 0.000 1.056 335 V CA 2.463 64.582 62.300 -0.301 0.000 1.022 335 V CB -1.438 30.164 31.823 -0.368 0.000 0.641 335 V HN 0.404 nan 8.190 nan 0.000 0.445 336 P HA -0.125 nan 4.420 nan 0.000 0.218 336 P C 1.562 178.844 177.300 -0.029 0.000 1.148 336 P CA 1.198 64.272 63.100 -0.044 0.000 0.822 336 P CB -0.020 31.664 31.700 -0.025 0.000 0.784 337 E N -0.530 119.657 120.200 -0.021 0.000 2.072 337 E HA -0.056 4.294 4.350 0.000 0.000 0.190 337 E C 2.118 178.711 176.600 -0.012 0.000 0.982 337 E CA 0.899 57.294 56.400 -0.008 0.000 0.803 337 E CB -0.895 28.809 29.700 0.007 0.000 0.755 337 E HN 0.319 nan 8.360 nan 0.000 0.453 338 L N 0.553 121.769 121.223 -0.013 0.000 2.141 338 L HA -0.083 4.257 4.340 0.000 0.000 0.209 338 L C 2.458 179.300 176.870 -0.046 0.000 1.094 338 L CA 0.592 55.420 54.840 -0.020 0.000 0.763 338 L CB -0.316 41.739 42.059 -0.007 0.000 0.908 338 L HN 0.069 nan 8.230 nan 0.000 0.437 339 I N -0.506 120.035 120.570 -0.048 0.000 2.454 339 I HA -0.269 3.901 4.170 0.000 0.000 0.254 339 I C 2.593 178.680 176.117 -0.049 0.000 1.156 339 I CA 1.076 62.344 61.300 -0.054 0.000 1.433 339 I CB -0.243 37.740 38.000 -0.028 0.000 1.082 339 I HN 0.207 nan 8.210 nan 0.000 0.432 340 R N 0.224 120.704 120.500 -0.033 0.000 2.148 340 R HA -0.039 4.301 4.340 0.000 0.000 0.227 340 R C 1.799 178.079 176.300 -0.033 0.000 1.103 340 R CA 1.030 57.115 56.100 -0.024 0.000 0.983 340 R CB -0.088 30.204 30.300 -0.014 0.000 0.874 340 R HN 0.350 nan 8.270 nan 0.000 0.451 341 M N -0.670 118.905 119.600 -0.042 0.000 2.505 341 M HA 0.153 4.633 4.480 0.000 0.000 0.230 341 M C 0.627 176.882 176.300 -0.076 0.000 1.153 341 M CA 0.384 55.657 55.300 -0.046 0.000 0.997 341 M CB 1.213 33.792 32.600 -0.036 0.000 1.606 341 M HN 0.410 nan 8.290 nan 0.000 0.481 342 G N 0.383 109.118 108.800 -0.108 0.000 2.175 342 G HA2 -0.198 3.762 3.960 0.000 0.000 0.244 342 G HA3 -0.198 3.762 3.960 0.000 0.000 0.244 342 G C 0.206 174.893 174.900 -0.355 0.000 0.982 342 G CA -0.031 44.954 45.100 -0.193 0.000 0.641 342 G HN 0.664 nan 8.290 nan 0.000 0.527 343 A N 0.528 123.204 122.820 -0.240 0.000 2.386 343 A HA 0.617 4.937 4.320 0.000 0.000 0.248 343 A C 0.136 177.554 177.584 -0.277 0.000 1.082 343 A CA 0.058 51.960 52.037 -0.225 0.000 0.789 343 A CB 0.239 19.179 19.000 -0.099 0.000 1.025 343 A HN 0.499 nan 8.150 nan 0.000 0.490 344 H N -0.047 119.037 119.070 0.023 0.000 2.547 344 H HA 0.723 5.279 4.556 0.000 0.000 0.342 344 H C -0.093 175.272 175.328 0.061 0.000 1.048 344 H CA 0.374 56.457 56.048 0.059 0.000 1.204 344 H CB 1.560 31.383 29.762 0.101 0.000 1.493 344 H HN 1.015 nan 8.280 nan 0.000 0.511 345 A N 2.745 125.669 122.820 0.172 0.000 2.583 345 A HA 0.536 4.856 4.320 0.000 0.000 0.292 345 A C -1.378 176.211 177.584 0.009 0.000 1.045 345 A CA -0.850 51.201 52.037 0.024 0.000 0.672 345 A CB 1.531 20.472 19.000 -0.098 0.000 1.283 345 A HN 0.542 nan 8.150 nan 0.000 0.419 346 E N 0.198 120.371 120.200 -0.044 0.000 2.266 346 E HA 0.677 5.027 4.350 