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_K 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 0.000 176.325 176.300 0.042 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.626 32.600 0.042 0.000 1.302 2 D N 3.743 124.169 120.400 0.043 0.000 2.443 2 D HA 0.366 5.006 4.640 -0.000 0.000 0.234 2 D C -0.323 175.985 176.300 0.012 0.000 1.172 2 D CA 0.903 54.925 54.000 0.037 0.000 0.878 2 D CB 0.721 41.539 40.800 0.030 0.000 1.204 2 D HN 0.530 nan 8.370 nan 0.000 0.453 3 K N 0.507 120.932 120.400 0.042 0.000 2.495 3 K HA 0.486 4.806 4.320 -0.000 0.000 0.268 3 K C -0.902 175.833 176.600 0.226 0.000 1.008 3 K CA -0.783 55.530 56.287 0.043 0.000 0.882 3 K CB 1.948 34.486 32.500 0.064 0.000 1.443 3 K HN 0.293 nan 8.250 nan 0.000 0.447 4 F N 1.196 121.147 119.950 0.002 0.000 2.467 4 F HA 0.409 4.936 4.527 -0.000 0.000 0.336 4 F C 0.132 175.930 175.800 -0.004 0.000 1.123 4 F CA -1.025 56.973 58.000 -0.003 0.000 0.964 4 F CB 1.989 40.980 39.000 -0.015 0.000 1.136 4 F HN 0.231 nan 8.300 nan 0.000 0.447 5 R N 3.884 124.470 120.500 0.144 0.000 2.229 5 R HA 0.583 4.923 4.340 -0.000 0.000 0.332 5 R C -1.733 174.573 176.300 0.009 0.000 0.989 5 R CA -0.373 55.765 56.100 0.064 0.000 0.842 5 R CB 1.279 31.605 30.300 0.042 0.000 1.119 5 R HN 0.466 nan 8.270 nan 0.000 0.456 6 V N 4.615 124.538 119.914 0.015 0.000 2.555 6 V HA 0.341 4.461 4.120 -0.000 0.000 0.302 6 V C -0.470 175.620 176.094 -0.008 0.000 1.038 6 V CA -0.904 61.388 62.300 -0.013 0.000 0.887 6 V CB 1.856 33.677 31.823 -0.002 0.000 0.991 6 V HN 0.710 nan 8.190 nan 0.000 0.434 7 Q N 2.602 122.391 119.800 -0.018 0.000 2.293 7 Q HA 0.720 5.060 4.340 -0.000 0.000 0.261 7 Q C 0.061 176.054 176.000 -0.012 0.000 0.960 7 Q CA -0.237 55.559 55.803 -0.012 0.000 0.882 7 Q CB 2.570 31.299 28.738 -0.015 0.000 1.275 7 Q HN 0.982 nan 8.270 nan 0.000 0.445 8 G N 2.262 111.058 108.800 -0.006 0.000 2.766 8 G HA2 0.688 4.648 3.960 -0.000 0.000 0.288 8 G HA3 0.688 4.648 3.960 -0.000 0.000 0.288 8 G C -2.913 171.985 174.900 -0.002 0.000 1.408 8 G CA -1.133 43.964 45.100 -0.005 0.000 0.852 8 G HN 0.315 nan 8.290 nan 0.000 0.487 9 P HA 0.384 nan 4.420 nan 0.000 0.281 9 P C -0.674 176.624 177.300 -0.003 0.000 1.249 9 P CA -0.089 63.010 63.100 -0.002 0.000 0.810 9 P CB 1.626 33.326 31.700 0.000 0.000 1.008 10 T N -0.849 113.702 114.554 -0.004 0.000 2.991 10 T HA 0.427 4.777 4.350 -0.000 0.000 0.303 10 T C -0.334 174.365 174.700 -0.002 0.000 1.015 10 T CA -1.044 61.053 62.100 -0.004 0.000 1.007 10 T CB 1.289 70.152 68.868 -0.008 0.000 1.034 10 T HN 0.325 nan 8.240 nan 0.000 0.446 11 R N 3.281 123.780 120.500 -0.001 0.000 2.351 11 R HA 0.424 4.764 4.340 -0.000 0.000 0.318 11 R C -0.404 175.898 176.300 0.003 0.000 1.055 11 R CA -0.445 55.656 56.100 0.001 0.000 0.968 11 R CB -0.278 30.023 30.300 0.001 0.000 0.974 11 R HN 0.719 nan 8.270 nan 0.000 0.439 12 L N 6.416 127.645 121.223 0.009 0.000 2.313 12 L HA 0.269 4.609 4.340 -0.000 0.000 0.282 12 L C 0.119 176.999 176.870 0.018 0.000 1.092 12 L CA -0.019 54.833 54.840 0.021 0.000 0.831 12 L CB 0.605 42.690 42.059 0.043 0.000 1.159 12 L HN 0.759 nan 8.230 nan 0.000 0.442 13 Q N 3.188 122.994 119.800 0.008 0.000 2.578 13 Q HA 0.758 5.098 4.340 -0.000 0.000 0.284 13 Q C -0.451 175.540 176.000 -0.016 0.000 0.960 13 Q CA -0.316 55.485 55.803 -0.002 0.000 0.809 13 Q CB 2.754 31.486 28.738 -0.009 0.000 1.462 13 Q HN 0.670 nan 8.270 nan 0.000 0.392 14 G N 1.055 109.840 108.800 -0.025 0.000 2.204 14 G HA2 0.000 3.960 3.960 -0.000 0.000 0.153 14 G HA3 0.000 3.960 3.960 -0.000 0.000 0.153 14 G C -1.475 173.393 174.900 -0.053 0.000 1.295 14 G CA -0.263 44.813 45.100 -0.040 0.000 1.257 14 G HN 0.675 nan 8.290 nan 0.000 0.495 15 E N -1.447 118.708 120.200 -0.074 0.000 2.369 15 E HA 0.651 5.001 4.350 -0.000 0.000 0.270 15 E C -1.518 174.994 176.600 -0.146 0.000 0.909 15 E CA -0.752 55.593 56.400 -0.091 0.000 0.775 15 E CB 3.212 32.863 29.700 -0.081 0.000 1.270 15 E HN 0.925 nan 8.360 nan 0.000 0.445 16 V N 0.965 120.773 119.914 -0.176 0.000 2.932 16 V HA 0.426 4.546 4.120 -0.000 0.000 0.307 16 V C -1.493 174.496 176.094 -0.176 0.000 1.147 16 V CA -0.269 61.861 62.300 -0.284 0.000 0.951 16 V CB 2.475 33.904 31.823 -0.656 0.000 1.031 16 V HN 0.709 nan 8.190 nan 0.000 0.426 17 T N 7.527 121.996 114.554 -0.141 0.000 2.756 17 T HA 0.522 4.872 4.350 -0.000 0.000 0.290 17 T C -0.129 174.551 174.700 -0.035 0.000 0.985 17 T CA -0.268 61.796 62.100 -0.060 0.000 0.955 17 T CB 0.566 69.412 68.868 -0.036 0.000 0.930 17 T HN 0.483 nan 8.240 nan 0.000 0.451 18 I N 3.238 123.813 120.570 0.008 0.000 2.618 18 I HA 0.115 4.285 4.170 -0.000 0.000 0.284 18 I C 1.184 177.325 176.117 0.040 0.000 1.146 18 I CA 0.176 61.509 61.300 0.054 0.000 1.425 18 I CB 0.191 38.235 38.000 0.074 0.000 1.383 18 I HN 0.563 nan 8.210 nan 0.000 0.562 19 S N 4.051 119.784 115.700 0.054 0.000 2.681 19 S HA 0.502 4.972 4.470 -0.000 0.000 0.270 19 S C 0.656 175.262 174.600 0.009 0.000 1.209 19 S CA -0.569 57.649 58.200 0.030 0.000 0.988 19 S CB 1.180 64.405 63.200 0.041 0.000 1.006 19 S HN 0.851 nan 8.310 nan 0.000 0.558 20 G N 0.138 108.933 108.800 -0.008 0.000 2.554 20 G HA2 0.436 4.396 3.960 -0.000 0.000 0.238 20 G HA3 0.436 4.396 3.960 -0.000 0.000 0.238 20 G C -0.063 174.823 174.900 -0.023 0.000 1.259 20 G CA -0.340 44.747 45.100 -0.022 0.000 0.843 20 G HN 0.893 nan 8.290 nan 0.000 0.582 21 A N 1.435 124.240 122.820 -0.025 0.000 2.491 21 A HA 0.253 4.573 4.320 -0.000 0.000 0.261 21 A C 1.643 179.212 177.584 -0.026 0.000 1.101 21 A CA 0.317 52.336 52.037 -0.029 0.000 0.772 21 A CB 0.258 19.243 19.000 -0.025 0.000 1.043 21 A HN 0.925 nan 8.150 nan 0.000 0.501 22 K N 2.597 122.977 120.400 -0.034 0.000 2.032 22 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 22 K C 0.504 177.126 176.600 0.036 0.000 1.048 22 K CA 1.972 58.252 56.287 -0.011 0.000 0.927 22 K CB -0.131 32.347 32.500 -0.037 0.000 0.712 22 K HN 0.716 nan 8.250 nan 0.000 0.441 23 N N 0.099 118.823 118.700 0.039 0.000 2.501 23 N HA 0.011 4.751 4.740 -0.000 0.000 0.195 23 N C 0.545 176.085 175.510 0.050 0.000 1.213 23 N CA 0.738 53.847 53.050 0.099 0.000 0.864 23 N CB 0.830 39.378 38.487 0.102 0.000 0.999 23 N HN 0.374 nan 8.380 nan 0.000 0.454 24 A N -0.158 122.662 122.820 -0.000 0.000 1.997 24 A HA 0.460 4.780 4.320 -0.000 0.000 0.198 24 A C 2.105 179.640 177.584 -0.082 0.000 1.449 24 A CA 0.645 52.653 52.037 -0.048 0.000 0.908 24 A CB -0.343 18.641 19.000 -0.028 0.000 0.984 24 A HN 0.179 nan 8.150 nan 0.000 0.487 25 A N 0.439 123.227 122.820 -0.053 0.000 1.902 25 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 25 A C 2.110 179.657 177.584 -0.062 0.000 1.181 25 A CA 1.524 53.511 52.037 -0.083 0.000 0.623 25 A CB -0.705 18.260 19.000 -0.057 0.000 0.818 25 A HN 0.436 nan 8.150 nan 0.000 0.443 26 L N -0.022 121.233 121.223 0.052 0.000 1.976 26 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 26 L C -0.187 176.811 176.870 0.213 0.000 1.071 26 L CA 1.871 56.843 54.840 0.221 0.000 0.746 26 L CB -1.449 40.879 42.059 0.448 0.000 0.890 26 L HN 0.306 nan 8.230 nan 0.000 0.432 27 P HA -0.173 nan 4.420 nan 0.000 0.218 27 P C 1.798 178.941 177.300 -0.262 0.000 1.149 27 P CA 1.627 64.385 63.100 -0.571 0.000 0.817 27 P CB 0.041 31.138 31.700 -1.006 0.000 0.785 28 I N -0.737 119.675 120.570 -0.262 0.000 2.353 28 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 28 I C 2.628 178.526 176.117 -0.365 0.000 1.119 28 I CA 0.959 62.000 61.300 -0.430 0.000 1.417 28 I CB -0.506 37.081 38.000 -0.688 0.000 1.078 28 I HN -0.144 nan 8.210 nan 0.000 0.421 29 L N -0.362 120.717 121.223 -0.241 0.000 2.083 29 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 29 L C 2.413 179.191 176.870 -0.153 0.000 1.083 29 L CA 1.591 56.297 54.840 -0.223 0.000 0.752 29 L CB -0.477 41.423 42.059 -0.265 0.000 0.899 29 L HN 0.147 nan 8.230 nan 0.000 0.433 30 F N -0.491 119.461 119.950 0.003 0.000 2.259 30 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 30 F C 2.554 178.401 175.800 0.077 0.000 1.088 30 F CA 0.866 58.911 58.000 0.077 0.000 1.358 30 F CB -0.433 38.656 39.000 0.149 0.000 1.040 30 F HN -0.007 nan 8.300 nan 0.000 0.505 31 A N 0.100 123.048 122.820 0.214 0.000 2.019 31 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 31 A C 2.326 180.084 177.584 0.290 0.000 1.164 31 A CA 1.429 53.600 52.037 0.224 0.000 0.644 31 A CB -1.122 18.032 19.000 0.257 0.000 0.805 31 A HN 0.295 nan 8.150 nan 0.000 0.449 32 A N -0.318 122.674 122.820 0.287 0.000 2.125 32 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 32 A C 1.942 179.641 177.584 0.191 0.000 1.156 32 A CA 1.179 53.381 52.037 0.275 0.000 0.671 32 A CB -0.571 18.536 19.000 0.178 0.000 0.794 32 A HN 0.499 nan 8.150 nan 0.000 0.459 33 L N -0.815 120.526 121.223 0.197 0.000 2.353 33 L HA -0.137 4.203 4.340 -0.000 0.000 0.220 33 L C 2.045 179.054 176.870 0.231 0.000 1.133 33 L CA 0.631 55.609 54.840 0.231 0.000 0.798 33 L CB -0.299 41.929 42.059 0.282 0.000 0.922 33 L HN 0.428 nan 8.230 nan 0.000 0.445 34 L N -0.664 120.652 121.223 0.156 0.000 2.341 34 L HA 0.107 4.447 4.340 -0.000 0.000 0.214 34 L C 1.386 178.273 176.870 0.028 0.000 1.115 34 L CA -0.336 54.546 54.840 0.069 0.000 0.820 34 L CB -0.328 41.747 42.059 0.026 0.000 0.944 34 L HN 0.110 nan 8.230 nan 0.000 0.452 35 A N 0.434 123.288 122.820 0.057 0.000 2.450 35 A HA 0.097 4.417 4.320 -0.000 0.000 0.255 35 A C 0.989 178.604 177.584 0.053 0.000 1.096 35 A CA -0.146 51.910 52.037 0.031 0.000 0.778 35 A CB 0.228 19.261 19.000 0.056 0.000 1.031 35 A HN 0.312 nan 8.150 nan 0.000 0.494 36 E N 1.483 121.696 120.200 0.023 0.000 2.340 36 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 36 E C -0.048 176.578 176.600 0.045 0.000 0.996 36 E CA 0.475 56.896 56.400 0.035 0.000 0.869 36 E CB 0.376 30.078 29.700 0.005 0.000 0.835 36 E HN 0.841 nan 8.360 nan 0.000 0.493 37 E N 1.055 121.277 120.200 0.037 0.000 2.212 37 E HA 0.266 4.616 4.350 -0.000 0.000 0.270 37 E C -2.590 174.050 176.600 0.067 0.000 0.956 37 E CA -2.454 53.974 56.400 0.045 0.000 0.825 37 E CB 1.461 31.179 29.700 0.031 0.000 1.167 37 E HN -0.165 nan 8.360 nan 0.000 0.400 38 P HA -0.080 nan 4.420 nan 0.000 0.267 38 P C -1.124 176.251 177.300 0.124 0.000 1.195 38 P CA 0.311 63.477 63.100 0.110 0.000 0.773 38 P CB 0.469 32.238 31.700 0.115 0.000 0.837 39 V N 1.980 121.984 119.914 0.151 0.000 2.841 39 V HA 0.364 4.484 4.120 -0.000 0.000 0.310 39 V C -0.292 175.870 176.094 0.114 0.000 1.090 39 V CA -0.489 61.904 62.300 0.155 0.000 0.930 39 V CB 2.184 34.128 31.823 0.203 0.000 1.014 39 V HN 0.489 nan 8.190 nan 0.000 0.425 40 E N 3.814 124.044 120.200 0.050 0.000 2.185 40 E HA 0.548 4.898 4.350 -0.000 0.000 0.261 40 E C -1.565 174.926 176.600 -0.182 0.000 0.879 40 E CA -0.550 55.726 56.400 -0.208 0.000 0.756 40 E CB 1.550 31.125 29.700 -0.208 0.000 1.152 40 E HN 0.638 nan 8.360 nan 0.000 0.416 41 I N 4.630 125.024 120.570 -0.293 0.000 2.328 41 I HA 0.176 4.346 4.170 -0.000 0.000 0.287 41 I C 0.252 176.197 176.117 -0.287 0.000 1.012 41 I CA -0.505 60.663 61.300 -0.220 0.000 1.195 41 I CB 1.357 39.208 38.000 -0.249 0.000 1.350 41 I HN 0.379 nan 8.210 nan 0.000 0.464 42 Q N 4.008 123.682 119.800 -0.211 0.000 2.212 42 Q HA 0.276 4.616 4.340 -0.000 0.000 0.238 42 Q C 0.398 176.307 176.000 -0.151 0.000 0.955 42 Q CA -0.701 54.978 55.803 -0.208 0.000 0.906 42 Q CB 0.682 29.322 28.738 -0.164 0.000 1.215 42 Q HN 0.583 nan 8.270 nan 0.000 0.478 43 N N -0.668 117.957 118.700 -0.126 0.000 2.735 43 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 43 N C -1.634 173.828 175.510 -0.079 0.000 1.083 43 N CA 0.266 53.265 53.050 -0.085 0.000 0.703 43 N CB -0.949 37.492 38.487 -0.077 0.000 1.005 43 N HN 0.335 nan 8.380 nan 0.000 0.550 44 V N 1.749 121.604 119.914 -0.097 0.000 2.432 44 V HA 0.354 4.474 4.120 -0.000 0.000 0.271 44 V C -1.381 174.685 176.094 -0.047 0.000 1.046 44 V CA -1.028 61.223 62.300 -0.082 0.000 0.945 44 V CB 1.056 32.812 31.823 -0.112 0.000 0.992 44 V HN 0.214 nan 8.190 nan 0.000 0.471 45 P HA 0.154 nan 4.420 nan 0.000 0.272 45 P C -0.759 176.543 177.300 0.004 0.000 1.223 45 P CA -0.449 62.648 63.100 -0.005 0.000 0.784 45 P CB 0.865 32.563 31.700 -0.003 0.000 0.923 46 K N 2.708 123.122 120.400 0.023 0.000 2.206 46 K HA 0.388 4.708 4.320 -0.000 0.000 0.268 46 K C -0.176 176.450 176.600 0.042 0.000 1.111 46 K CA -0.198 56.108 56.287 0.030 0.000 0.955 46 K CB -0.090 32.434 32.500 0.039 0.000 1.406 46 K HN 0.425 nan 8.250 nan 0.000 0.427 47 L N 1.151 122.395 121.223 0.034 0.000 2.333 47 L HA 0.360 4.700 4.340 -0.000 0.000 0.263 47 L C 1.387 178.281 176.870 0.040 0.000 1.014 47 L CA -1.076 53.791 54.840 0.044 0.000 0.820 47 L CB 1.305 43.385 42.059 0.034 0.000 1.352 47 L HN 0.283 nan 8.230 nan 0.000 0.421 48 K N 0.694 121.122 120.400 0.048 0.000 2.063 48 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 48 K C 1.075 177.695 176.600 0.034 0.000 1.048 48 K CA 1.715 58.026 56.287 0.039 0.000 0.928 48 K CB 0.081 32.609 32.500 0.046 0.000 0.713 48 K HN 0.616 nan 8.250 nan 0.000 0.442 49 D N 0.622 121.048 120.400 0.044 0.000 2.178 49 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 49 D C 1.865 178.193 176.300 0.047 0.000 0.980 49 D CA 0.580 54.612 54.000 0.054 0.000 0.842 49 D CB 0.035 40.877 40.800 0.070 0.000 0.948 49 D HN 0.159 nan 8.370 nan 0.000 0.472 50 I N 1.400 121.987 120.570 0.028 0.000 2.315 50 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 50 I C 1.693 177.804 176.117 -0.009 0.000 1.117 50 I CA 1.063 62.364 61.300 0.002 0.000 1.404 50 I CB -0.771 37.225 38.000 -0.006 0.000 1.071 50 I HN -0.050 nan 8.210 nan 0.000 0.419 51 D N 0.678 121.081 120.400 0.005 0.000 2.097 51 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 51 D C 2.141 178.439 176.300 -0.003 0.000 0.989 51 D CA 1.620 55.621 54.000 0.002 0.000 0.827 51 D CB -0.295 40.510 40.800 0.008 0.000 0.966 51 D HN 0.245 nan 8.370 nan 0.000 0.456 52 T N 0.480 115.038 114.554 0.008 0.000 2.788 52 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 52 T C 2.019 176.727 174.700 0.014 0.000 1.044 52 T CA 1.602 63.711 62.100 0.015 0.000 1.139 52 T CB -0.424 68.462 68.868 0.029 0.000 0.867 52 T HN 0.150 nan 8.240 nan 0.000 0.454 53 T N 2.120 116.671 114.554 -0.005 0.000 2.708 53 T HA 0.007 4.357 4.350 -0.000 0.000 0.266 53 T C 2.058 176.668 174.700 -0.150 0.000 1.037 53 T CA 1.112 63.147 62.100 -0.109 0.000 1.146 53 T CB -0.343 68.404 68.868 -0.202 0.000 0.865 53 T HN 0.320 nan 8.240 nan 0.000 0.435 54 M N 0.595 120.138 119.600 -0.096 0.000 2.159 54 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 54 M C 2.317 178.591 176.300 -0.044 0.000 1.063 54 M CA 1.587 56.844 55.300 -0.072 0.000 1.110 54 M CB -0.327 32.251 32.600 -0.036 0.000 1.374 54 M HN 0.135 nan 8.290 nan 0.000 0.411 55 K N 0.333 120.718 120.400 -0.026 0.000 2.097 55 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 55 K C 1.971 178.567 176.600 -0.007 0.000 1.050 55 K CA 1.087 57.367 56.287 -0.012 0.000 0.938 55 K CB -0.286 32.211 32.500 -0.005 0.000 0.718 55 K HN 0.351 nan 8.250 nan 0.000 0.442 56 L N 1.270 122.494 121.223 0.001 0.000 2.027 56 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 56 L C 2.149 179.024 176.870 0.008 0.000 1.074 56 L CA 1.107 55.967 54.840 0.032 0.000 0.745 56 L CB -0.143 41.977 42.059 0.103 0.000 0.898 56 L HN 0.176 nan 8.230 nan 0.000 0.433 57 L N -0.659 120.538 121.223 -0.044 0.000 2.012 57 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 57 L C 2.533 179.384 176.870 -0.032 0.000 1.073 57 L CA 1.990 56.800 54.840 -0.049 0.000 0.748 57 L CB -0.981 41.020 42.059 -0.098 0.000 0.891 57 L HN 0.297 nan 8.230 nan 0.000 0.431 58 T N -1.315 113.221 114.554 -0.030 0.000 2.720 58 T HA -0.299 4.051 4.350 -0.000 0.000 0.268 58 T C 1.837 176.516 174.700 -0.034 0.000 1.037 58 T CA 1.546 63.631 62.100 -0.024 0.000 1.144 58 T CB -0.170 68.688 68.868 -0.016 0.000 0.864 58 T HN 0.253 nan 8.240 nan 0.000 0.444 59 Q N 0.405 120.188 119.800 -0.029 0.000 2.170 59 Q HA 0.039 4.379 4.340 -0.000 0.000 0.203 59 Q C 1.859 177.816 176.000 -0.071 0.000 0.976 59 Q CA 1.129 56.911 55.803 -0.035 0.000 0.858 59 Q CB -0.398 28.334 28.738 -0.011 0.000 0.907 59 Q HN 0.499 nan 8.270 nan 0.000 0.433 60 L N -1.412 119.764 121.223 -0.078 0.000 2.610 60 L HA 0.148 4.488 4.340 -0.000 0.000 0.232 60 L C 1.015 177.763 176.870 -0.203 0.000 1.149 60 L CA 0.506 55.253 54.840 -0.154 0.000 0.872 60 L CB -0.101 41.897 42.059 -0.102 0.000 0.992 60 L HN 0.514 nan 8.230 nan 0.000 0.447 61 G N -0.009 108.715 108.800 -0.127 0.000 2.141 61 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.195 61 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.195 61 G C 0.127 174.992 174.900 -0.059 0.000 1.012 61 G CA -0.054 44.980 45.100 -0.109 0.000 0.696 61 G HN 0.221 nan 8.290 nan 0.000 0.508 62 T N 0.594 115.126 114.554 -0.037 0.000 2.928 62 T HA 0.549 4.899 4.350 -0.000 0.000 0.284 62 T C 0.295 174.999 174.700 0.007 0.000 1.008 62 T CA -0.235 61.864 62.100 -0.001 0.000 1.057 62 T CB 1.514 70.386 68.868 0.007 0.000 1.018 62 T HN 0.268 nan 8.240 nan 0.000 0.493 63 K N 2.155 122.572 120.400 0.027 0.000 2.264 63 K HA 0.577 4.897 4.320 -0.000 0.000 0.277 63 K C -1.060 175.571 176.600 0.052 0.000 1.067 63 K CA -0.502 55.804 56.287 0.033 0.000 0.900 63 K CB 1.004 33.526 32.500 0.037 0.000 1.124 63 K HN 0.259 nan 8.250 nan 0.000 0.469 64 V N 2.857 122.798 119.914 0.045 0.000 2.735 64 V HA 0.452 4.572 4.120 -0.000 0.000 0.310 64 V C -0.537 175.606 176.094 0.082 0.000 1.061 64 V CA -0.842 61.496 62.300 0.064 0.000 0.913 64 V CB 1.773 33.611 31.823 0.025 0.000 1.005 64 V HN 0.903 nan 8.190 nan 0.000 0.428 65 E N 4.124 124.412 120.200 0.146 0.000 2.375 65 E HA 0.785 5.135 4.350 -0.000 0.000 0.280 65 E C -1.166 175.618 176.600 0.307 0.000 0.972 65 E CA -1.182 55.319 56.400 0.168 0.000 0.782 65 E CB 2.662 32.432 29.700 0.116 0.000 1.229 65 E HN 0.770 nan 8.360 nan 0.000 0.439 66 R N 0.731 121.387 120.500 0.260 0.000 2.846 66 R HA 0.461 4.801 4.340 -0.000 0.000 0.263 66 R C -0.600 175.876 176.300 0.294 0.000 1.080 66 R CA -0.330 55.954 56.100 0.307 0.000 0.961 66 R CB 0.541 30.912 30.300 0.118 0.000 1.231 66 R HN 0.564 nan 8.270 nan 0.000 0.465 67 D N 0.212 120.777 120.400 0.274 0.000 2.256 67 D HA 0.077 4.717 4.640 -0.000 0.000 0.279 67 D C 1.395 177.760 176.300 0.109 0.000 1.209 67 D CA 0.873 54.996 54.000 0.205 0.000 0.946 67 D CB -1.013 39.920 40.800 0.222 0.000 0.914 67 D HN 0.616 nan 8.370 nan 0.000 0.278 68 G N -1.095 107.748 108.800 0.072 0.000 2.744 68 G HA2 0.186 4.146 3.960 -0.000 0.000 0.211 68 G HA3 0.186 4.146 3.960 -0.000 0.000 0.211 68 G C 0.451 175.281 174.900 -0.117 0.000 1.146 68 G CA 0.181 45.275 45.100 -0.011 0.000 0.787 68 G HN 0.357 nan 8.290 nan 0.000 0.534 69 S N -1.170 114.379 115.700 -0.252 0.000 2.704 69 S HA 0.664 5.134 4.470 -0.000 0.000 0.305 69 S C -0.864 173.379 174.600 -0.596 0.000 1.107 69 S CA -0.493 57.361 58.200 -0.578 0.000 0.993 69 S CB 2.440 64.992 63.200 -1.079 0.000 1.110 69 S HN -0.053 nan 8.310 nan 0.000 0.534 70 V N 1.858 121.427 119.914 -0.576 0.000 2.407 70 V HA 0.355 4.475 4.120 -0.000 0.000 0.291 70 V C -1.052 174.840 176.094 -0.336 0.000 1.018 70 V CA -0.622 61.511 62.300 -0.278 0.000 0.842 70 V CB 1.114 32.842 31.823 -0.158 0.000 0.996 70 V HN 0.778 nan 8.190 nan 0.000 0.426 71 W N 5.479 126.780 121.300 0.001 0.000 2.361 71 W HA 0.575 5.235 4.660 -0.000 0.000 0.309 71 W C -0.717 175.809 176.519 0.011 0.000 1.122 71 W CA -0.573 56.781 57.345 0.013 0.000 1.208 71 W CB 1.622 31.090 29.460 0.014 0.000 1.246 71 W HN 0.301 nan 8.180 nan 0.000 0.490 72 I N 3.152 123.829 120.570 0.178 0.000 2.509 72 I HA 0.155 4.325 4.170 -0.000 0.000 0.293 72 I C -0.551 175.646 176.117 0.133 0.000 1.020 72 I CA -0.581 60.792 61.300 0.123 0.000 1.088 72 I CB 1.927 39.971 38.000 0.074 0.000 1.267 72 I HN 0.281 nan 8.210 nan 0.000 0.430 73 D N 5.022 125.486 120.400 0.107 0.000 2.375 73 D HA 0.497 5.137 4.640 -0.000 0.000 0.259 73 D C -0.040 176.311 176.300 0.086 0.000 1.235 73 D CA -0.279 53.779 54.000 0.096 0.000 0.924 73 D CB 1.488 42.338 40.800 0.084 0.000 1.143 73 D HN 0.594 nan 8.370 nan 0.000 0.529 74 A N 2.449 125.331 122.820 0.102 0.000 2.577 74 A HA 0.223 4.543 4.320 -0.000 0.000 0.280 74 A C 1.790 179.464 177.584 0.149 0.000 1.331 74 A CA -0.173 51.938 52.037 0.122 0.000 0.935 74 A CB -0.017 19.075 19.000 0.153 0.000 1.082 74 A HN 0.411 nan 8.150 nan 0.000 0.525 75 S N 1.304 117.073 115.700 0.114 0.000 2.374 75 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 75 S C 0.748 175.435 174.600 0.145 0.000 1.037 75 S CA 1.096 59.364 58.200 0.114 0.000 1.024 75 S CB -0.182 63.066 63.200 0.079 0.000 0.861 75 S HN 0.781 nan 8.310 nan 0.000 0.456 76 N N 0.554 119.323 118.700 0.115 0.000 2.284 76 N HA 0.444 5.184 4.740 -0.000 0.000 0.300 76 N C -1.482 174.054 175.510 0.043 0.000 1.047 76 N CA -0.277 52.836 53.050 0.105 0.000 0.821 76 N CB 2.233 40.755 38.487 0.059 0.000 1.337 76 N HN -0.102 nan 8.380 nan 0.000 0.482 77 V N 2.503 122.407 119.914 -0.017 0.000 2.376 77 V HA 0.189 4.309 4.120 -0.000 0.000 0.287 77 V C 1.212 177.050 176.094 -0.426 0.000 1.015 77 V CA -0.788 61.348 62.300 -0.274 0.000 0.834 77 V CB 1.454 32.941 31.823 -0.561 0.000 1.001 77 V HN 0.666 nan 8.190 nan 0.000 0.428 78 N N 4.970 123.446 118.700 -0.374 0.000 2.062 78 N HA -0.044 4.696 4.740 -0.000 0.000 0.191 78 N C 0.573 175.705 175.510 -0.630 0.000 1.042 78 N CA 1.341 54.175 53.050 -0.360 0.000 0.845 78 N CB 0.273 38.632 38.487 -0.213 0.000 1.024 78 N HN 0.802 nan 8.380 nan 0.000 0.424 79 N N -1.765 116.512 118.700 -0.705 0.000 2.402 79 N HA 0.264 5.004 4.740 -0.000 0.000 0.294 79 N C -1.070 173.798 175.510 -1.071 0.000 1.203 79 N CA -0.524 52.070 53.050 -0.760 0.000 0.838 79 N CB 0.953 39.250 38.487 -0.316 0.000 1.306 79 N HN -0.060 nan 8.380 nan 0.000 0.510 80 F N -0.261 119.621 119.950 -0.113 0.000 2.815 80 F HA 0.379 4.906 4.527 -0.000 0.000 0.323 80 F C -0.171 175.592 175.800 -0.062 0.000 1.151 80 F CA -0.390 57.550 58.000 -0.100 0.000 1.191 80 F CB 0.694 39.630 39.000 -0.106 0.000 1.069 80 F HN 0.104 nan 8.300 nan 0.000 0.514 81 S N 0.988 116.703 115.700 0.024 0.000 2.500 81 S HA 0.801 5.271 4.470 -0.000 0.000 0.301 81 S C -0.207 174.449 174.600 0.093 0.000 1.092 81 S CA -0.630 57.576 58.200 0.011 0.000 1.030 81 S CB 1.803 64.949 63.200 -0.089 0.000 1.031 81 S HN 0.148 nan 8.310 nan 0.000 0.483 82 A N 4.748 127.680 122.820 0.187 0.000 2.664 82 A HA 0.594 4.914 4.320 -0.000 0.000 0.338 82 A C -2.575 175.190 177.584 0.303 0.000 1.280 82 A CA -1.702 50.458 52.037 0.206 0.000 0.809 82 A CB -0.006 19.098 19.000 0.172 0.000 1.114 82 A HN 0.507 nan 8.150 nan 0.000 0.479 83 P HA -0.112 nan 4.420 nan 0.000 0.269 83 P C 0.591 177.944 177.300 0.088 0.000 1.217 83 P CA 0.086 63.306 63.100 0.199 0.000 0.783 83 P CB 0.633 32.444 31.700 0.184 0.000 0.898 84 Y N 2.565 122.780 120.300 -0.142 0.000 2.062 84 Y HA -0.325 4.225 4.550 -0.000 0.000 0.276 84 Y C 2.077 177.940 175.900 -0.061 0.000 1.189 84 Y CA 2.850 60.877 58.100 -0.122 0.000 1.130 84 Y CB -0.923 37.442 38.460 -0.158 0.000 0.959 84 Y HN 0.445 nan 8.280 nan 0.000 0.499 85 D N -0.408 119.997 120.400 0.007 0.000 2.411 85 D HA -0.201 4.439 4.640 -0.000 0.000 0.226 85 D C 1.848 178.078 176.300 -0.116 0.000 0.988 85 D CA 1.196 55.140 54.000 -0.093 