0.000 0.000 0.268 346 E C -1.160 175.382 176.600 -0.097 0.000 0.879 346 E CA -0.282 56.099 56.400 -0.033 0.000 0.762 346 E CB 2.194 31.908 29.700 0.023 0.000 1.199 346 E HN 0.529 nan 8.360 nan 0.000 0.422 347 I N 2.441 122.966 120.570 -0.075 0.000 2.339 347 I HA 0.282 4.452 4.170 0.000 0.000 0.290 347 I C -0.427 175.695 176.117 0.008 0.000 0.994 347 I CA -0.621 60.637 61.300 -0.070 0.000 1.191 347 I CB 1.079 39.065 38.000 -0.024 0.000 1.343 347 I HN 0.244 nan 8.210 nan 0.000 0.458 348 E N 5.348 125.565 120.200 0.029 0.000 2.267 348 E HA 0.325 4.675 4.350 0.000 0.000 0.248 348 E C 0.028 176.678 176.600 0.082 0.000 0.899 348 E CA -0.114 56.313 56.400 0.045 0.000 0.764 348 E CB 1.707 31.422 29.700 0.025 0.000 1.227 348 E HN 0.734 nan 8.360 nan 0.000 0.421 349 S N 3.844 119.596 115.700 0.086 0.000 4.114 349 S HA -0.289 4.181 4.470 0.000 0.000 0.618 349 S C 0.681 175.370 174.600 0.147 0.000 1.937 349 S CA 1.782 60.034 58.200 0.086 0.000 4.228 349 S CB -1.056 62.177 63.200 0.056 0.000 0.216 349 S HN 0.741 nan 8.310 nan 0.000 0.528 350 N N 2.265 121.041 118.700 0.127 0.000 2.327 350 N HA 0.228 4.968 4.740 0.000 0.000 0.231 350 N C -0.092 175.622 175.510 0.340 0.000 1.130 350 N CA 0.866 54.005 53.050 0.148 0.000 0.845 350 N CB 0.155 38.651 38.487 0.015 0.000 1.073 350 N HN 0.885 nan 8.380 nan 0.000 0.496 351 T N -1.960 112.820 114.554 0.376 0.000 2.916 351 T HA 0.517 4.867 4.350 0.000 0.000 0.305 351 T C -0.951 173.744 174.700 -0.007 0.000 1.119 351 T CA -0.671 61.582 62.100 0.254 0.000 1.008 351 T CB 1.702 70.629 68.868 0.098 0.000 1.129 351 T HN -0.029 nan 8.240 nan 0.000 0.480 352 V N 3.208 122.961 119.914 -0.269 0.000 2.398 352 V HA 0.587 4.707 4.120 0.000 0.000 0.286 352 V C -0.091 175.850 176.094 -0.256 0.000 1.026 352 V CA -1.148 60.896 62.300 -0.427 0.000 0.868 352 V CB 1.067 32.466 31.823 -0.706 0.000 0.982 352 V HN 0.809 nan 8.190 nan 0.000 0.443 353 I N 3.425 123.859 120.570 -0.227 0.000 2.301 353 I HA 0.326 4.496 4.170 0.000 0.000 0.292 353 I C 0.164 176.025 176.117 -0.426 0.000 1.046 353 I CA 0.004 61.146 61.300 -0.264 0.000 1.282 353 I CB 0.676 38.562 38.000 -0.190 0.000 1.409 353 I HN 0.650 nan 8.210 nan 0.000 0.484 354 C N 6.355 125.408 119.300 -0.412 0.000 2.341 354 C HA 0.433 4.893 4.460 0.000 0.000 0.338 354 C C 0.369 175.075 174.990 -0.473 0.000 1.257 354 C CA -0.534 58.262 59.018 -0.368 0.000 1.883 354 C CB 0.366 28.003 27.740 -0.172 0.000 2.334 354 C HN 0.608 nan 8.230 nan 0.000 0.524 355 H N 1.526 120.610 119.070 0.023 0.000 2.736 355 H HA 0.282 4.838 4.556 0.000 0.000 0.271 355 H C 0.610 175.977 175.328 0.065 0.000 1.184 355 H CA -0.059 56.012 56.048 0.038 0.000 1.378 355 H CB 0.810 30.595 29.762 0.038 0.000 1.428 355 H HN 0.944 nan 8.280 nan 0.000 0.500 356 G N 1.788 110.653 108.800 0.109 0.000 2.391 356 G HA2 0.255 4.215 3.960 0.000 0.000 0.234 356 G HA3 0.255 4.215 3.960 0.000 0.000 0.234 356 G C 0.467 175.426 174.900 0.098 0.000 1.284 356 G CA -0.021 45.124 45.100 0.076 0.000 