0.000 0.938 85 D CB -0.397 40.418 40.800 0.025 0.000 0.883 85 D HN 0.566 nan 8.370 nan 0.000 0.525 86 L N 0.206 121.375 121.223 -0.091 0.000 2.515 86 L HA 0.004 4.344 4.340 -0.000 0.000 0.202 86 L C 2.403 179.226 176.870 -0.078 0.000 1.056 86 L CA 0.255 55.063 54.840 -0.055 0.000 0.847 86 L CB 0.183 42.248 42.059 0.008 0.000 1.131 86 L HN -0.022 nan 8.230 nan 0.000 0.484 87 V N -0.501 119.361 119.914 -0.087 0.000 2.809 87 V HA -0.197 3.923 4.120 -0.000 0.000 0.256 87 V C 2.183 178.170 176.094 -0.179 0.000 1.080 87 V CA 1.788 64.031 62.300 -0.095 0.000 1.102 87 V CB -0.870 30.915 31.823 -0.063 0.000 0.705 87 V HN 0.615 nan 8.190 nan 0.000 0.475 88 K N 1.623 121.830 120.400 -0.322 0.000 2.442 88 K HA -0.079 4.241 4.320 -0.000 0.000 0.198 88 K C 1.705 178.168 176.600 -0.229 0.000 1.042 88 K CA 1.627 57.677 56.287 -0.396 0.000 0.958 88 K CB -0.629 31.403 32.500 -0.781 0.000 0.766 88 K HN 0.660 nan 8.250 nan 0.000 0.474 89 T N -2.242 112.211 114.554 -0.168 0.000 3.022 89 T HA 0.209 4.559 4.350 -0.000 0.000 0.250 89 T C 0.531 175.194 174.700 -0.061 0.000 1.060 89 T CA -0.442 61.595 62.100 -0.105 0.000 1.013 89 T CB 0.063 68.876 68.868 -0.092 0.000 0.982 89 T HN 0.257 nan 8.240 nan 0.000 0.508 90 M N 2.222 121.783 119.600 -0.064 0.000 2.356 90 M HA 0.322 4.802 4.480 -0.000 0.000 0.215 90 M C 0.578 176.832 176.300 -0.077 0.000 0.978 90 M CA -0.623 54.653 55.300 -0.039 0.000 0.972 90 M CB 1.322 33.934 32.600 0.020 0.000 2.529 90 M HN 0.132 nan 8.290 nan 0.000 0.447 91 R N 2.104 122.531 120.500 -0.123 0.000 2.189 91 R HA 0.020 4.360 4.340 -0.000 0.000 0.223 91 R C 1.129 177.251 176.300 -0.296 0.000 1.092 91 R CA 1.556 57.544 56.100 -0.187 0.000 0.989 91 R CB -0.500 29.688 30.300 -0.186 0.000 0.876 91 R HN 0.669 nan 8.270 nan 0.000 0.457 92 A N 1.926 124.568 122.820 -0.296 0.000 2.186 92 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 92 A C 2.127 179.417 177.584 -0.489 0.000 1.159 92 A CA 1.423 53.158 52.037 -0.504 0.000 0.680 92 A CB -0.523 18.341 19.000 -0.226 0.000 0.787 92 A HN 0.633 nan 8.150 nan 0.000 0.467 93 S N -0.468 115.082 115.700 -0.250 0.000 2.547 93 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 93 S C 1.537 175.918 174.600 -0.364 0.000 0.980 93 S CA 0.887 58.955 58.200 -0.220 0.000 0.941 93 S CB -0.548 62.700 63.200 0.081 0.000 0.763 93 S HN 0.466 nan 8.310 nan 0.000 0.532 94 I N 0.981 121.308 120.570 -0.406 0.000 2.567 94 I HA -0.004 4.166 4.170 -0.000 0.000 0.257 94 I C 1.477 177.443 176.117 -0.252 0.000 1.184 94 I CA 0.601 61.702 61.300 -0.332 0.000 1.451 94 I CB -0.625 37.086 38.000 -0.482 0.000 1.089 94 I HN 0.348 nan 8.210 nan 0.000 0.441 95 W N 0.596 121.585 121.300 -0.518 0.000 2.848 95 W HA 0.074 4.733 4.660 -0.000 0.000 0.241 95 W C 2.293 178.601 176.519 -0.351 0.000 1.289 95 W CA 0.735 57.806 57.345 -0.456 0.000 1.396 95 W CB -1.148 27.955 29.460 -0.594 0.000 1.138 95 W HN 0.317 nan 8.180 nan 0.000 0.677 96 A N -0.489 122.257 122.820 -0.123 0.000 2.021 96 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 96 A C 1.944 179.644 177.584 0.193 0.000 1.163 96 A CA 0.665 52.828 52.037 0.211 0.000 0.676 96 A CB -0.590 18.599 19.000 0.315 0.000 0.818 96 A HN 0.119 nan 8.150 nan 0.000 0.453 97 L N 0.417 121.717 121.223 0.127 0.000 1.990 97 L HA -0.115 4.225 4.340 -0.000 0.000 0.213 97 L C 2.436 179.392 176.870 0.144 0.000 1.072 97 L CA 2.412 57.328 54.840 0.127 0.000 0.755 97 L CB -1.081 41.034 42.059 0.094 0.000 0.889 97 L HN 0.329 nan 8.230 nan 0.000 0.432 98 G N -0.762 108.133 108.800 0.158 0.000 2.545 98 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 98 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 98 G C -0.608 174.372 174.900 0.135 0.000 1.218 98 G CA 1.052 46.237 45.100 0.141 0.000 0.787 98 G HN 0.383 nan 8.290 nan 0.000 0.571 99 P HA -0.039 nan 4.420 nan 0.000 0.215 99 P C 2.151 179.588 177.300 0.228 0.000 1.153 99 P CA 0.721 63.927 63.100 0.177 0.000 0.853 99 P CB -0.132 31.701 31.700 0.223 0.000 0.788 100 L N -1.133 120.260 121.223 0.283 0.000 2.012 100 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 100 L C 2.305 179.334 176.870 0.265 0.000 1.073 100 L CA 1.556 56.622 54.840 0.377 0.000 0.748 100 L CB -1.153 41.094 42.059 0.313 0.000 0.891 100 L HN -0.109 nan 8.230 nan 0.000 0.431 101 V N -0.232 119.768 119.914 0.144 0.000 2.453 101 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 101 V C 2.661 178.774 176.094 0.033 0.000 1.048 101 V CA 1.560 63.899 62.300 0.064 0.000 1.049 101 V CB -0.794 31.056 31.823 0.045 0.000 0.672 101 V HN 0.457 nan 8.190 nan 0.000 0.457 102 A N 0.002 122.846 122.820 0.040 0.000 1.969 102 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 102 A C 2.423 179.967 177.584 -0.065 0.000 1.169 102 A CA 1.885 53.918 52.037 -0.007 0.000 0.635 102 A CB -0.362 18.641 19.000 0.005 0.000 0.810 102 A HN 0.489 nan 8.150 nan 0.000 0.445 103 R N -2.357 118.088 120.500 -0.092 0.000 2.146 103 R HA 0.166 4.506 4.340 -0.000 0.000 0.206 103 R C 0.549 176.518 176.300 -0.551 0.000 1.049 103 R CA 0.687 56.578 56.100 -0.347 0.000 1.029 103 R CB 0.046 30.051 30.300 -0.492 0.000 0.949 103 R HN 0.444 nan 8.270 nan 0.000 0.471 104 F N -0.529 119.382 119.950 -0.065 0.000 2.682 104 F HA 0.403 4.930 4.527 -0.000 0.000 0.308 104 F C 1.295 176.942 175.800 -0.255 0.000 1.093 104 F CA 0.341 58.230 58.000 -0.185 0.000 1.244 104 F CB 1.389 40.183 39.000 -0.344 0.000 1.052 104 F HN 0.256 nan 8.300 nan 0.000 0.573 105 G N 1.070 109.843 108.800 -0.046 0.000 2.189 105 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 105 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 105 G C 0.105 174.952 174.900 -0.089 0.000 0.975 105 G CA 0.654 45.714 45.100 -0.067 0.000 0.644 105 G HN 0.532 nan 8.290 nan 0.000 0.537 106 Q N -1.863 117.862 119.800 -0.126 0.000 2.575 106 Q HA 0.669 5.009 4.340 -0.000 0.000 0.290 106 Q C -0.460 175.496 176.000 -0.073 0.000 0.963 106 Q CA -0.557 55.166 55.803 -0.133 0.000 0.783 106 Q CB 1.733 30.338 28.738 -0.220 0.000 1.467 106 Q HN 1.679 nan 8.270 nan 0.000 0.402 107 G N 0.846 109.643 108.800 -0.004 0.000 2.473 107 G HA2 0.417 4.377 3.960 -0.000 0.000 0.298 107 G HA3 0.417 4.377 3.960 -0.000 0.000 0.298 107 G C -2.056 172.865 174.900 0.036 0.000 1.575 107 G CA -0.642 44.504 45.100 0.077 0.000 0.846 107 G HN 0.471 nan 8.290 nan 0.000 0.585 108 Q N 0.056 119.873 119.800 0.028 0.000 2.271 108 Q HA 0.626 4.966 4.340 -0.000 0.000 0.268 108 Q C -1.206 174.837 176.000 0.072 0.000 1.021 108 Q CA -0.921 54.856 55.803 -0.044 0.000 0.802 108 Q CB 3.361 31.903 28.738 -0.328 0.000 1.282 108 Q HN 0.450 nan 8.270 nan 0.000 0.431 109 V N 1.048 121.069 119.914 0.179 0.000 2.709 109 V HA 0.351 4.471 4.120 -0.000 0.000 0.308 109 V C -0.134 176.147 176.094 0.312 0.000 1.062 109 V CA -0.775 61.662 62.300 0.228 0.000 0.901 109 V CB 2.076 33.960 31.823 0.101 0.000 1.003 109 V HN 0.808 nan 8.190 nan 0.000 0.425 110 S N 4.165 120.019 115.700 0.256 0.000 2.525 110 S HA 0.223 4.693 4.470 -0.000 0.000 0.285 110 S C -0.061 174.575 174.600 0.059 0.000 1.283 110 S CA -0.385 57.865 58.200 0.084 0.000 1.072 110 S CB 0.011 63.215 63.200 0.006 0.000 0.867 110 S HN 0.655 nan 8.310 nan 0.000 0.492 111 L N 8.084 129.336 121.223 0.050 0.000 2.597 111 L HA 0.222 4.562 4.340 -0.000 0.000 0.271 111 L C -1.644 175.234 176.870 0.013 0.000 1.157 111 L CA -1.454 53.400 54.840 0.023 0.000 0.928 111 L CB 0.443 42.518 42.059 0.026 0.000 1.216 111 L HN 0.603 nan 8.230 nan 0.000 0.481 112 P HA 0.083 nan 4.420 nan 0.000 0.268 112 P C 0.000 177.291 177.300 -0.015 0.000 1.205 112 P CA -0.213 62.862 63.100 -0.042 0.000 0.771 112 P CB 0.958 32.598 31.700 -0.099 0.000 0.858 113 G N 1.825 110.627 108.800 0.005 0.000 2.504 113 G HA2 0.472 4.432 3.960 -0.000 0.000 0.257 113 G HA3 0.472 4.432 3.960 -0.000 0.000 0.257 113 G C 0.231 175.129 174.900 -0.004 0.000 1.451 113 G CA -0.419 44.693 45.100 0.019 0.000 1.059 113 G HN 0.623 nan 8.290 nan 0.000 0.550 114 G N -2.096 106.707 108.800 0.004 0.000 2.569 114 G HA2 0.401 4.361 3.960 -0.000 0.000 0.249 114 G HA3 0.401 4.361 3.960 -0.000 0.000 0.249 114 G C -0.330 174.561 174.900 -0.014 0.000 1.216 114 G CA 0.115 45.214 45.100 -0.002 0.000 0.845 114 G HN 0.705 nan 8.290 nan 0.000 0.568 115 C N 0.307 119.594 119.300 -0.023 0.000 2.630 115 C HA 0.715 5.175 4.460 -0.000 0.000 0.346 115 C C 1.965 176.931 174.990 -0.040 0.000 1.245 115 C CA 0.254 59.246 59.018 -0.043 0.000 1.804 115 C CB 1.218 28.910 27.740 -0.081 0.000 2.279 115 C HN 1.027 nan 8.230 nan 0.000 0.498 116 A N 1.632 124.422 122.820 -0.049 0.000 1.877 116 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 116 A C 1.708 179.252 177.584 -0.066 0.000 1.186 116 A CA 2.132 54.141 52.037 -0.047 0.000 0.620 116 A CB -0.725 18.243 19.000 -0.054 0.000 0.822 116 A HN 1.080 nan 8.150 nan 0.000 0.443 117 I N -4.169 116.325 120.570 -0.127 0.000 3.564 117 I HA 0.458 4.628 4.170 -0.000 0.000 0.294 117 I C 0.748 176.836 176.117 -0.048 0.000 1.289 117 I CA 0.458 61.674 61.300 -0.139 0.000 1.325 117 I CB -0.338 37.474 38.000 -0.313 0.000 1.039 117 I HN 0.294 nan 8.210 nan 0.000 0.474 118 G N -0.146 108.645 108.800 -0.014 0.000 2.340 118 G HA2 0.420 4.380 3.960 -0.000 0.000 0.298 118 G HA3 0.420 4.380 3.960 -0.000 0.000 0.298 118 G C 0.059 174.991 174.900 0.054 0.000 1.498 118 G CA -0.281 44.866 45.100 0.079 0.000 0.847 118 G HN 0.029 nan 8.290 nan 0.000 0.594 119 A N 0.018 122.872 122.820 0.056 0.000 1.972 119 A HA 0.210 4.530 4.320 -0.000 0.000 0.219 119 A C 1.576 179.183 177.584 0.039 0.000 1.169 119 A CA 1.766 53.823 52.037 0.034 0.000 0.635 119 A CB -0.552 18.463 19.000 0.026 0.000 0.810 119 A HN 1.430 nan 8.150 nan 0.000 0.446 120 R N -1.130 119.420 120.500 0.084 0.000 3.127 120 R HA -0.124 4.216 4.340 -0.000 0.000 0.247 120 R C -2.301 174.019 176.300 0.034 0.000 0.896 120 R CA 0.415 56.572 56.100 0.094 0.000 0.624 120 R CB -2.024 28.329 30.300 0.087 0.000 1.154 120 R HN 0.550 nan 8.270 nan 0.000 0.474 121 P HA 0.008 nan 4.420 nan 0.000 0.271 121 P C 0.208 177.521 177.300 0.022 0.000 1.244 121 P CA -0.198 62.912 63.100 0.017 0.000 0.793 121 P CB 0.958 32.670 31.700 0.021 0.000 0.984 122 V N 0.800 120.720 119.914 0.011 0.000 3.070 122 V HA -0.009 4.111 4.120 -0.000 0.000 0.345 122 V C 1.631 177.805 176.094 0.134 0.000 1.403 122 V CA 0.151 62.462 62.300 0.019 0.000 1.155 122 V CB -0.550 31.154 31.823 -0.199 0.000 1.140 122 V HN 0.611 nan 8.190 nan 0.000 0.505 123 D N 0.410 120.876 120.400 0.110 0.000 2.133 123 D HA -0.272 4.368 4.640 -0.000 0.000 0.195 123 D C 1.788 178.196 176.300 0.181 0.000 0.997 123 D CA 1.571 55.642 54.000 0.118 0.000 0.840 123 D CB -0.123 40.715 40.800 0.063 0.000 0.947 123 D HN 0.509 nan 8.370 nan 0.000 0.452 124 L N -0.011 121.313 121.223 0.169 0.000 2.131 124 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 124 L C 2.846 179.851 176.870 0.226 0.000 1.092 124 L CA 0.974 55.916 54.840 0.170 0.000 0.759 124 L CB -0.676 41.417 42.059 0.057 0.000 0.903 124 L HN 0.139 nan 8.230 nan 0.000 0.435 125 H N 0.100 119.246 119.070 0.127 0.000 2.293 125 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 125 H C 2.461 177.857 175.328 0.113 0.000 1.082 125 H CA 1.887 58.005 56.048 0.117 0.000 1.308 125 H CB 0.021 29.830 29.762 0.077 0.000 1.375 125 H HN 0.317 nan 8.280 nan 0.000 0.495 126 I N 0.384 121.106 120.570 0.254 0.000 2.179 126 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 126 I C 2.579 178.784 176.117 0.145 0.000 1.088 126 I CA 1.218 62.616 61.300 0.162 0.000 1.357 126 I CB -0.409 37.672 38.000 0.135 0.000 1.051 126 I HN 0.086 nan 8.210 nan 0.000 0.409 127 F N 1.942 121.926 119.950 0.056 0.000 2.120 127 F HA -0.190 4.337 4.527 -0.000 0.000 0.300 127 F C 2.252 178.068 175.800 0.027 0.000 1.095 127 F CA 1.806 59.825 58.000 0.033 0.000 1.249 127 F CB -0.797 38.216 39.000 0.023 0.000 0.995 127 F HN -0.008 nan 8.300 nan 0.000 0.480 128 G N 0.853 109.663 108.800 0.017 0.000 2.421 128 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 128 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 128 G C 1.762 176.587 174.900 -0.123 0.000 1.171 128 G CA 1.035 46.077 45.100 -0.097 0.000 0.775 128 G HN 0.446 nan 8.290 nan 0.000 0.543 129 L N 0.085 121.288 121.223 -0.033 0.000 2.046 129 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 129 L C 2.878 179.705 176.870 -0.071 0.000 1.077 129 L CA 1.231 56.057 54.840 -0.024 0.000 0.747 129 L CB -0.447 41.630 42.059 0.030 0.000 0.896 129 L HN 0.302 nan 8.230 nan 0.000 0.432 130 E N -0.031 120.109 120.200 -0.102 0.000 2.110 130 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 130 E C 2.107 178.601 176.600 -0.176 0.000 0.988 130 E CA 0.859 57.188 56.400 -0.118 0.000 0.804 130 E CB 0.086 29.722 29.700 -0.107 0.000 0.745 130 E HN 0.302 nan 8.360 nan 0.000 0.458 131 K N 0.371 120.590 120.400 -0.301 0.000 2.283 131 K HA -0.068 4.252 4.320 -0.000 0.000 0.202 131 K C 1.840 178.348 176.600 -0.153 0.000 1.048 131 K CA 0.633 56.746 56.287 -0.289 0.000 0.948 131 K CB 0.028 32.258 32.500 -0.450 0.000 0.742 131 K HN 0.241 nan 8.250 nan 0.000 0.458 132 L N -0.410 120.742 121.223 -0.119 0.000 2.591 132 L HA 0.061 4.401 4.340 -0.000 0.000 0.228 132 L C 1.168 178.005 176.870 -0.056 0.000 1.133 132 L CA 0.452 55.250 54.840 -0.070 0.000 0.880 132 L CB 0.028 42.057 42.059 -0.050 0.000 1.033 132 L HN 0.376 nan 8.230 nan 0.000 0.450 133 G N -0.453 108.310 108.800 -0.063 0.000 2.201 133 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.212 133 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.212 133 G C 0.409 175.286 174.900 -0.037 0.000 0.994 133 G CA -0.149 44.923 45.100 -0.046 0.000 0.644 133 G HN 0.415 nan 8.290 nan 0.000 0.508 134 A N 0.264 123.063 122.820 -0.035 0.000 2.407 134 A HA 0.605 4.925 4.320 -0.000 0.000 0.248 134 A C 0.335 177.908 177.584 -0.019 0.000 1.082 134 A CA 0.734 52.758 52.037 -0.022 0.000 0.785 134 A CB 0.464 19.458 19.000 -0.010 0.000 1.020 134 A HN 0.588 nan 8.150 nan 0.000 0.489 135 E N 1.907 122.100 120.200 -0.012 0.000 2.109 135 E HA 0.538 4.888 4.350 -0.000 0.000 0.278 135 E C -1.134 175.469 176.600 0.004 0.000 0.954 135 E CA -0.267 56.129 56.400 -0.006 0.000 0.779 135 E CB 0.532 30.228 29.700 -0.007 0.000 1.093 135 E HN 0.584 nan 8.360 nan 0.000 0.401 136 I N 4.659 125.236 120.570 0.012 0.000 2.530 136 I HA 0.418 4.588 4.170 -0.000 0.000 0.297 136 I C -0.343 175.792 176.117 0.029 0.000 1.011 136 I CA -0.879 60.436 61.300 0.024 0.000 1.107 136 I CB 1.832 39.853 38.000 0.036 0.000 1.285 136 I HN 0.492 nan 8.210 nan 0.000 0.436 137 K N 4.983 125.403 120.400 0.034 0.000 2.532 137 K HA 0.638 4.958 4.320 -0.000 0.000 0.265 137 K C -1.928 174.703 176.600 0.051 0.000 0.948 137 K CA -0.931 55.379 56.287 0.037 0.000 0.842 137 K CB 2.596 35.114 32.500 0.029 0.000 1.392 137 K HN 0.417 nan 8.250 nan 0.000 0.436 138 L N 1.910 123.164 121.223 0.052 0.000 2.294 138 L HA 0.399 4.739 4.340 -0.000 0.000 0.283 138 L C -1.285 175.624 176.870 0.064 0.000 1.015 138 L CA 0.270 55.149 54.840 0.065 0.000 0.831 138 L CB 0.875 42.965 42.059 0.051 0.000 1.217 138 L HN 0.808 nan 8.230 nan 0.000 0.420 139 E N 3.044 123.300 120.200 0.094 0.000 2.263 139 E HA 0.441 4.791 4.350 -0.000 0.000 0.268 139 E C -0.922 175.750 176.600 0.120 0.000 0.884 139 E CA -0.711 55.740 56.400 0.086 0.000 0.766 139 E CB 1.143 30.887 29.700 0.073 0.000 1.196 139 E HN 0.613 nan 8.360 nan 0.000 0.416 140 E N 1.767 122.002 120.200 0.059 0.000 2.389 140 E HA -0.269 4.081 4.350 -0.000 0.000 0.243 140 E C 0.692 177.263 176.600 -0.048 0.000 1.154 140 E CA 0.530 56.942 56.400 0.020 0.000 0.723 140 E CB -1.782 27.963 29.700 0.075 0.000 1.261 140 E HN 1.181 nan 8.360 nan 0.000 0.390 141 G N -1.038 107.741 108.800 -0.037 0.000 2.175 141 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.265 141 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.265 141 G C -0.187 174.687 174.900 -0.044 0.000 0.979 141 G CA 0.852 45.908 45.100 -0.074 0.000 0.663 141 G HN 0.354 nan 8.290 nan 0.000 0.533 142 Y N -1.043 119.270 120.300 0.021 0.000 2.361 142 Y HA 0.552 5.102 4.550 -0.000 0.000 0.332 142 Y C 0.429 176.344 175.900 0.025 0.000 1.101 142 Y CA -1.047 57.071 58.100 0.030 0.000 1.137 142 Y CB 2.132 40.611 38.460 0.032 0.000 1.207 142 Y HN 0.214 nan 8.280 nan 0.000 0.463 143 V N 6.053 126.109 119.914 0.236 0.000 2.288 143 V HA 0.378 4.498 4.120 -0.000 0.000 0.266 143 V C -0.864 175.289 176.094 0.099 0.000 1.048 143 V CA -0.669 61.707 62.300 0.127 0.000 0.842 143 V CB -0.241 31.634 31.823 0.087 0.000 1.064 143 V HN 0.674 nan 8.190 nan 0.000 0.472 144 K N 5.942 126.381 120.400 0.065 0.000 2.234 144 K HA 0.777 5.096 4.320 -0.000 0.000 0.277 144 K C -0.235 176.374 176.600 0.016 0.000 1.038 144 K CA -0.115 56.180 56.287 0.013 0.000 0.888 144 K CB 1.899 34.390 32.500 -0.015 0.000 1.091 144 K HN 0.751 nan 8.250 nan 0.000 0.467 145 A N 1.887 124.714 122.820 0.012 0.000 2.374 145 A HA 0.736 5.056 4.320 -0.000 0.000 0.317 145 A C -0.676 176.904 177.584 -0.006 0.000 1.094 145 A CA -0.624 51.420 52.037 0.012 0.000 0.765 145 A CB 1.313 20.330 19.000 0.029 0.000 1.268 145 A HN 0.716 nan 8.150 nan 0.000 0.438 146 S N -0.331 115.362 115.700 -0.011 0.000 2.596 146 S HA 0.795 5.264 4.470 -0.000 0.000 0.270 146 S C -1.346 173.240 174.600 -0.024 0.000 1.155 146 S CA -0.436 57.749 58.200 -0.026 0.000 0.827 146 S CB 1.323 64.505 63.200 -0.031 0.000 1.130 146 S HN 2.175 nan 8.310 nan 0.000 0.467 147 V N 0.955 120.851 119.914 -0.031 0.000 2.924 147 V HA 0.504 4.624 4.120 -0.000 0.000 0.300 147 V C -1.918 174.156 176.094 -0.034 0.000 1.227 147 V CA -0.765 61.517 62.300 -0.029 0.000 0.954 147 V CB 2.000 33.806 31.823 -0.029 0.000 1.055 147 V HN 1.065 nan 8.190 nan 0.000 0.429 148 N N 5.286 123.969 118.700 -0.029 0.000 2.439 148 N HA 0.628 5.368 4.740 -0.000 0.000 0.243 148 N C 0.363 175.855 175.510 -0.030 0.000 1.088 148 N CA 0.509 53.542 53.050 -0.028 0.000 0.940 148 N CB 1.216 39.690 38.487 -0.022 0.000 1.180 148 N HN 1.380 nan 8.380 nan 0.000 0.505 149 G N 1.530 110.310 108.800 -0.034 0.000 2.508 149 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 149 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 149 G C -0.552 174.323 174.900 -0.042 0.000 1.287 149 G CA -0.810 44.268 45.100 -0.037 0.000 0.916 149 G HN 0.489 nan 8.290 nan 0.000 0.574 150 R N -0.539 119.936 120.500 -0.042 0.000 2.531 150 R HA 0.535 4.875 4.340 -0.000 0.000 0.273 150 R C 0.745 177.022 176.300 -0.038 0.000 1.070 150 R CA -0.546 55.527 56.100 -0.045 0.000 1.112 150 R CB 0.424 30.697 30.300 -0.046 0.000 1.049 150 R HN 0.456 nan 8.270 nan 0.000 0.508 151 L N 1.932 123.132 121.223 -0.038 0.000 2.464 151 L HA 0.194 4.534 4.340 -0.000 0.000 0.264 151 L C 0.367 177.217 176.870 -0.033 0.000 1.199 151 L CA 0.241 55.060 54.840 -0.034 0.000 0.818 151 L CB 0.313 42.354 42.059 -0.030 0.000 1.102 151 L HN 0.352 nan 8.230 nan 0.000 0.473 152 K N 0.428 120.808 120.400 -0.033 0.000 2.221 152 K HA 0.407 4.727 4.320 -0.000 0.000 0.258 152 K C -0.030 176.552 176.600 -0.029 0.000 0.944 152 K CA -0.646 55.623 56.287 -0.030 0.000 0.823 152 K CB 1.745 34.228 32.500 -0.028 0.000 1.113 152 K HN 0.717 nan 8.250 nan 0.000 0.431 153 G N 1.019 109.803 108.800 -0.026 0.000 2.484 153 G HA2 0.394 4.354 3.960 -0.000 0.000 0.235 153 G HA3 0.394 4.354 3.960 -0.000 0.000 0.235 153 G C -0.677 174.213 174.900 -0.015 0.000 1.282 153 G CA -0.124 44.962 45.100 -0.023 0.000 0.857 153 G HN 0.619 nan 8.290 nan 0.000 0.571 154 A N 1.118 123.936 122.820 -0.004 0.000 2.609 154 A HA 0.648 4.968 4.320 -0.000 0.000 0.291 154 A C -0.967 176.665 177.584 0.080 0.000 1.096 154 A CA -0.717 51.333 52.037 0.021 0.000 0.684 154 A CB 1.048 20.041 19.000 -0.011 0.000 1.282 154 A HN 0.940 nan 8.150 nan 0.000 0.412 155 H N 1.029 120.090 119.070 -0.016 0.000 2.690 155 H HA 0.592 5.148 4.556 -0.000 0.000 0.289 155 H C -0.988 174.349 175.328 0.014 0.000 1.089 155 H CA -0.431 55.618 56.048 0.001 0.000 1.299 155 H CB 0.168 29.933 29.762 0.006 0.000 1.405 155 H HN 0.468 nan 8.280 nan 0.000 0.463 156 I N 6.205 126.872 120.570 0.162 0.000 2.362 156 I HA 0.159 4.329 4.170 -0.000 0.000 0.289 156 I C -0.477 175.695 176.117 0.092 0.000 0.994 156 I CA -0.985 60.371 61.300 0.094 0.000 1.158 156 I CB 1.834 39.883 38.000 0.083 0.000 1.315 156 I HN 0.291 nan 8.210 nan 0.000 0.451 157 V N 6.692 126.652 119.914 0.077 0.000 2.333 157 V HA 0.316 4.436 4.120 -0.000 0.000 0.274 157 V C 0.443 176.579 176.094 0.069 0.000 1.028 157 V CA -0.618 61.697 62.300 0.025 0.000 0.851 157 V CB 1.171 32.958 31.823 -0.059 0.000 1.000 157 V HN 0.614 nan 8.190 nan 0.000 0.456 158 M N 4.596 124.226 119.600 0.049 0.000 2.188 158 M HA 0.195 4.675 4.480 -0.000 0.000 0.354 158 M C 0.836 177.092 176.300 -0.074 0.000 1.342 158 M CA -0.107 55.193 55.300 -0.001 0.000 1.117 158 M CB 0.546 33.155 32.600 0.014 0.000 1.670 158 M HN 0.788 nan 8.290 nan 0.000 0.466 159 D N 1.751 122.055 120.400 -0.159 0.000 2.325 159 D HA 0.121 4.761 4.640 -0.000 0.000 0.225 159 D C -0.280 175.956 176.300 -0.107 0.000 1.096 159 D CA 0.221 54.138 54.000 -0.139 0.000 0.844 159 D CB 0.424 41.110 40.800 -0.190 0.000 0.925 159 D HN 0.497 nan 8.370 nan 0.000 0.513 160 K N -0.528 119.818 120.400 -0.090 0.000 2.557 160 K HA 0.328 4.647 4.320 -0.000 0.000 0.261 160 K C -1.495 175.074 176.600 -0.052 0.000 0.932 160 K CA -0.853 55.391 56.287 -0.072 0.000 0.829 160 K CB 3.039 35.491 32.500 -0.079 0.000 1.358 160 K HN -0.225 nan 8.250 nan 0.000 0.430 161 V N 2.144 122.032 119.914 -0.044 0.000 2.427 161 V HA 0.218 4.338 4.120 -0.000 0.000 0.268 161 V C -0.138 175.940 176.094 -0.027 0.000 1.046 161 V CA 0.036 62.319 62.300 -0.027 0.000 0.970 161 V CB 0.969 32.780 31.823 -0.019 0.000 1.001 161 V HN 0.685 nan 8.190 nan 0.000 0.476 162 S N 4.168 119.863 115.700 -0.010 0.000 2.647 162 S HA 0.420 4.890 4.470 -0.000 0.000 0.300 162 S C 0.534 175.159 174.600 0.041 0.000 1.129 162 S CA -0.631 57.574 58.200 0.007 0.000 1.029 162 S CB 1.908 65.106 63.200 -0.004 0.000 1.007 162 S HN 0.314 nan 8.310 nan 0.000 0.484 163 V N 5.406 125.372 119.914 0.087 0.000 2.307 163 V HA 0.006 4.126 4.120 -0.000 0.000 0.245 163 V C 2.683 178.916 176.094 0.231 0.000 1.045 163 V CA 2.509 64.892 62.300 0.138 0.000 1.024 163 V CB -1.274 30.653 31.823 0.173 0.000 0.651 163 V HN 0.953 nan 8.190 nan 0.000 0.449 164 G N -0.317 108.672 108.800 0.316 0.000 2.459 164 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 164 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 164 G C 1.776 176.762 174.900 0.144 0.000 1.183 164 G CA 1.121 46.544 45.100 0.539 0.000 0.776 164 G HN 0.611 nan 8.290 nan 0.000 0.552 165 A N 0.093 122.686 122.820 -0.378 0.000 1.933 165 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 165 A C 2.519 180.002 177.584 -0.169 0.000 1.175 165 A CA 2.438 54.102 52.037 -0.621 0.000 0.628 165 A CB -0.904 17.878 19.000 -0.362 0.000 0.814 165 A HN 0.310 nan 8.150 nan 0.000 0.444 166 T N -0.368 114.158 114.554 -0.046 0.000 2.746 166 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 166 T C 1.879 176.574 174.700 -0.008 0.000 1.039 166 T CA 1.567 63.664 62.100 -0.006 0.000 1.142 166 T CB -0.393 68.482 68.868 0.012 0.000 0.866 166 T HN 0.171 nan 8.240 nan 0.000 0.444 167 V N 1.403 121.323 119.914 0.010 0.000 2.261 167 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 167 V C 2.800 178.866 176.094 -0.048 