0.873 356 G HN 0.429 nan 8.290 nan 0.000 0.549 357 V N 0.052 120.004 119.914 0.065 0.000 2.960 357 V HA 0.647 4.768 4.120 0.000 0.000 0.315 357 V C 1.082 177.192 176.094 0.027 0.000 1.087 357 V CA -0.530 61.807 62.300 0.061 0.000 0.982 357 V CB 1.958 33.803 31.823 0.036 0.000 1.039 357 V HN 0.717 nan 8.190 nan 0.000 0.437 358 E N 1.607 121.822 120.200 0.027 0.000 2.031 358 E HA -0.036 4.314 4.350 0.000 0.000 0.193 358 E C 0.502 177.103 176.600 0.003 0.000 0.994 358 E CA 1.766 58.175 56.400 0.015 0.000 0.800 358 E CB 0.159 29.869 29.700 0.017 0.000 0.752 358 E HN 0.670 nan 8.360 nan 0.000 0.447 359 K N -0.413 119.985 120.400 -0.004 0.000 2.477 359 K HA 0.397 4.717 4.320 0.000 0.000 0.255 359 K C -0.809 175.774 176.600 -0.027 0.000 0.952 359 K CA -0.715 55.564 56.287 -0.013 0.000 0.826 359 K CB 1.739 34.234 32.500 -0.009 0.000 1.331 359 K HN 0.075 nan 8.250 nan 0.000 0.437 360 L N 0.768 121.973 121.223 -0.030 0.000 2.352 360 L HA 0.464 4.804 4.340 0.000 0.000 0.269 360 L C 0.087 176.938 176.870 -0.032 0.000 1.034 360 L CA -0.718 54.097 54.840 -0.041 0.000 0.806 360 L CB 1.751 43.787 42.059 -0.039 0.000 1.244 360 L HN 0.451 nan 8.230 nan 0.000 0.447 361 S N 0.150 115.829 115.700 -0.035 0.000 2.451 361 S HA 0.474 4.944 4.470 0.000 0.000 0.301 361 S C 0.218 174.807 174.600 -0.019 0.000 1.116 361 S CA -0.698 57.487 58.200 -0.024 0.000 1.093 361 S CB 1.656 64.842 63.200 -0.023 0.000 1.017 361 S HN 0.772 nan 8.310 nan 0.000 0.482 362 G N 1.534 110.326 108.800 -0.013 0.000 2.484 362 G HA2 0.507 4.467 3.960 0.000 0.000 0.235 362 G HA3 0.507 4.467 3.960 0.000 0.000 0.235 362 G C -0.174 174.722 174.900 -0.006 0.000 1.282 362 G CA 0.189 45.284 45.100 -0.008 0.000 0.857 362 G HN 1.033 nan 8.290 nan 0.000 0.571 363 A N 1.541 124.359 122.820 -0.002 0.000 2.511 363 A HA 0.653 4.973 4.320 0.000 0.000 0.293 363 A C -0.733 176.854 177.584 0.005 0.000 1.098 363 A CA -0.774 51.263 52.037 -0.000 0.000 0.643 363 A CB 0.736 19.732 19.000 -0.006 0.000 1.302 363 A HN 0.645 nan 8.150 nan 0.000 0.446 364 Q N 0.570 120.374 119.800 0.006 0.000 2.314 364 Q HA 0.498 4.838 4.340 0.000 0.000 0.257 364 Q C -0.177 175.827 176.000 0.007 0.000 0.975 364 Q CA -0.502 55.307 55.803 0.010 0.000 0.933 364 Q CB 1.354 30.099 28.738 0.012 0.000 1.195 364 Q HN 0.913 nan 8.270 nan 0.000 0.426 365 V N -0.083 119.835 119.914 0.007 0.000 3.046 365 V HA 0.702 4.822 4.120 0.000 0.000 0.316 365 V C -0.658 175.436 176.094 -0.000 0.000 1.104 365 V CA -1.278 61.023 62.300 0.002 0.000 1.006 365 V CB 2.197 34.020 31.823 0.000 0.000 1.058 365 V HN 0.825 nan 8.190 nan 0.000 0.440 366 M N 2.827 122.424 119.600 -0.005 0.000 2.253 366 M HA 0.795 5.275 4.480 0.000 0.000 0.314 366 M C -0.087 176.193 176.300 -0.032 0.000 1.019 366 M CA -0.624 54.670 55.300 -0.010 0.000 0.932 366 M CB 1.496 34.099 32.600 0.004 0.000 1.606 366 M HN 1.197 nan 8.290 nan 0.000 0.430 367 A N 2.863 125.648 122.820 -0.058 0.000 2.440 367 A HA 0.429 4.749 4.320 0.000 0.000 0.251 367 A C 0.837 178.310 177.584 -0.184 0.000 1.089 367 A CA 0.186 52.151 52.037 -0.119 0.000 0.779 367 A CB -0.039 18.882 19.000 -0.131 0.000 1.022 367 A HN 0.961 nan 8.150 nan 0.000 0.492 368 T N -1.476 112.895 114.554 -0.305 0.000 2.959 368 T HA 0.359 4.709 4.350 0.000 0.000 0.254 368 T C 0.024 174.291 174.700 -0.722 0.000 1.003 368 T CA 0.658 62.544 62.100 -0.356 0.000 0.950 368 T CB -0.395 68.388 68.868 -0.142 0.000 1.090 368 T HN 0.866 nan 8.240 nan 0.000 0.503 369 D N -0.832 119.101 120.400 -0.777 0.000 2.692 369 D HA 0.383 5.023 4.640 0.000 0.000 0.290 369 D C 0.679 176.758 176.300 -0.370 0.000 1.281 369 D CA -0.932 52.694 54.000 -0.624 0.000 0.804 369 D CB 0.672 41.300 40.800 -0.287 0.000 1.331 369 D HN -0.107 nan 8.370 nan 0.000 0.432 370 L N 0.539 121.675 121.223 -0.145 0.000 1.963 370 L HA -0.128 4.212 4.340 0.000 0.000 0.220 370 L C 1.987 178.867 176.870 0.016 0.000 1.076 370 L CA 1.944 56.782 54.840 -0.003 0.000 0.772 370 L CB -0.688 41.394 42.059 0.038 0.000 0.892 370 L HN 0.494 nan 8.230 nan 0.000 0.435 371 R N -0.026 120.470 120.500 -0.008 0.000 2.115 371 R HA 0.037 4.377 4.340 0.000 0.000 0.230 371 R C 2.179 178.419 176.300 -0.100 0.000 1.111 371 R CA 1.209 57.309 56.100 0.001 0.000 0.976 371 R CB -1.516 28.779 30.300 -0.010 0.000 0.870 371 R HN 0.584 nan 8.270 nan 0.000 0.445 372 A N 1.433 124.168 122.820 -0.141 0.000 1.898 372 A HA -0.181 4.139 4.320 0.000 0.000 0.216 372 A C 2.384 179.895 177.584 -0.121 0.000 1.181 372 A CA 1.968 53.917 52.037 -0.147 0.000 0.620 372 A CB -0.600 18.354 19.000 -0.077 0.000 0.819 372 A HN 0.455 nan 8.150 nan 0.000 0.442 373 S N 0.434 116.048 115.700 -0.143 0.000 2.370 373 S HA -0.055 4.415 4.470 0.000 0.000 0.226 373 S C 2.118 176.627 174.600 -0.151 0.000 1.033 373 S CA 1.555 59.670 58.200 -0.141 0.000 1.011 373 S CB -0.798 62.314 63.200 -0.147 0.000 0.852 373 S HN 0.962 nan 8.310 nan 0.000 0.457 374 A N 1.552 124.251 122.820 -0.201 0.000 1.933 374 A HA 0.021 4.341 4.320 0.000 0.000 0.218 374 A C 2.469 179.928 177.584 -0.209 0.000 1.175 374 A CA 1.831 53.673 52.037 -0.326 0.000 0.628 374 A CB -1.196 17.474 19.000 -0.551 0.000 0.814 374 A HN 0.578 nan 8.150 nan 0.000 0.444 375 S N -0.093 115.518 115.700 -0.149 0.000 2.368 375 S HA -0.063 4.407 4.470 0.000 0.000 0.225 375 S C 1.784 176.344 174.600 -0.067 0.000 1.030 375 S CA 1.359 59.495 58.200 -0.107 0.000 0.999 375 S CB -0.408 62.724 63.200 -0.113 0.000 0.844 375 S HN 0.525 nan 8.310 nan 0.000 0.459 376 L N 0.942 122.132 121.223 -0.055 0.000 2.141 376 L HA -0.047 4.293 4.340 0.000 0.000 0.209 376 L C 2.260 179.119 176.870 -0.018 0.000 1.094 376 L CA 0.711 55.536 54.840 -0.025 0.000 0.763 376 L CB -0.599 41.447 42.059 -0.022 0.000 0.908 376 L HN 0.209 nan 8.230 nan 0.000 0.437 377 V N 0.144 120.042 119.914 -0.026 0.000 2.358 377 V HA -0.252 3.868 4.120 0.000 0.000 0.246 377 V C 2.385 178.465 176.094 -0.023 0.000 1.047 377 V CA 1.430 63.740 62.300 0.015 0.000 1.035 377 V CB -0.243 31.613 31.823 0.056 