0.000 1.047 167 V CA 2.038 64.285 62.300 -0.088 0.000 1.015 167 V CB -1.174 30.471 31.823 -0.297 0.000 0.642 167 V HN 0.503 nan 8.190 nan 0.000 0.446 168 T N 0.472 115.086 114.554 0.099 0.000 2.635 168 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 168 T C 1.791 176.533 174.700 0.071 0.000 1.040 168 T CA 2.185 64.385 62.100 0.168 0.000 1.156 168 T CB -0.334 68.713 68.868 0.298 0.000 0.863 168 T HN 0.347 nan 8.240 nan 0.000 0.430 169 I N 0.686 121.276 120.570 0.032 0.000 2.179 169 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 169 I C 2.619 178.739 176.117 0.005 0.000 1.088 169 I CA 1.386 62.697 61.300 0.018 0.000 1.357 169 I CB -0.422 37.587 38.000 0.015 0.000 1.051 169 I HN 0.259 nan 8.210 nan 0.000 0.409 170 M N 0.374 119.971 119.600 -0.006 0.000 2.108 170 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 170 M C 2.412 178.698 176.300 -0.024 0.000 1.066 170 M CA 1.882 57.171 55.300 -0.019 0.000 1.107 170 M CB -0.018 32.564 32.600 -0.029 0.000 1.356 170 M HN 0.131 nan 8.290 nan 0.000 0.406 171 S N 0.731 116.418 115.700 -0.022 0.000 2.345 171 S HA -0.060 4.410 4.470 -0.000 0.000 0.220 171 S C 2.038 176.638 174.600 0.001 0.000 1.031 171 S CA 1.326 59.518 58.200 -0.013 0.000 0.996 171 S CB -0.559 62.639 63.200 -0.005 0.000 0.882 171 S HN 0.697 nan 8.310 nan 0.000 0.445 172 A N 1.536 124.366 122.820 0.017 0.000 1.933 172 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 172 A C 2.305 179.885 177.584 -0.007 0.000 1.175 172 A CA 1.707 53.754 52.037 0.016 0.000 0.628 172 A CB -1.012 18.006 19.000 0.029 0.000 0.814 172 A HN 0.520 nan 8.150 nan 0.000 0.444 173 A N -0.123 122.689 122.820 -0.012 0.000 2.019 173 A HA -0.080 4.239 4.320 -0.000 0.000 0.219 173 A C 2.347 179.912 177.584 -0.032 0.000 1.164 173 A CA 2.291 54.315 52.037 -0.022 0.000 0.644 173 A CB -1.394 17.595 19.000 -0.019 0.000 0.805 173 A HN 0.824 nan 8.150 nan 0.000 0.449 174 T N -1.841 112.691 114.554 -0.037 0.000 2.803 174 T HA -0.061 4.289 4.350 -0.000 0.000 0.269 174 T C 1.314 175.982 174.700 -0.053 0.000 1.052 174 T CA 1.517 63.587 62.100 -0.050 0.000 1.136 174 T CB -0.376 68.454 68.868 -0.064 0.000 0.864 174 T HN 0.329 nan 8.240 nan 0.000 0.467 175 L N 0.602 121.795 121.223 -0.050 0.000 2.769 175 L HA 0.540 4.880 4.340 -0.000 0.000 0.240 175 L C 1.306 178.144 176.870 -0.052 0.000 1.163 175 L CA -0.584 54.221 54.840 -0.058 0.000 0.962 175 L CB -0.307 41.709 42.059 -0.071 0.000 1.258 175 L HN 0.309 nan 8.230 nan 0.000 0.513 176 A N 0.273 123.067 122.820 -0.043 0.000 2.287 176 A HA 0.234 4.554 4.320 -0.000 0.000 0.273 176 A C 0.110 177.671 177.584 -0.039 0.000 1.091 176 A CA -0.247 51.766 52.037 -0.039 0.000 0.817 176 A CB 0.413 19.393 19.000 -0.033 0.000 1.069 176 A HN 0.255 nan 8.150 nan 0.000 0.492 177 E N -0.024 120.155 120.200 -0.036 0.000 2.044 177 E HA 0.464 4.814 4.350 -0.000 0.000 0.282 177 E C 0.484 177.066 176.600 -0.030 0.000 1.031 177 E CA 0.751 57.131 56.400 -0.033 0.000 0.824 177 E CB 0.150 29.831 29.700 -0.031 0.000 1.076 177 E HN 1.321 nan 8.360 nan 0.000 0.395 178 G N 2.688 111.469 108.800 -0.031 0.000 2.447 178 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 178 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 178 G C -0.569 174.312 174.900 -0.032 0.000 1.261 178 G CA -0.599 44.484 45.100 -0.030 0.000 1.000 178 G HN 0.453 nan 8.290 nan 0.000 0.515 179 T N 1.114 115.648 114.554 -0.034 0.000 2.824 179 T HA 0.706 5.056 4.350 -0.000 0.000 0.280 179 T C -0.020 174.658 174.700 -0.036 0.000 0.995 179 T CA 0.221 62.298 62.100 -0.038 0.000 1.009 179 T CB 1.544 70.383 68.868 -0.047 0.000 0.955 179 T HN 0.739 nan 8.240 nan 0.000 0.452 180 T N 3.477 118.013 114.554 -0.031 0.000 2.856 180 T HA 0.664 5.014 4.350 -0.000 0.000 0.283 180 T C -0.403 174.287 174.700 -0.016 0.000 1.008 180 T CA -0.529 61.562 62.100 -0.016 0.000 0.997 180 T CB 0.723 69.586 68.868 -0.009 0.000 0.992 180 T HN 0.412 nan 8.240 nan 0.000 0.454 181 I N 3.228 123.806 120.570 0.012 0.000 2.478 181 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 181 I C -0.719 175.481 176.117 0.138 0.000 1.042 181 I CA -0.741 60.575 61.300 0.026 0.000 1.067 181 I CB 1.774 39.704 38.000 -0.116 0.000 1.233 181 I HN 0.468 nan 8.210 nan 0.000 0.431 182 I N 5.906 126.531 120.570 0.092 0.000 2.307 182 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 182 I C 0.120 176.296 176.117 0.098 0.000 1.021 182 I CA -0.578 60.779 61.300 0.095 0.000 1.224 182 I CB 0.789 38.822 38.000 0.055 0.000 1.376 182 I HN 0.433 nan 8.210 nan 0.000 0.470 183 E N 5.006 125.272 120.200 0.111 0.000 2.301 183 E HA 0.105 4.455 4.350 -0.000 0.000 0.275 183 E C 0.196 176.822 176.600 0.043 0.000 1.030 183 E CA -0.316 56.133 56.400 0.081 0.000 0.852 183 E CB 1.007 30.739 29.700 0.054 0.000 1.060 183 E HN 0.553 nan 8.360 nan 0.000 0.401 184 N N 0.571 119.290 118.700 0.032 0.000 2.758 184 N HA -0.223 4.517 4.740 -0.000 0.000 0.248 184 N C -1.111 174.410 175.510 0.018 0.000 1.076 184 N CA 0.797 53.857 53.050 0.016 0.000 0.696 184 N CB -0.843 37.644 38.487 0.000 0.000 0.979 184 N HN 0.570 nan 8.380 nan 0.000 0.550 185 A N -0.105 122.731 122.820 0.027 0.000 2.366 185 A HA 0.704 5.024 4.320 -0.000 0.000 0.249 185 A C 0.900 178.499 177.584 0.025 0.000 1.084 185 A CA 0.142 52.194 52.037 0.025 0.000 0.794 185 A CB 0.337 19.353 19.000 0.027 0.000 1.034 185 A HN 0.866 nan 8.150 nan 0.000 0.491 186 A N 0.578 123.414 122.820 0.026 0.000 2.425 186 A HA 0.490 4.810 4.320 -0.000 0.000 0.249 186 A C 0.777 178.388 177.584 0.044 0.000 1.084 186 A CA -0.275 51.784 52.037 0.036 0.000 0.781 186 A CB 0.071 19.095 19.000 0.040 0.000 1.019 186 A HN 0.784 nan 8.150 nan 0.000 0.490 187 R N 0.494 121.036 120.500 0.070 0.000 2.362 187 R HA 0.155 4.495 4.340 -0.000 0.000 0.227 187 R C -0.215 176.151 176.300 0.109 0.000 0.905 187 R CA -0.064 56.094 56.100 0.097 0.000 1.067 187 R CB -0.053 30.319 30.300 0.121 0.000 1.078 187 R HN 0.793 nan 8.270 nan 0.000 0.516 188 E N 1.166 121.396 120.200 0.051 0.000 2.641 188 E HA -0.112 4.238 4.350 -0.000 0.000 0.272 188 E C -1.645 174.847 176.600 -0.180 0.000 0.990 188 E CA -0.446 55.871 56.400 -0.138 0.000 0.971 188 E CB 0.309 29.967 29.700 -0.070 0.000 0.967 188 E HN -0.049 nan 8.360 nan 0.000 0.464 189 P HA -0.156 nan 4.420 nan 0.000 0.218 189 P C 0.358 177.602 177.300 -0.093 0.000 1.148 189 P CA 1.182 64.170 63.100 -0.186 0.000 0.822 189 P CB 0.285 31.847 31.700 -0.231 0.000 0.784 190 E N -0.931 119.213 120.200 -0.094 0.000 2.153 190 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 190 E C 1.931 178.496 176.600 -0.059 0.000 0.988 190 E CA 0.823 57.189 56.400 -0.058 0.000 0.811 190 E CB -0.856 28.820 29.700 -0.040 0.000 0.746 190 E HN 0.193 nan 8.360 nan 0.000 0.466 191 I N 0.198 120.737 120.570 -0.052 0.000 2.226 191 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 191 I C 2.120 178.215 176.117 -0.037 0.000 1.100 191 I CA 0.915 62.187 61.300 -0.046 0.000 1.374 191 I CB -0.977 37.011 38.000 -0.019 0.000 1.057 191 I HN 0.021 nan 8.210 nan 0.000 0.413 192 V N 1.000 120.901 119.914 -0.021 0.000 2.343 192 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 192 V C 2.276 178.378 176.094 0.012 0.000 1.051 192 V CA 2.151 64.450 62.300 -0.000 0.000 1.036 192 V CB -0.681 31.149 31.823 0.012 0.000 0.654 192 V HN 0.307 nan 8.190 nan 0.000 0.451 193 D N -0.263 120.148 120.400 0.018 0.000 2.117 193 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 193 D C 2.276 178.542 176.300 -0.057 0.000 0.987 193 D CA 1.747 55.788 54.000 0.067 0.000 0.829 193 D CB -0.128 40.724 40.800 0.086 0.000 0.961 193 D HN 0.397 nan 8.370 nan 0.000 0.460 194 T N -0.302 114.202 114.554 -0.084 0.000 2.777 194 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 194 T C 1.926 176.582 174.700 -0.074 0.000 1.040 194 T CA 1.318 63.355 62.100 -0.106 0.000 1.141 194 T CB -0.422 68.360 68.868 -0.143 0.000 0.868 194 T HN 0.207 nan 8.240 nan 0.000 0.444 195 A N 2.701 125.480 122.820 -0.069 0.000 1.883 195 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 195 A C 2.235 179.767 177.584 -0.086 0.000 1.186 195 A CA 1.596 53.595 52.037 -0.064 0.000 0.624 195 A CB -0.661 18.316 19.000 -0.038 0.000 0.822 195 A HN 0.398 nan 8.150 nan 0.000 0.444 196 N N -1.033 117.624 118.700 -0.072 0.000 2.309 196 N HA -0.121 4.619 4.740 -0.000 0.000 0.182 196 N C 1.365 176.736 175.510 -0.232 0.000 1.018 196 N CA 1.397 54.416 53.050 -0.051 0.000 0.876 196 N CB -0.587 37.980 38.487 0.132 0.000 0.972 196 N HN 0.572 nan 8.380 nan 0.000 0.434 197 F N 1.818 121.343 119.950 -0.709 0.000 2.113 197 F HA -0.010 4.517 4.527 -0.000 0.000 0.297 197 F C 1.998 177.584 175.800 -0.357 0.000 1.103 197 F CA 0.963 58.434 58.000 -0.881 0.000 1.248 197 F CB -0.541 37.933 39.000 -0.876 0.000 0.999 197 F HN -0.105 nan 8.300 nan 0.000 0.475 198 L N -0.365 120.594 121.223 -0.440 0.000 2.042 198 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 198 L C 2.432 179.105 176.870 -0.328 0.000 1.076 198 L CA 1.202 55.786 54.840 -0.426 0.000 0.749 198 L CB -0.974 40.968 42.059 -0.195 0.000 0.893 198 L HN 0.036 nan 8.230 nan 0.000 0.432 199 V N 0.082 119.866 119.914 -0.217 0.000 2.392 199 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 199 V C 2.720 178.729 176.094 -0.141 0.000 1.059 199 V CA 1.776 63.993 62.300 -0.138 0.000 1.051 199 V CB -0.861 30.917 31.823 -0.074 0.000 0.658 199 V HN 0.504 nan 8.190 nan 0.000 0.455 200 A N -0.461 122.254 122.820 -0.175 0.000 1.972 200 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 200 A C 2.071 179.548 177.584 -0.178 0.000 1.169 200 A CA 1.397 53.365 52.037 -0.114 0.000 0.635 200 A CB -0.429 18.560 19.000 -0.018 0.000 0.810 200 A HN 0.540 nan 8.150 nan 0.000 0.446 201 L N -1.680 119.350 121.223 -0.321 0.000 2.599 201 L HA 0.177 4.517 4.340 -0.000 0.000 0.230 201 L C 1.679 178.446 176.870 -0.171 0.000 1.141 201 L CA 0.631 55.304 54.840 -0.277 0.000 0.877 201 L CB -0.081 41.729 42.059 -0.414 0.000 1.009 201 L HN 0.598 nan 8.230 nan 0.000 0.447 202 G N -0.698 108.014 108.800 -0.147 0.000 2.229 202 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.189 202 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.189 202 G C 0.407 175.249 174.900 -0.097 0.000 1.000 202 G CA -0.176 44.864 45.100 -0.100 0.000 0.663 202 G HN 0.408 nan 8.290 nan 0.000 0.493 203 A N 0.201 122.948 122.820 -0.122 0.000 2.406 203 A HA 0.616 4.936 4.320 -0.000 0.000 0.243 203 A C 0.447 177.984 177.584 -0.079 0.000 1.082 203 A CA 0.554 52.530 52.037 -0.102 0.000 0.786 203 A CB 0.289 19.216 19.000 -0.121 0.000 1.029 203 A HN 0.379 nan 8.150 nan 0.000 0.495 204 K N 1.202 121.564 120.400 -0.063 0.000 2.404 204 K HA 0.582 4.902 4.320 -0.000 0.000 0.257 204 K C -1.363 175.210 176.600 -0.046 0.000 1.026 204 K CA 0.281 56.538 56.287 -0.050 0.000 0.951 204 K CB 0.979 33.454 32.500 -0.043 0.000 1.203 204 K HN 0.589 nan 8.250 nan 0.000 0.446 205 I N 1.219 121.763 120.570 -0.043 0.000 2.730 205 I HA 0.360 4.529 4.170 -0.000 0.000 0.298 205 I C -0.391 175.711 176.117 -0.026 0.000 1.089 205 I CA -0.809 60.469 61.300 -0.036 0.000 1.041 205 I CB 2.386 40.360 38.000 -0.042 0.000 1.235 205 I HN 0.563 nan 8.210 nan 0.000 0.423 206 S N 1.825 117.513 115.700 -0.021 0.000 2.550 206 S HA 0.795 5.265 4.470 -0.000 0.000 0.270 206 S C 0.098 174.692 174.600 -0.009 0.000 1.145 206 S CA 0.017 58.208 58.200 -0.014 0.000 0.852 206 S CB 1.978 65.169 63.200 -0.015 0.000 1.119 206 S HN 1.426 nan 8.310 nan 0.000 0.465 207 G N 0.863 109.661 108.800 -0.003 0.000 2.194 207 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.236 207 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.236 207 G C 0.133 175.037 174.900 0.007 0.000 0.987 