0.000 0.658 377 V HN 0.340 nan 8.190 nan 0.000 0.452 378 L N 0.032 121.217 121.223 -0.064 0.000 2.083 378 L HA -0.150 4.190 4.340 0.000 0.000 0.209 378 L C 2.736 179.581 176.870 -0.042 0.000 1.083 378 L CA 1.462 56.264 54.840 -0.064 0.000 0.752 378 L CB -0.829 41.174 42.059 -0.093 0.000 0.899 378 L HN 0.372 nan 8.230 nan 0.000 0.433 379 A N 0.527 123.326 122.820 -0.035 0.000 1.902 379 A HA -0.150 4.170 4.320 0.000 0.000 0.217 379 A C 2.415 179.988 177.584 -0.019 0.000 1.181 379 A CA 1.796 53.818 52.037 -0.025 0.000 0.623 379 A CB -1.267 17.722 19.000 -0.018 0.000 0.818 379 A HN 0.439 nan 8.150 nan 0.000 0.443 380 G N -1.048 107.745 108.800 -0.011 0.000 2.432 380 G HA2 -0.259 3.701 3.960 0.000 0.000 0.219 380 G HA3 -0.259 3.701 3.960 0.000 0.000 0.219 380 G C 1.532 176.425 174.900 -0.013 0.000 1.135 380 G CA 1.290 46.387 45.100 -0.005 0.000 0.767 380 G HN 0.531 nan 8.290 nan 0.000 0.550 381 C N 0.665 119.954 119.300 -0.018 0.000 2.425 381 C HA 0.032 4.492 4.460 0.000 0.000 0.277 381 C C 2.614 177.593 174.990 -0.017 0.000 1.280 381 C CA 0.904 59.911 59.018 -0.020 0.000 1.744 381 C CB -0.861 26.867 27.740 -0.020 0.000 1.989 381 C HN 0.665 nan 8.230 nan 0.000 0.491 382 I N -1.183 119.376 120.570 -0.019 0.000 3.956 382 I HA 0.387 4.557 4.170 0.000 0.000 0.333 382 I C 1.015 177.122 176.117 -0.016 0.000 1.302 382 I CA -0.129 61.161 61.300 -0.017 0.000 1.122 382 I CB -0.383 37.605 38.000 -0.020 0.000 1.013 382 I HN 0.066 nan 8.210 nan 0.000 0.405 383 A N 1.573 124.383 122.820 -0.017 0.000 2.313 383 A HA 0.308 4.628 4.320 0.000 0.000 0.261 383 A C -0.125 177.451 177.584 -0.013 0.000 1.090 383 A CA -0.178 51.849 52.037 -0.017 0.000 0.807 383 A CB 0.251 19.241 19.000 -0.017 0.000 1.055 383 A HN 0.405 nan 8.150 nan 0.000 0.492 384 E N -0.050 120.142 120.200 -0.013 0.000 2.052 384 E HA 0.478 4.828 4.350 0.000 0.000 0.283 384 E C 0.652 177.247 176.600 -0.008 0.000 1.071 384 E CA 1.461 57.855 56.400 -0.010 0.000 0.851 384 E CB -0.002 29.692 29.700 -0.009 0.000 1.066 384 E HN 1.366 nan 8.360 nan 0.000 0.396 385 G N 2.684 111.480 108.800 -0.007 0.000 2.384 385 G HA2 -0.161 3.800 3.960 0.000 0.000 0.200 385 G HA3 -0.161 3.800 3.960 0.000 0.000 0.200 385 G C -0.587 174.310 174.900 -0.005 0.000 1.205 385 G CA -0.437 44.660 45.100 -0.005 0.000 1.116 385 G HN 0.466 nan 8.290 nan 0.000 0.547 386 T N 1.431 115.984 114.554 -0.002 0.000 2.771 386 T HA 0.678 5.029 4.350 0.000 0.000 0.281 386 T C -0.182 174.521 174.700 0.005 0.000 0.982 386 T CA 0.260 62.360 62.100 0.001 0.000 0.978 386 T CB 1.483 70.353 68.868 0.004 0.000 0.930 386 T HN 0.710 nan 8.240 nan 0.000 0.447 387 T N 2.706 117.265 114.554 0.009 0.000 2.829 387 T HA 0.569 4.919 4.350 0.000 0.000 0.280 387 T C -0.526 174.193 174.700 0.031 0.000 0.999 387 T CA -0.540 61.569 62.100 0.015 0.000 0.983 387 T CB 1.336 70.211 68.868 0.012 0.000 0.968 387 T HN 0.319 nan 8.240 nan 0.000 0.446 388 V N 3.633 123.566 119.914 0.033 0.000 2.376 388 V HA 0.355 4.476 4.120 0.000 0.000 0.287 388 V C -0.272 175.848 176.094 0.044 0.000 1.015 388 V CA -0.799 61.530 62.300 0.048 0.000 0.834 388 V CB 1.655 33.501 31.823 0.038 0.000 1.001 388 V HN 0.727 nan 8.190 nan 0.000 0.428 389 V N 3.947 123.900 119.914 0.064 0.000 2.334 389 V HA 0.277 4.397 4.120 0.000 0.000 0.267 389 V C 0.117 176.208 176.094 -0.006 0.000 1.040 389 V CA -0.352 61.963 62.300 0.025 0.000 0.866 389 V CB 1.266 33.107 31.823 0.030 0.000 1.019 389 V HN 0.902 nan 8.190 nan 0.000 0.468 390 D N 4.208 124.602 120.400 -0.010 0.000 2.339 390 D HA 0.299 4.939 4.640 0.000 0.000 0.245 390 D C 0.841 177.112 176.300 -0.048 0.000 1.115 390 D CA -0.116 53.877 54.000 -0.012 0.000 0.917 390 D CB 0.482 41.290 40.800 0.012 0.000 1.192 390 D HN 0.486 nan 8.370 nan 0.000 0.428 391 R N 1.985 122.463 120.500 -0.038 0.000 3.423 391 R HA -0.174 4.166 4.340 0.000 0.000 0.271 391 R C 0.833 176.938 176.300 -0.324 0.000 1.093 391 R CA 0.596 56.638 56.100 -0.097 0.000 0.730 391 R CB -2.376 27.874 30.300 -0.082 0.000 1.190 391 R HN 0.513 nan 8.270 nan 0.000 0.437 392 I N -2.050 118.345 120.570 -0.292 0.000 3.241 392 I HA -0.152 4.018 4.170 0.000 0.000 0.280 392 I C 2.061 177.963 176.117 -0.359 0.000 1.320 392 I CA 0.704 61.743 61.300 -0.435 0.000 1.413 392 I CB -1.019 36.457 38.000 -0.874 0.000 1.060 392 I HN 0.335 nan 8.210 nan 0.000 0.500 393 Y N -0.002 120.176 120.300 -0.204 0.000 2.256 393 Y HA -0.238 4.312 4.550 0.000 0.000 0.288 393 Y C 2.374 178.187 175.900 -0.145 0.000 1.155 393 Y CA 1.444 59.434 58.100 -0.184 0.000 1.203 393 Y CB -1.692 36.645 38.460 -0.205 0.000 0.980 393 Y HN 0.222 nan 8.280 nan 0.000 0.530 394 H N 0.513 119.232 119.070 -0.584 0.000 2.353 394 H HA -0.188 4.368 4.556 0.000 0.000 0.298 394 H C 2.368 177.632 175.328 -0.106 0.000 1.103 394 H CA 2.037 57.891 56.048 -0.324 0.000 1.293 394 H CB -0.348 29.158 29.762 -0.426 0.000 1.372 394 H HN 0.504 nan 8.280 nan 0.000 0.501 395 I N 1.057 121.619 120.570 -0.014 0.000 2.493 395 I HA -0.203 3.967 4.170 0.000 0.000 0.254 395 I C 1.243 177.441 176.117 0.136 0.000 1.160 395 I CA 1.029 62.356 61.300 0.046 0.000 1.445 395 I CB 0.012 37.947 38.000 -0.109 0.000 1.086 395 I HN 0.082 nan 8.210 nan 0.000 0.433 396 D N 0.314 120.760 120.400 0.076 0.000 2.348 396 D HA -0.132 4.508 4.640 0.000 0.000 0.216 396 D C 2.057 178.423 176.300 0.110 0.000 0.970 396 D CA 0.547 54.610 54.000 0.105 0.000 0.889 396 D CB -0.118 40.729 40.800 0.079 0.000 0.912 396 D HN 0.354 nan 8.370 nan 0.000 0.524 397 R N -0.166 120.402 120.500 0.114 0.000 2.093 397 R HA 0.008 4.348 4.340 0.000 0.000 0.224 397 R C 1.737 178.075 176.300 0.063 0.000 1.101 397 R CA 1.124 57.278 56.100 0.091 0.000 0.979 397 R CB 0.186 30.547 30.300 0.100 0.000 0.877 397 R HN 0.129 nan 8.270 nan 0.000 0.441 398 G N -1.890 106.952 108.800 0.070 0.000 3.342 398 G HA2 0.097 4.057 3.960 0.000 0.000 0.252 398 G HA3 0.097 4.057 3.960 0.000 0.000 0.252 398 G C -0.666 174.087 174.900 -0.245 0.000 1.011 398 G CA -0.218 44.835 45.100 -0.079 0.000 0.869 398 G HN 0.060 nan 8.290 nan 0.000 0.514 399 Y N 0.727 121.055 120.300 0.046 0.000 2.326 399 Y HA 0.420 4.970 4.550 0.000 0.000 0.329 399 Y C -0.044 175.912 175.900 0.092 0.000 0.973 399 Y CA -1.282 56.859 58.100 0.070 0.000 1.162 399 Y CB 1.752 40.248 38.460 0.061 0.000 1.147 399 Y HN 0.065 nan 8.280 nan 0.000 0.456 400 E N 4.406 124.728 120.200 0.204 0.000 2.180 400 E HA 0.237 4.587 4.350 0.000 0.000 0.283 400 E C -0.185 176.530 176.600 0.193 0.000 1.061 400 E CA -0.366 56.130 56.400 0.161 0.000 0.861 400 E CB 0.319 30.082 29.700 0.105 0.000 1.056 400 E HN 0.702 nan 8.360 nan 0.000 0.407 401 R N 3.521 124.124 120.500 0.171 0.000 3.322 401 R HA -0.236 4.104 4.340 0.000 0.000 0.253 401 R C 1.107 177.524 176.300 0.196 0.000 0.987 401 R CA 0.570 56.766 56.100 0.159 0.000 0.666 401 R CB -2.036 28.329 30.300 0.109 0.000 1.072 401 R HN 0.774 nan 8.270 nan 0.000 0.447 402 I N 0.609 121.333 120.570 0.256 0.000 2.361 402 I HA -0.285 3.885 4.170 0.000 0.000 0.251 402 I C 2.483 178.707 176.117 0.179 0.000 1.133 402 I CA 1.870 63.335 61.300 0.275 0.000 1.413 402 I CB -0.058 38.053 38.000 0.185 0.000 1.073 402 I HN 0.450 nan 8.210 nan 0.000 0.424 403 E N 0.685 120.964 120.200 0.132 0.000 2.058 403 E HA -0.289 4.061 4.350 0.000 0.000 0.194 403 E C 1.590 178.173 176.600 -0.028 0.000 0.997 403 E CA 1.942 58.311 56.400 -0.051 0.000 0.801 403 E CB 0.027 29.691 29.700 -0.061 0.000 0.746 403 E HN 0.512 nan 8.360 nan 0.000 0.450 404 D N 0.250 120.667 120.400 0.028 0.000 2.103 404 D HA -0.103 4.537 4.640 0.000 0.000 0.199 404 D C 1.875 178.184 176.300 0.016 0.000 0.978 404 D CA 0.961 54.970 54.000 0.014 0.000 0.829 404 D CB -0.120 40.696 40.800 0.026 0.000 0.981 404 D HN 0.169 nan 8.370 nan 0.000 0.464 405 K N 0.344 120.775 120.400 0.052 0.000 2.057 405 K HA -0.046 4.274 4.320 0.000 0.000 0.207 405 K C 2.312 178.932 176.600 0.034 0.000 1.049 405 K CA 0.587 56.876 56.287 0.003 0.000 0.931 405 K CB -0.127 32.379 32.500 0.009 0.000 0.714 405 K HN 0.139 nan 8.250 nan 0.000 0.440 406 L N 0.480 121.784 121.223 0.135 0.000 2.056 406 L HA -0.147 4.193 4.340 0.000 0.000 0.207 406 L C 2.754 179.640 176.870 0.026 0.000 1.078 406 L CA 1.031 55.946 54.840 0.124 0.000 0.749 406 L CB -0.322 41.790 42.059 0.088 0.000 0.901 406 L HN 0.189 nan 8.230 nan 0.000 0.433 407 R N 0.469 120.962 120.500 -0.012 0.000 2.083 407 R HA -0.183 4.157 4.340 0.000 0.000 0.237 407 R C 2.185 178.470 176.300 -0.025 0.000 1.137 407 R CA 1.525 57.606 56.100 -0.033 0.000 0.951 407 R CB -0.280 29.992 30.300 -0.046 0.000 0.851 407 R HN 0.329 nan 8.270 nan 0.000 0.434 408 A N 0.325 123.129 122.820 -0.026 0.000 2.225 408 A HA -0.058 4.263 4.320 0.000 0.000 0.215 408 A C 1.710 179.272 177.584 -0.036 0.000 1.164 408 A CA 0.909 52.924 52.037 -0.036 0.000 0.710 408 A CB -0.207 18.764 19.000 -0.049 0.000 0.780 408 A HN 0.375 nan 8.150 nan 0.000 0.473 409 L N -2.031 119.179 121.223 -0.022 0.000 2.693 409 L HA 0.311 4.651 4.340 0.000 0.000 0.235 409 