207 G CA 0.106 45.207 45.100 0.003 0.000 0.635 207 G HN 1.344 nan 8.290 nan 0.000 0.520 208 Q N 0.478 120.280 119.800 0.004 0.000 2.283 208 Q HA 0.375 4.715 4.340 -0.000 0.000 0.301 208 Q C 1.178 177.188 176.000 0.016 0.000 1.063 208 Q CA 1.194 57.001 55.803 0.006 0.000 0.952 208 Q CB 0.859 29.596 28.738 -0.001 0.000 1.166 208 Q HN 1.865 nan 8.270 nan 0.000 0.381 209 G N 2.209 111.024 108.800 0.025 0.000 2.232 209 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 0.254 175.181 174.900 0.044 0.000 0.996 209 G CA 0.294 45.419 45.100 0.042 0.000 0.626 209 G HN 1.150 nan 8.290 nan 0.000 0.509 210 T N -1.532 113.040 114.554 0.030 0.000 2.919 210 T HA 0.556 4.906 4.350 -0.000 0.000 0.282 210 T C 0.708 175.424 174.700 0.026 0.000 1.020 210 T CA 0.616 62.732 62.100 0.026 0.000 0.994 210 T CB 1.739 70.618 68.868 0.018 0.000 1.180 210 T HN 0.231 nan 8.240 nan 0.000 0.566 211 D N -1.018 119.396 120.400 0.023 0.000 2.324 211 D HA 0.087 4.727 4.640 -0.000 0.000 0.235 211 D C 0.546 176.864 176.300 0.031 0.000 1.095 211 D CA -0.231 53.783 54.000 0.025 0.000 0.871 211 D CB -0.186 40.625 40.800 0.019 0.000 0.906 211 D HN 0.619 nan 8.370 nan 0.000 0.522 212 R N 0.580 121.098 120.500 0.029 0.000 2.539 212 R HA 0.450 4.790 4.340 -0.000 0.000 0.295 212 R C -1.674 174.640 176.300 0.022 0.000 1.138 212 R CA -0.527 55.594 56.100 0.035 0.000 0.936 212 R CB 0.474 30.796 30.300 0.036 0.000 1.182 212 R HN 0.006 nan 8.270 nan 0.000 0.459 213 I N 3.627 124.211 120.570 0.023 0.000 2.377 213 I HA 0.355 4.525 4.170 -0.000 0.000 0.293 213 I C -0.320 175.799 176.117 0.002 0.000 0.987 213 I CA -0.845 60.461 61.300 0.010 0.000 1.185 213 I CB 2.375 40.380 38.000 0.007 0.000 1.341 213 I HN 0.596 nan 8.210 nan 0.000 0.455 214 T N 7.072 121.620 114.554 -0.011 0.000 2.779 214 T HA 0.633 4.983 4.350 -0.000 0.000 0.280 214 T C -0.396 174.289 174.700 -0.026 0.000 0.987 214 T CA -0.314 61.772 62.100 -0.023 0.000 0.966 214 T CB 1.051 69.899 68.868 -0.033 0.000 0.933 214 T HN 0.171 nan 8.240 nan 0.000 0.442 215 I N 2.489 123.043 120.570 -0.028 0.000 2.465 215 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 215 I C 0.161 176.257 176.117 -0.035 0.000 1.014 215 I CA -0.584 60.697 61.300 -0.032 0.000 1.093 215 I CB 1.959 39.941 38.000 -0.029 0.000 1.267 215 I HN 0.543 nan 8.210 nan 0.000 0.431 216 E N 4.701 124.878 120.200 -0.038 0.000 2.102 216 E HA 0.514 4.864 4.350 -0.000 0.000 0.263 216 E C 0.119 176.695 176.600 -0.040 0.000 0.894 216 E CA -0.629 55.748 56.400 -0.038 0.000 0.746 216 E CB 1.133 30.811 29.700 -0.036 0.000 1.129 216 E HN 0.850 nan 8.360 nan 0.000 0.416 217 G N 2.321 111.097 108.800 -0.039 0.000 2.562 217 G HA2 0.259 4.219 3.960 -0.000 0.000 0.233 217 G HA3 0.259 4.219 3.960 -0.000 0.000 0.233 217 G C 0.076 174.949 174.900 -0.044 0.000 1.266 217 G CA 0.171 45.245 45.100 -0.043 0.000 0.852 217 G HN 0.444 nan 8.290 nan 0.000 0.581 218 V N -1.262 118.622 119.914 -0.050 0.000 3.141 218 V HA 0.556 4.676 4.120 -0.000 0.000 0.312 218 V C 0.829 176.891 176.094 -0.054 0.000 1.157 218 V CA -0.766 61.504 62.300 -0.050 0.000 1.041 218 V CB 1.881 33.672 31.823 -0.054 0.000 1.071 218 V HN 0.779 nan 8.190 nan 0.000 0.441 219 E N 1.068 121.238 120.200 -0.051 0.000 2.077 219 E HA -0.037 4.313 4.350 -0.000 0.000 0.193 219 E C 0.431 176.991 176.600 -0.066 0.000 0.989 219 E CA 1.762 58.129 56.400 -0.054 0.000 0.800 219 E CB 0.124 29.796 29.700 -0.046 0.000 0.746 219 E HN 0.769 nan 8.360 nan 0.000 0.452 220 R N -0.829 119.632 120.500 -0.064 0.000 2.734 220 R HA 0.542 4.882 4.340 -0.000 0.000 0.271 220 R C -1.359 174.899 176.300 -0.071 0.000 1.021 220 R CA -0.757 55.299 56.100 -0.072 0.000 0.893 220 R CB 0.955 31.216 30.300 -0.065 0.000 1.244 220 R HN -0.152 nan 8.270 nan 0.000 0.464 221 L N 1.039 122.217 121.223 -0.076 0.000 2.334 221 L HA 0.594 4.934 4.340 -0.000 0.000 0.276 221 L C 0.635 177.465 176.870 -0.067 0.000 1.014 221 L CA -0.668 54.120 54.840 -0.086 0.000 0.815 221 L CB 2.037 44.031 42.059 -0.109 0.000 1.268 221 L HN 1.004 nan 8.230 nan 0.000 0.428 222 G N 1.278 110.036 108.800 -0.069 0.000 3.311 222 G HA2 0.606 4.566 3.960 -0.000 0.000 0.169 222 G HA3 0.606 4.566 3.960 -0.000 0.000 0.169 222 G C 0.051 174.931 174.900 -0.034 0.000 1.852 222 G CA 0.419 45.494 45.100 -0.042 0.000 1.010 222 G HN 0.759 nan 8.290 nan 0.000 0.530 223 G N -3.139 105.648 108.800 -0.022 0.000 2.870 223 G HA2 0.710 4.670 3.960 -0.000 0.000 0.299 223 G HA3 0.710 4.670 3.960 -0.000 0.000 0.299 223 G C -0.378 174.528 174.900 0.010 0.000 1.324 223 G CA 0.155 45.259 45.100 0.007 0.000 0.808 223 G HN 1.826 nan 8.290 nan 0.000 0.535 224 G N -2.608 106.229 108.800 0.062 0.000 2.352 224 G HA2 0.508 4.468 3.960 -0.000 0.000 0.283 224 G HA3 0.508 4.468 3.960 -0.000 0.000 0.283 224 G C -2.025 172.953 174.900 0.130 0.000 1.308 224 G CA 0.189 45.337 45.100 0.079 0.000 0.892 224 G HN 1.430 nan 8.290 nan 0.000 0.504 225 V N 0.499 120.495 119.914 0.137 0.000 2.531 225 V HA 0.712 4.832 4.120 -0.000 0.000 0.301 225 V C -1.291 174.922 176.094 0.198 0.000 1.034 225 V CA -0.567 61.812 62.300 0.132 0.000 0.865 225 V CB 1.506 33.372 31.823 0.071 0.000 0.995 225 V HN 0.930 nan 8.190 nan 0.000 0.424 226 Y N 4.251 124.591 120.300 0.067 0.000 2.457 226 Y HA 0.603 5.153 4.550 -0.000 0.000 0.343 226 Y C -0.195 175.689 175.900 -0.027 0.000 0.994 226 Y CA -0.827 57.318 58.100 0.074 0.000 1.031 226 Y CB 1.718 40.334 38.460 0.259 0.000 1.246 226 Y HN 0.609 nan 8.280 nan 0.000 0.449 227 R N 5.465 125.635 120.500 -0.550 0.000 2.229 227 R HA 0.563 4.903 4.340 -0.000 0.000 0.332 227 R C -1.378 174.721 176.300 -0.336 0.000 0.989 227 R CA -0.524 55.367 56.100 -0.347 0.000 0.842 227 R CB 0.808 30.939 30.300 -0.283 0.000 1.119 227 R HN 0.624 nan 8.270 nan 0.000 0.456 228 V N 6.365 126.216 119.914 -0.105 0.000 2.763 228 V HA -0.011 4.109 4.120 -0.000 0.000 0.306 228 V C 1.039 177.106 176.094 -0.044 0.000 1.059 228 V CA -0.097 62.197 62.300 -0.011 0.000 1.138 228 V CB 0.569 32.375 31.823 -0.028 0.000 0.940 228 V HN 0.686 nan 8.190 nan 0.000 0.489 229 L N 4.674 125.895 121.223 -0.003 0.000 2.472 229 L HA 0.538 4.878 4.340 -0.000 0.000 0.260 229 L C -2.384 174.475 176.870 -0.019 0.000 1.209 229 L CA -1.650 53.178 54.840 -0.019 0.000 0.817 229 L CB -0.058 42.001 42.059 0.001 0.000 1.106 229 L HN 0.349 nan 8.230 nan 0.000 0.479 230 P HA -0.018 nan 4.420 nan 0.000 0.267 230 P C -1.140 176.157 177.300 -0.006 0.000 1.200 230 P CA 0.044 63.141 63.100 -0.004 0.000 0.772 230 P CB 0.333 32.036 31.700 0.006 0.000 0.855 231 D N 2.788 123.187 120.400 -0.001 0.000 2.359 231 D HA -0.005 4.635 4.640 -0.000 0.000 0.250 231 D C 1.323 177.624 176.300 0.001 0.000 1.264 231 D CA -0.095 53.896 54.000 -0.015 0.000 0.911 231 D CB 0.520 41.301 40.800 -0.030 0.000 1.056 231 D HN 0.340 nan 8.370 nan 0.000 0.499 232 R N 3.707 124.200 120.500 -0.012 0.000 2.152 232 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 232 R C 1.387 177.691 176.300 0.006 0.000 1.117 232 R CA 0.565 56.664 56.100 -0.001 0.000 0.981 232 R CB -0.113 30.174 30.300 -0.023 0.000 0.870 232 R HN 0.343 nan 8.270 nan 0.000 0.451 233 I N 1.721 122.278 120.570 -0.022 0.000 2.353 233 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 233 I C 2.488 178.610 176.117 0.009 0.000 1.119 233 I CA 1.141 62.428 61.300 -0.021 0.000 1.417 233 I CB -1.144 36.819 38.000 -0.062 0.000 1.078 233 I HN 0.356 nan 8.210 nan 0.000 0.421 234 E N 0.982 121.175 120.200 -0.013 0.000 2.077 234 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 234 E C 2.037 178.779 176.600 0.236 0.000 0.989 234 E CA 1.957 58.412 56.400 0.092 0.000 0.800 234 E CB 0.185 29.953 29.700 0.114 0.000 0.746 234 E HN 0.384 nan 8.360 nan 0.000 0.452 235 T N -0.142 114.529 114.554 0.195 0.000 2.652 235 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 235 T C 1.770 176.586 174.700 0.193 0.000 1.039 235 T CA 1.379 63.609 62.100 0.217 0.000 1.153 235 T CB -0.763 68.183 68.868 0.131 0.000 0.863 235 T HN 0.410 nan 8.240 nan 0.000 0.428 236 G N 0.850 109.728 108.800 0.131 0.000 2.450 236 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 236 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 236 G C 1.701 176.672 174.900 0.119 0.000 1.130 236 G CA 1.459 46.640 45.100 0.135 0.000 0.760 236 G HN 0.465 nan 8.290 nan 0.000 0.557 237 T N 0.763 115.361 114.554 0.075 0.000 2.708 237 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 237 T C 2.030 176.650 174.700 -0.133 0.000 1.037 237 T CA 0.966 63.039 62.100 -0.045 0.000 1.146 237 T CB -0.325 68.504 68.868 -0.065 0.000 0.865 237 T HN 0.300 nan 8.240 nan 0.000 0.435 238 F N 0.767 120.774 119.950 0.095 0.000 2.259 238 F HA 0.131 4.658 4.527 -0.000 0.000 0.298 238 F C 2.075 177.898 175.800 0.038 0.000 1.088 238 F CA 0.511 58.547 58.000 0.059 0.000 1.358 238 F CB -0.390 38.652 39.000 0.069 0.000 1.040 238 F HN 0.063 nan 8.300 nan 0.000 0.505 239 L N -0.873 120.474 121.223 0.207 0.000 2.093 239 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 239 L C 2.274 179.176 176.870 0.053 0.000 1.085 239 L CA 0.607 55.525 54.840 0.131 0.000 0.755 239 L CB -0.639 41.499 42.059 0.132 0.000 0.904 239 L HN -0.026 nan 8.230 nan 0.000 0.435 240 V N -0.112 119.804 119.914 0.004 0.000 2.548 240 V HA -0.218 3.901 4.120 -0.000 0.000 0.249 240 V C 2.712 178.764 176.094 -0.070 0.000 1.055 240 V CA 1.492 63.726 62.300 -0.109 0.000 1.065 240 V CB -0.576 31.136 31.823 -0.185 0.000 0.681 240 V HN 0.455 nan 8.190 nan 0.000 0.462 241 A N 0.213 123.021 122.820 -0.020 0.000 1.883 241 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 241 A C 2.417 180.012 177.584 0.018 0.000 1.186 241 A CA 2.361 54.400 52.037 0.004 0.000 0.624 241 A CB -0.755 18.292 19.000 0.079 0.000 0.822 241 A HN 0.568 nan 8.150 nan 0.000 0.444 242 A N -0.380 122.464 122.820 0.040 0.000 1.872 242 A HA 0.245 4.565 4.320 -0.000 0.000 0.214 242 A C 2.525 180.104 177.584 -0.008 0.000 1.187 242 A CA 1.916 53.966 52.037 0.022 0.000 0.614 242 A CB -1.108 17.911 19.000 0.032 0.000 0.826 242 A HN 1.141 nan 8.150 nan 0.000 0.442 243 A N 0.598 123.405 122.820 -0.021 0.000 1.986 243 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 243 A C 2.026 179.582 177.584 -0.046 0.000 1.171 243 A CA 1.673 53.686 52.037 -0.039 0.000 0.640 243 A CB -0.833 18.126 19.000 -0.069 0.000 0.811 243 A HN 1.038 nan 8.150 nan 0.000 0.451 244 I N -2.956 117.582 120.570 -0.054 0.000 3.728 244 I HA 0.115 4.285 4.170 -0.000 0.000 0.307 244 I C 1.331 177.434 176.117 -0.024 0.000 1.276 244 I CA 1.106 62.379 61.300 -0.046 0.000 1.285 244 I CB 0.223 38.187 38.000 -0.060 0.000 1.038 244 I HN 0.236 nan 8.210 nan 0.000 0.445 245 S N -0.083 115.608 115.700 -0.016 0.000 2.663 245 S HA 0.446 4.916 4.470 -0.000 0.000 0.243 245 S C 1.491 176.089 174.600 -0.004 0.000 1.009 245 S CA 0.134 58.330 58.200 -0.007 0.000 0.988 245 S CB 0.209 63.408 63.200 -0.003 0.000 0.896 245 S HN 0.712 nan 8.310 nan 0.000 0.502 246 G N 0.600 109.397 108.800 -0.006 0.000 2.186 246 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.266 246 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.266 246 G C 0.596 175.490 174.900 -0.011 0.000 0.982 246 G CA 0.201 45.300 45.100 -0.002 0.000 0.670 246 G HN 1.102 nan 8.290 nan 0.000 0.533 247 G N -0.919 107.872 108.800 -0.014 0.000 2.525 247 G HA2 0.601 4.561 3.960 -0.000 0.000 0.287 247 G HA3 0.601 4.561 3.960 -0.000 0.000 0.287 247 G C -0.134 174.742 174.900 -0.040 0.000 1.350 247 G CA 0.115 45.204 45.100 -0.018 0.000 1.039 247 G HN 0.631 nan 8.290 nan 0.000 0.513 248 K N -1.287 119.091 120.400 -0.036 0.000 2.426 248 K HA 0.689 5.009 4.320 -0.000 0.000 0.251 248 K C -1.646 174.944 176.600 -0.016 0.000 