L C 1.466 178.332 176.870 -0.006 0.000 1.127 409 L CA 0.534 55.367 54.840 -0.013 0.000 0.914 409 L CB 0.322 42.390 42.059 0.016 0.000 1.193 409 L HN 0.508 nan 8.230 nan 0.000 0.502 410 G N -0.035 108.757 108.800 -0.012 0.000 2.168 410 G HA2 -0.194 3.766 3.960 0.000 0.000 0.197 410 G HA3 -0.194 3.766 3.960 0.000 0.000 0.197 410 G C 0.336 175.226 174.900 -0.016 0.000 0.997 410 G CA -0.145 44.947 45.100 -0.014 0.000 0.658 410 G HN 0.398 nan 8.290 nan 0.000 0.513 411 A N 0.025 122.835 122.820 -0.018 0.000 2.371 411 A HA 0.612 4.932 4.320 0.000 0.000 0.257 411 A C 0.476 178.033 177.584 -0.046 0.000 1.089 411 A CA 0.130 52.149 52.037 -0.030 0.000 0.794 411 A CB 0.434 19.415 19.000 -0.032 0.000 1.029 411 A HN 0.491 nan 8.150 nan 0.000 0.488 412 N N 1.869 120.539 118.700 -0.049 0.000 2.817 412 N HA 0.353 5.093 4.740 0.000 0.000 0.234 412 N C -1.393 174.069 175.510 -0.079 0.000 1.066 412 N CA -0.042 52.976 53.050 -0.054 0.000 0.926 412 N CB 0.318 38.783 38.487 -0.037 0.000 1.176 412 N HN 0.658 nan 8.380 nan 0.000 0.506 413 I N 0.826 121.324 120.570 -0.120 0.000 2.647 413 I HA 0.416 4.586 4.170 0.000 0.000 0.295 413 I C -1.135 174.854 176.117 -0.212 0.000 1.078 413 I CA -0.660 60.520 61.300 -0.199 0.000 1.048 413 I CB 2.052 39.865 38.000 -0.312 0.000 1.239 413 I HN 0.285 nan 8.210 nan 0.000 0.421 414 E N 7.032 127.113 120.200 -0.198 0.000 2.263 414 E HA 0.303 4.653 4.350 0.000 0.000 0.268 414 E C -1.232 175.330 176.600 -0.063 0.000 0.884 414 E CA -0.902 55.426 56.400 -0.120 0.000 0.766 414 E CB 1.770 31.443 29.700 -0.045 0.000 1.196 414 E HN 0.560 nan 8.360 nan 0.000 0.416 415 R N 4.490 124.987 120.500 -0.006 0.000 2.235 415 R HA 0.201 4.541 4.340 0.000 0.000 0.338 415 R C -0.453 175.934 176.300 0.144 0.000 1.087 415 R CA -0.330 55.898 56.100 0.213 0.000 0.948 415 R CB 0.174 30.663 30.300 0.316 0.000 1.099 415 R HN 0.318 nan 8.270 nan 0.000 0.483 416 V N 2.771 122.767 119.914 0.138 0.000 2.432 416 V HA 0.389 4.509 4.120 0.000 0.000 0.275 416 V C 0.102 176.246 176.094 0.083 0.000 1.043 416 V CA -1.071 61.281 62.300 0.086 0.000 0.925 416 V CB 1.164 33.027 31.823 0.066 0.000 0.985 416 V HN 0.500 nan 8.190 nan 0.000 0.466 417 K N 3.299 123.737 120.400 0.063 0.000 2.233 417 K HA 0.458 4.778 4.320 0.000 0.000 0.239 417 K C 0.862 177.486 176.600 0.041 0.000 1.064 417 K CA 0.637 56.955 56.287 0.051 0.000 0.884 417 K CB -0.004 32.520 32.500 0.040 0.000 1.166 417 K HN 1.776 nan 8.250 nan 0.000 0.512 418 G N 1.095 109.914 108.800 0.032 0.000 3.149 418 G HA2 -0.240 3.720 3.960 0.000 0.000 0.685 418 G HA3 -0.240 3.720 3.960 0.000 0.000 0.685 418 G C -0.303 174.614 174.900 0.029 0.000 1.589 418 G CA 0.403 45.519 45.100 0.025 0.000 1.187 418 G HN 0.636 nan 8.290 nan 0.000 0.604 419 E N 0.000 120.215 120.200 0.024 0.000 2.725 419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 419 E CA 0.000 56.416 56.400 0.026 0.000 0.976 419 E CB 0.000 29.715 29.700 0.026 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440