0.941 248 K CA -0.783 55.476 56.287 -0.048 0.000 0.808 248 K CB 2.265 34.724 32.500 -0.069 0.000 1.265 248 K HN 0.446 nan 8.250 nan 0.000 0.432 249 I N 2.326 122.896 120.570 0.001 0.000 3.004 249 I HA 0.418 4.588 4.170 -0.000 0.000 0.305 249 I C -1.853 174.284 176.117 0.033 0.000 1.312 249 I CA -0.946 60.362 61.300 0.013 0.000 0.992 249 I CB 2.363 40.386 38.000 0.040 0.000 1.282 249 I HN 0.401 nan 8.210 nan 0.000 0.449 250 V N 5.059 124.983 119.914 0.017 0.000 2.483 250 V HA 0.368 4.488 4.120 -0.000 0.000 0.297 250 V C -0.717 175.407 176.094 0.049 0.000 1.027 250 V CA -0.559 61.771 62.300 0.050 0.000 0.855 250 V CB 1.444 33.248 31.823 -0.031 0.000 0.995 250 V HN 0.779 nan 8.190 nan 0.000 0.424 251 C N 6.140 125.512 119.300 0.119 0.000 2.285 251 C HA 0.622 5.082 4.460 -0.000 0.000 0.335 251 C C 0.536 175.608 174.990 0.136 0.000 1.267 251 C CA -1.055 58.018 59.018 0.091 0.000 1.762 251 C CB 0.048 27.860 27.740 0.120 0.000 2.365 251 C HN 0.738 nan 8.230 nan 0.000 0.527 252 R N 2.394 122.939 120.500 0.074 0.000 2.573 252 R HA 0.284 4.624 4.340 -0.000 0.000 0.272 252 R C 0.283 176.629 176.300 0.076 0.000 1.009 252 R CA -0.391 55.766 56.100 0.094 0.000 1.059 252 R CB 0.290 30.610 30.300 0.033 0.000 1.112 252 R HN 0.783 nan 8.270 nan 0.000 0.517 253 N N -1.273 117.478 118.700 0.084 0.000 2.754 253 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 253 N C -1.090 174.449 175.510 0.048 0.000 1.093 253 N CA 1.176 54.257 53.050 0.052 0.000 0.699 253 N CB -0.944 37.559 38.487 0.027 0.000 1.016 253 N HN 0.746 nan 8.380 nan 0.000 0.552 254 A N -0.200 122.660 122.820 0.065 0.000 2.269 254 A HA 0.707 5.027 4.320 -0.000 0.000 0.327 254 A C 0.216 177.806 177.584 0.010 0.000 1.112 254 A CA -0.382 51.683 52.037 0.046 0.000 0.865 254 A CB 1.118 20.159 19.000 0.068 0.000 1.227 254 A HN 0.217 nan 8.150 nan 0.000 0.498 255 Q N 0.661 120.460 119.800 -0.002 0.000 2.771 255 Q HA 0.305 4.644 4.340 -0.000 0.000 0.247 255 Q C -2.255 173.730 176.000 -0.025 0.000 0.986 255 Q CA -1.781 54.009 55.803 -0.021 0.000 0.713 255 Q CB 1.209 29.938 28.738 -0.014 0.000 1.241 255 Q HN 0.444 nan 8.270 nan 0.000 0.488 256 P HA -0.248 nan 4.420 nan 0.000 0.218 256 P C 0.641 177.926 177.300 -0.025 0.000 1.154 256 P CA 1.805 64.870 63.100 -0.057 0.000 0.872 256 P CB 0.184 31.808 31.700 -0.126 0.000 0.790 257 D N -1.389 118.998 120.400 -0.021 0.000 2.351 257 D HA -0.124 4.516 4.640 -0.000 0.000 0.216 257 D C 1.191 177.520 176.300 0.049 0.000 0.968 257 D CA 1.553 55.557 54.000 0.006 0.000 0.899 257 D CB -1.564 39.238 40.800 0.003 0.000 0.907 257 D HN 0.257 nan 8.370 nan 0.000 0.514 258 T N -2.651 111.930 114.554 0.045 0.000 3.107 258 T HA 0.217 4.567 4.350 -0.000 0.000 0.249 258 T C 1.212 175.974 174.700 0.103 0.000 1.096 258 T CA -0.274 61.874 62.100 0.080 0.000 1.012 258 T CB -0.311 68.556 68.868 -0.002 0.000 0.977 258 T HN 0.203 nan 8.240 nan 0.000 0.527 259 L N 0.526 121.787 121.223 0.062 0.000 3.358 259 L HA 0.362 4.702 4.340 -0.000 0.000 0.301 259 L C 0.855 177.743 176.870 0.030 0.000 1.276 259 L CA -0.318 54.547 54.840 0.041 0.000 1.028 259 L CB 0.522 42.602 42.059 0.034 0.000 1.421 259 L HN -0.007 nan 8.230 nan 0.000 0.604 260 D N 1.622 122.037 120.400 0.025 0.000 2.126 260 D HA -0.242 4.398 4.640 -0.000 0.000 0.190 260 D C 2.149 178.459 176.300 0.016 0.000 1.001 260 D CA 1.842 55.848 54.000 0.010 0.000 0.841 260 D CB 0.187 40.981 40.800 -0.011 0.000 0.949 260 D HN 0.403 nan 8.370 nan 0.000 0.446 261 A N 0.730 123.549 122.820 -0.001 0.000 1.883 261 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 261 A C 2.633 180.254 177.584 0.062 0.000 1.186 261 A CA 1.623 53.675 52.037 0.024 0.000 0.624 261 A CB -0.859 18.146 19.000 0.007 0.000 0.822 261 A HN 0.161 nan 8.150 nan 0.000 0.444 262 V N 0.236 120.151 119.914 0.002 0.000 2.295 262 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 262 V C 2.577 178.782 176.094 0.184 0.000 1.049 262 V CA 1.987 64.320 62.300 0.055 0.000 1.024 262 V CB -0.786 31.043 31.823 0.011 0.000 0.648 262 V HN 0.571 nan 8.190 nan 0.000 0.447 263 L N 0.040 121.336 121.223 0.122 0.000 2.083 263 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 263 L C 2.724 179.667 176.870 0.122 0.000 1.083 263 L CA 1.498 56.411 54.840 0.122 0.000 0.752 263 L CB -0.862 41.240 42.059 0.072 0.000 0.899 263 L HN 0.376 nan 8.230 nan 0.000 0.433 264 A N -0.042 122.838 122.820 0.099 0.000 1.902 264 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 264 A C 2.300 179.954 177.584 0.118 0.000 1.181 264 A CA 1.680 53.770 52.037 0.087 0.000 0.623 264 A CB -0.311 18.725 19.000 0.061 0.000 0.818 264 A HN 0.154 nan 8.150 nan 0.000 0.443 265 K N -0.185 120.312 120.400 0.161 0.000 2.097 265 K HA 0.112 4.432 4.320 -0.000 0.000 0.205 265 K C 1.750 178.535 176.600 0.308 0.000 1.050 265 K CA 0.912 57.324 56.287 0.208 0.000 0.938 265 K CB -0.466 32.135 32.500 0.169 0.000 0.718 265 K HN 0.505 nan 8.250 nan 0.000 0.442 266 L N 0.023 121.447 121.223 0.335 0.000 2.093 266 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 266 L C 2.319 179.281 176.870 0.155 0.000 1.085 266 L CA 1.198 56.192 54.840 0.256 0.000 0.755 266 L CB -0.260 41.931 42.059 0.219 0.000 0.904 266 L HN 0.153 nan 8.230 nan 0.000 0.435 267 R N 0.013 120.593 120.500 0.134 0.000 2.081 267 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 267 R C 2.085 178.440 176.300 0.091 0.000 1.131 267 R CA 1.254 57.413 56.100 0.098 0.000 0.960 267 R CB -0.258 30.091 30.300 0.083 0.000 0.856 267 R HN 0.433 nan 8.270 nan 0.000 0.436 268 E N 0.310 120.570 120.200 0.099 0.000 2.204 268 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 268 E C 1.651 178.301 176.600 0.083 0.000 0.990 268 E CA 1.015 57.465 56.400 0.082 0.000 0.821 268 E CB 0.031 29.779 29.700 0.080 0.000 0.750 268 E HN 0.340 nan 8.360 nan 0.000 0.477 269 A N -0.280 122.602 122.820 0.103 0.000 2.208 269 A HA 0.205 4.525 4.320 -0.000 0.000 0.209 269 A C 1.659 179.280 177.584 0.061 0.000 1.161 269 A CA 0.957 53.043 52.037 0.081 0.000 0.782 269 A CB 0.020 19.071 19.000 0.085 0.000 0.816 269 A HN 0.345 nan 8.150 nan 0.000 0.477 270 G N -2.450 106.391 108.800 0.069 0.000 2.168 270 G HA2 0.187 4.147 3.960 -0.000 0.000 0.197 270 G HA3 0.187 4.147 3.960 -0.000 0.000 0.197 270 G C 0.326 175.271 174.900 0.075 0.000 0.997 270 G CA 0.063 45.203 45.100 0.067 0.000 0.658 270 G HN 1.434 nan 8.290 nan 0.000 0.513 271 A N 0.160 123.022 122.820 0.071 0.000 2.371 271 A HA 0.569 4.889 4.320 -0.000 0.000 0.257 271 A C 0.116 177.747 177.584 0.078 0.000 1.089 271 A CA 0.579 52.652 52.037 0.061 0.000 0.794 271 A CB 0.580 19.613 19.000 0.055 0.000 1.029 271 A HN 0.539 nan 8.150 nan 0.000 0.488 272 D N 1.941 122.382 120.400 0.068 0.000 2.428 272 D HA 0.459 5.099 4.640 -0.000 0.000 0.221 272 D C -0.599 175.748 176.300 0.078 0.000 1.123 272 D CA 0.063 54.127 54.000 0.106 0.000 0.869 272 D CB -0.034 40.887 40.800 0.201 0.000 1.032 272 D HN 0.349 nan 8.370 nan 0.000 0.506 273 I N 2.739 123.362 120.570 0.087 0.000 2.441 273 I HA 0.392 4.562 4.170 -0.000 0.000 0.295 273 I C 0.288 176.461 176.117 0.094 0.000 0.994 273 I CA -0.786 60.567 61.300 0.089 0.000 1.144 273 I CB 1.817 39.864 38.000 0.078 0.000 1.314 273 I HN 0.259 nan 8.210 nan 0.000 0.445 274 E N 3.157 123.433 120.200 0.127 0.000 2.317 274 E HA 0.551 4.901 4.350 -0.000 0.000 0.270 274 E C -1.123 175.480 176.600 0.005 0.000 0.885 274 E CA -0.711 55.764 56.400 0.124 0.000 0.760 274 E CB 2.752 32.607 29.700 0.258 0.000 1.227 274 E HN 0.685 nan 8.360 nan 0.000 0.434 275 T N -1.160 113.231 114.554 -0.271 0.000 2.906 275 T HA 0.827 5.177 4.350 -0.000 0.000 0.295 275 T C 0.138 174.115 174.700 -1.206 0.000 1.075 275 T CA -0.755 60.917 62.100 -0.713 0.000 1.005 275 T CB 1.925 70.565 68.868 -0.379 0.000 1.136 275 T HN 0.491 nan 8.240 nan 0.000 0.498 276 G N -0.041 107.661 108.800 -1.830 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 0.269 174.748 174.900 -0.703 0.000 1.320 276 G CA -0.490 43.759 45.100 -1.419 0.000 0.982 276 G HN 0.708 nan 8.290 nan 0.000 0.575 277 E N -0.348 119.652 120.200 -0.334 0.000 2.072 277 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 277 E C 0.912 177.432 176.600 -0.132 0.000 0.985 277 E CA 2.037 58.348 56.400 -0.147 0.000 0.801 277 E CB 0.153 29.841 29.700 -0.019 0.000 0.750 277 E HN 0.470 nan 8.360 nan 0.000 0.452 278 D N -1.160 119.186 120.400 -0.090 0.000 2.760 278 D HA 0.073 4.713 4.640 -0.000 0.000 0.314 278 D C -0.497 175.871 176.300 0.113 0.000 1.464 278 D CA -0.576 53.429 54.000 0.008 0.000 0.797 278 D CB -0.873 39.971 40.800 0.074 0.000 1.149 278 D HN 0.305 nan 8.370 nan 0.000 0.455 279 W N -0.140 121.164 121.300 0.007 0.000 3.137 279 W HA 0.675 5.335 4.660 -0.000 0.000 0.324 279 W C -2.092 174.436 176.519 0.016 0.000 1.253 279 W CA -1.280 56.070 57.345 0.008 0.000 1.183 279 W CB 0.478 29.939 29.460 0.002 0.000 1.424 279 W HN -0.288 nan 8.180 nan 0.000 0.566 280 I N 2.879 123.658 120.570 0.347 0.000 2.619 280 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 280 I C -0.238 176.115 176.117 0.393 0.000 1.100 280 I CA -0.755 60.678 61.300 0.222 0.000 1.043 280 I CB 2.609 40.665 38.000 0.094 0.000 1.239 280 I HN 0.458 nan 8.210 nan 0.000 0.420 281 S N 6.751 122.686 115.700 0.392 0.000 2.513 281 S HA 0.832 5.302 4.470 -0.000 0.000 0.299 281 S C -1.076 173.620 174.600 0.160 0.000 1.087 281 S CA -0.731 57.633 58.200 0.273 0.000 1.012 281 S CB 2.256 65.634 63.200 0.296 0.000 1.044 281 S HN 0.644 nan 8.310 nan 0.000 0.485 282 L N 2.274 123.552 121.223 0.092 0.000 2.410 282 L HA 0.680 5.020 4.340 -0.000 0.000 0.270 282 L C -1.914 174.942 176.870 -0.024 0.000 0.983 282 L CA -0.298 54.569 54.840 0.046 0.000 0.822 282 L CB 1.879 43.972 42.059 0.057 0.000 1.285 282 L HN 0.838 nan 8.230 nan 0.000 0.409 283 D N 4.848 125.187 120.400 -0.102 0.000 2.696 283 D HA 0.288 4.928 4.640 -0.000 0.000 0.251 283 D C 0.200 176.293 176.300 -0.345 0.000 1.188 283 D CA -0.423 53.409 54.000 -0.280 0.000 0.876 283 D CB 1.939 42.455 40.800 -0.474 0.000 1.334 283 D HN 0.486 nan 8.370 nan 0.000 0.540 284 M N 1.594 121.057 119.600 -0.229 0.000 2.509 284 M HA 0.029 4.509 4.480 -0.000 0.000 0.250 284 M C 0.122 176.404 176.300 -0.031 0.000 1.132 284 M CA 0.256 55.497 55.300 -0.099 0.000 1.080 284 M CB -0.641 31.940 32.600 -0.033 0.000 1.408 284 M HN 0.491 nan 8.290 nan 0.000 0.484 285 H N 0.061 119.144 119.070 0.022 0.000 2.770 285 H HA -0.153 4.403 4.556 -0.000 0.000 0.309 285 H C 1.306 176.642 175.328 0.014 0.000 1.206 285 H CA 0.908 56.967 56.048 0.018 0.000 1.147 285 H CB -2.243 27.530 29.762 0.019 0.000 1.422 285 H HN 0.637 nan 8.280 nan 0.000 0.420 286 G N -0.512 108.329 108.800 0.069 0.000 2.180 286 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.263 286 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.263 286 G C 0.413 175.341 174.900 0.047 0.000 0.989 286 G CA 0.931 46.060 45.100 0.049 0.000 0.692 286 G HN 0.403 nan 8.290 nan 0.000 0.526 287 K N 0.074 120.510 120.400 0.059 0.000 2.144 287 K HA 0.411 4.731 4.320 -0.000 0.000 0.270 287 K C 0.703 177.321 176.600 0.030 0.000 1.005 287 K CA -0.867 55.449 56.287 0.049 0.000 0.932 287 K CB 1.210 33.751 32.500 0.068 0.000 1.021 287 K HN 0.422 nan 8.250 nan 0.000 0.462 288 R N 3.022 123.537 120.500 0.025 0.000 2.490 288 R HA 0.156 4.496 4.340 -0.000 0.000 0.280 288 R C -2.000 174.310 176.300 0.017 0.000 1.077 288 R CA -1.134 54.976 56.100 0.016 0.000 1.065 288 R CB 0.398 30.708 30.300 0.016 0.000 1.003 288 R HN 0.357 nan 8.270 nan 0.000 0.470 289 P HA 0.072 nan 4.420 nan 0.000 0.272 289 P C -1.261 176.049 177.300 0.018 0.000 1.223 289 P CA -0.116 62.990 63.100 0.010 0.000 0.784 289 P CB 0.765 32.457 31.700 -0.013 0.000 0.923 290 K N 1.100 121.517 120.400 0.028 0.000 2.172 290 K HA 0.470 4.790 4.320 -0.000 0.000 0.276 290 K C 0.257 176.877 176.600 0.034 0.000 1.013 290 K CA -0.616 55.689 56.287 0.030 0.000 0.913 290 K CB 1.313 33.835 32.500 0.036 0.000 1.055 290 K HN 0.554 nan 8.250 nan 0.000 0.461 291 A N 2.333 125.170 122.820 0.027 0.000 2.531 291 A HA 0.262 4.582 4.320 -0.000 0.000 0.236 291 A C 0.377 177.981 177.584 0.034 0.000 1.062 291 A CA -0.242 51.810 52.037 0.026 0.000 0.760 291 A CB -0.085 18.923 19.000 0.014 0.000 0.995 291 A HN 0.545 nan 8.150 nan 0.000 0.501 292 V N -0.214 119.727 119.914 0.045 0.000 3.074 292 V HA 0.878 4.998 4.120 -0.000 0.000 0.314 292 V C -0.092 176.001 176.094 -0.002 0.000 1.117 292 V CA -0.601 61.724 62.300 0.042 0.000 1.014 292 V CB 1.789 33.671 31.823 0.098 0.000 1.057 292 V HN 0.765 nan 8.190 nan 0.000 0.438 293 T N 1.923 116.457 114.554 -0.033 0.000 2.779 293 T HA 0.732 5.082 4.350 -0.000 0.000 0.280 293 T C -0.587 174.027 174.700 -0.144 0.000 0.987 293 T CA -0.264 61.793 62.100 -0.071 0.000 0.966 293 T CB 1.294 70.133 68.868 -0.049 0.000 0.933 293 T HN 0.750 nan 8.240 nan 0.000 0.442 294 V N 3.679 123.465 119.914 -0.213 0.000 2.823 294 V HA 0.682 4.802 4.120 -0.000 0.000 0.312 294 V C -0.216 175.721 176.094 -0.262 0.000 1.072 294 V CA -1.041 61.019 62.300 -0.399 0.000 0.937 294 V CB 2.245 33.582 31.823 -0.810 0.000 1.013 294 V HN 0.768 nan 8.190 nan 0.000 0.430 295 R N 2.296 122.657 120.500 -0.231 0.000 2.575 295 R HA 0.407 4.747 4.340 -0.000 0.000 0.292 295 R C -0.190 176.105 176.300 -0.009 0.000 1.246 295 R CA -0.266 55.784 56.100 -0.084 0.000 0.973 295 R CB 1.530 31.803 30.300 -0.046 0.000 1.187 295 R HN 0.943 nan 8.270 nan 0.000 0.478 296 T N 1.050 115.641 114.554 0.062 0.000 2.903 296 T HA 0.575 4.925 4.350 -0.000 0.000 0.314 296 T C 0.277 175.031 174.700 0.089 0.000 1.078 296 T CA 0.110 62.318 62.100 0.181 0.000 1.114 296 T CB 1.443 70.430 68.868 0.199 0.000 0.987 296 T HN 0.716 nan 8.240 nan 0.000 0.548 297 A N 2.769 125.642 122.820 0.087 0.000 2.515 297 A HA 0.720 5.040 4.320 -0.000 0.000 0.292 297 A C -3.144 174.459 177.584 0.031 0.000 1.065 297 A CA -1.670 50.385 52.037 0.030 0.000 0.641 297 A CB 0.148 19.159 19.000 0.019 0.000 1.306 297 A HN 0.658 nan 8.150 nan 0.000 0.441 298 P HA 0.283 nan 4.420 nan 0.000 0.269 298 P C -0.364 176.971 177.300 0.059 0.000 1.215 298 P CA 0.321 63.442 63.100 0.035 0.000 0.780 298 P CB 0.161 31.871 31.700 0.017 0.000 0.898 299 H N 3.941 123.006 119.070 -0.007 0.000 3.016 299 H HA 0.002 4.558 4.556 -0.000 0.000 0.345 299 H C -1.215 174.110 175.328 -0.006 0.000 1.066 299 H CA -0.606 55.436 56.048 -0.010 0.000 1.390 299 H CB 0.218 29.975 29.762 -0.009 0.000 1.344 299 H HN 0.319 nan 8.280 nan 0.000 0.605 300 P HA 0.121 nan 4.420 nan 0.000 0.255 300 P C -0.360 176.721 177.300 -0.365 0.000 1.301 300 P CA 0.217 62.723 63.100 -0.989 0.000 0.817 300 P CB -0.075 31.203 31.700 -0.704 0.000 1.259 301 A N 0.508 123.234 122.820 -0.157 0.000 2.262 301 A HA 0.230 4.549 4.320 -0.000 0.000 0.273 301 A C -0.201 177.396 177.584 0.022 0.000 1.202 301 A CA -0.535 51.482 52.037 -0.034 0.000 0.811 301 A CB -0.586 18.418 19.000 0.007 0.000 1.159 301 A HN 0.174 nan 8.150 nan 0.000 0.505 302 F N 1.851 121.758 119.950 -0.071 0.000 2.571 302 F HA 0.269 4.796 4.527 -0.000 0.000 0.384 302 F C -1.628 174.150 175.800 -0.037 0.000 1.058 302 F CA -1.528 56.419 58.000 -0.087 0.000 1.200 302 F CB 0.552 39.464 39.000 -0.147 0.000 1.077 302 F HN 0.256 nan 8.300 nan 0.000 0.558 303 P HA -0.024 nan 4.420 nan 0.000 0.276 303 P C 0.319 177.579 177.300 -0.067 0.000 1.230 303 P CA -0.050 62.943 63.100 -0.177 0.000 0.776 303 P CB 1.540 33.117 31.700 -0.206 0.000 0.888 304 T N 2.174 116.795 114.554 0.111 0.000 2.881 304 T HA -0.136 4.213 4.350 -0.000 0.000 0.270 304 T C 1.711 176.514 174.700 0.173 0.000 1.068 304 T CA 1.599 63.825 62.100 0.211 0.000 1.131 304 T CB -0.587 68.435 68.868 0.256 0.000 0.871 304 T HN 0.447 nan 8.240 nan 0.000 0.479 305 A N 0.492 123.369 122.820 0.094 0.000 2.216 305 A HA 0.178 4.498 4.320 -0.000 0.000 0.214 305 A C 2.072 179.685 177.584 0.048 0.000 1.160 305 A CA 0.850 52.922 52.037 0.058 0.000 0.725 305 A CB -0.353 18.663 19.000 0.027 0.000 0.784 305 A HN 0.506 nan 8.150 nan 0.000 0.472 306 M N -1.318 118.302 119.600 0.033 0.000 2.308 306 M HA 0.071 4.551 4.480 -0.000 0.000 0.269 306 M C 1.875 178.416 176.300 0.400 0.000 1.040 306 M CA 0.380 55.743 55.300 0.105 0.000 1.024 306 M CB -0.116 32.345 32.600 -0.230 0.000 1.465 306 M HN 0.608 nan 8.290 nan 0.000 0.517 307 Q N 1.023 121.076 119.800 0.422 0.000 2.061 307 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 307 Q C 1.745 177.924 176.000 0.299 0.000 0.984 307 Q CA 2.271 58.353 55.803 0.465 0.000 0.846 307 Q CB 0.009 28.980 28.738 0.389 0.000 0.902 307 Q HN 0.459 nan 8.270 nan 0.000 0.421 308 A N 0.623 123.480 122.820 0.061 0.000 1.883 308 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 308 A C 2.019 179.548 177.584 -0.093 0.000 1.186 308 A CA 1.921 53.738 52.037 -0.367 0.000 0.624 308 A CB -0.626 17.995 19.000 -0.632 0.000 0.822 308 A HN 0.502 nan 8.150 nan 0.000 0.444 309 Q N -1.196 118.632 119.800 0.048 0.000 2.096 309 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 309 Q C 1.661 177.717 176.000 0.092 0.000 0.982 309 Q CA 1.775 57.615 55.803 0.061 0.000 0.850 309 Q CB -0.479 28.316 28.738 0.095 0.000 0.901 309 Q HN 0.690 nan 8.270 nan 0.000 0.422 310 F N -0.012 120.017 119.950 0.131 0.000 2.407 310 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 310 F C 2.108 177.950 175.800 0.070 0.000 1.097 310 F CA 1.060 59.135 58.000 0.126 0.000 1.422 310 F CB -0.248 38.865 39.000 0.187 0.000 1.067 310 F HN 0.023 nan 8.300 nan 0.000 0.539 311 T N 0.488 115.186 114.554 0.241 0.000 2.746 311 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 311 T C 2.026 176.787 174.700 0.102 0.000 1.039 311 T CA 1.290 63.498 62.100 0.180 0.000 1.142 311 T CB -0.518 68.556 68.868 0.342 0.000 0.866 311 T HN 0.144 nan 8.240 nan 0.000 0.444 312 L N 1.422 122.695 121.223 0.083 0.000 1.989 312 L HA 0.017 4.357 4.340 -0.000 0.000 0.211 312 L C 2.254 179.117 176.870 -0.011 0.000 1.071 312 L CA 1.582 56.440 54.840 0.029 0.000 0.749 312 L CB -1.015 41.043 42.059 -0.002 0.000 0.890 312 L HN 0.266 nan 8.230 nan 0.000 0.431 313 L N -0.300 120.887 121.223 -0.061 0.000 2.021 313 L HA -0.315 4.025 4.340 -0.000 0.000 0.215 313 L C 2.288 179.136 176.870 -0.037 0.000 1.074 313 L CA 2.038 56.817 54.840 -0.102 0.000 0.760 313 L CB -0.580 41.321 42.059 -0.264 0.000 0.889 313 L HN 0.433 nan 8.230 nan 0.000 0.433 314 N N -0.069 118.631 118.700 0.000 0.000 2.166 314 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 314 N C 1.828 177.339 175.510 0.001 0.000 1.019 314 N CA 1.418 54.473 53.050 0.008 0.000 0.856 314 N CB -0.405 38.088 38.487 0.009 0.000 0.993 314 N HN 0.382 nan 8.380 nan 0.000 0.426 315 L N 0.499 121.724 121.223 0.004 0.000 2.353 315 L HA -0.059 4.281 4.340 -0.000 0.000 0.220 315 L C 1.347 178.234 176.870 0.027 0.000 1.133 315 L CA 0.621 55.470 54.840 0.014 0.000 0.798 315 L CB -0.080 41.986 42.059 0.013 0.000 0.922 315 L HN 0.093 nan 8.230 nan 0.000 0.445 316 V N -4.843 115.080 119.914 0.014 0.000 3.159 316 V HA 0.555 4.675 4.120 -0.000 0.000 0.333 316 V C 0.594 176.695 176.094 0.010 0.000 1.424 316 V CA -0.271 62.038 62.300 0.015 0.000 1.125 316 V CB -0.177 31.648 31.823 0.004 0.000 1.075 316 V HN 0.091 nan 8.190 nan 0.000 0.482 317 A N 0.559 123.386 122.820 0.011 0.000 2.256 317 A HA 0.796 5.116 4.320 -0.000 0.000 0.318 317 A C -0.115 177.480 177.584 0.019 0.000 1.103 317 A CA -0.534 51.510 52.037 0.011 0.000 0.860 317 A CB 1.127 20.132 19.000 0.009 0.000 1.182 317 A HN 0.441 nan 8.150 nan 0.000 0.501 318 E N -0.161 120.050 120.200 0.019 0.000 2.105 318 E HA 0.488 4.838 4.350 -0.000 0.000 0.285 318 E C 0.404 177.018 176.600 0.022 0.000 1.055 318 E CA 1.286 57.698 56.400 0.020 0.000 0.843 318 E CB -0.032 29.679 29.700 0.018 0.000 1.067 318 E HN 1.624 nan 8.360 nan 0.000 0.398 319 G N 2.738 111.554 108.800 0.027 0.000 2.422 319 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.607 319 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.607 319 G C -0.728 174.196 174.900 0.039 0.000 1.270 319 G CA -0.498 44.621 45.100 0.032 0.000 0.992 319 G HN 0.494 nan 8.290 nan 0.000 0.499 320 T N 1.229 115.805 114.554 0.037 0.000 2.753 320 T HA 0.628 4.978 4.350 -0.000 0.000 0.297 320 T C 0.690 175.372 174.700 -0.031 0.000 0.981 320 T CA 0.556 62.664 62.100 0.014 0.000 0.956 320 T CB 1.089 69.994 68.868 0.062 0.000 0.936 320 T HN 1.393 nan 8.240 nan 0.000 0.463 321 G N 1.865 110.625 108.800 -0.067 0.000 2.371 321 G HA2 0.603 4.563 3.960 -0.000 0.000 0.326 321 G HA3 0.603 4.563 3.960 -0.000 0.000 0.326 321 G C -0.967 173.878 174.900 -0.093 0.000 1.127 321 G CA -0.476 44.591 45.100 -0.056 0.000 0.885 321 G HN 0.625 nan 8.290 nan 0.000 0.477 322 V N 2.905 122.775 119.914 -0.072 0.000 2.487 322 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 322 V C -0.271 175.780 176.094 -0.071 0.000 1.028 322 V CA -0.552 61.700 62.300 -0.080 0.000 0.860 322 V CB 1.477 33.264 31.823 -0.059 0.000 0.991 322 V HN 0.626 nan 8.190 nan 0.000 0.427 323 I N 3.528 124.059 120.570 -0.064 0.000 2.406 323 I HA 0.489 4.659 4.170 -0.000 0.000 0.290 323 I C -0.190 175.977 176.117 0.082 0.000 0.999 323 I CA -0.185 61.100 61.300 -0.024 0.000 1.124 323 I CB 2.234 40.239 38.000 0.009 0.000 1.289 323 I HN 0.504 nan 8.210 nan 0.000 0.441 324 T N 4.266 118.865 114.554 0.074 0.000 2.791 324 T HA 0.252 4.602 4.350 -0.000 0.000 0.288 324 T C -0.445 174.327 174.700 0.120 0.000 0.999 324 T CA -0.473 61.707 62.100 0.132 0.000 0.952 324 T CB 1.349 70.251 68.868 0.055 0.000 0.938 324 T HN 0.440 nan 8.240 nan 0.000 0.444 325 E N 2.119 122.408 120.200 0.148 0.000 2.167 325 E HA 0.361 4.711 4.350 -0.000 0.000 0.284 325 E C 0.925 177.510 176.600 -0.025 0.000 1.016 325 E CA -0.474 55.948 56.400 0.036 0.000 0.817 325 E CB 0.735 30.356 29.700 -0.132 0.000 1.080 325 E HN 0.653 nan 8.360 nan 0.000 0.397 326 T N 2.063 116.604 114.554 -0.021 0.000 3.044 326 T HA 0.190 4.540 4.350 -0.000 0.000 0.260 326 T C 1.099 175.730 174.700 -0.116 0.000 1.019 326 T CA -0.178 61.889 62.100 -0.055 0.000 0.921 326 T CB 0.001 68.847 68.868 -0.037 0.000 1.053 326 T HN 0.395 nan 8.240 nan 0.000 0.533 327 I N -0.113 120.363 120.570 -0.158 0.000 2.729 327 I HA 0.402 4.572 4.170 -0.000 0.000 0.256 327 I C 0.101 175.843 176.117 -0.625 0.000 1.115 327 I CA -0.007 61.055 61.300 -0.396 0.000 1.446 327 I CB -0.614 37.120 38.000 -0.443 0.000 1.176 327 I HN 0.205 nan 8.210 nan 0.000 0.446 328 F N 2.301 122.214 119.950 -0.062 0.000 2.507 328 F HA 0.244 4.771 4.527 -0.000 0.000 0.325 328 F C 1.557 177.280 175.800 -0.129 0.000 1.116 328 F CA -0.791 57.161 58.000 -0.079 0.000 0.930 328 F CB 1.264 40.224 39.000 -0.067 0.000 1.146 328 F HN 0.006 nan 8.300 nan 0.000 0.447 329 E N 1.205 121.446 120.200 0.068 0.000 2.472 329 E HA -0.193 4.157 4.350 -0.000 0.000 0.200 329 E C -0.230 176.334 176.600 -0.059 0.000 1.046 329 E CA 0.927 57.314 56.400 -0.022 0.000 0.871 329 E CB 0.018 29.715 29.700 -0.005 0.000 0.806 329 E HN 0.662 nan 8.360 nan 0.000 0.533 330 N N 0.289 118.966 118.700 -0.039 0.000 2.673 330 N HA 0.096 4.836 4.740 -0.000 0.000 0.265 330 N C -0.796 174.673 175.510 -0.068 0.000 1.709 330 N CA -0.184 52.827 53.050 -0.064 0.000 0.792 330 N CB 0.541 39.017 38.487 -0.018 0.000 1.286 330 N HN -0.030 nan 8.380 nan 0.000 0.506 331 R N 1.187 121.589 120.500 -0.163 0.000 2.865 331 R HA 0.284 4.624 4.340 -0.000 0.000 0.370 331 R C -0.543 175.850 176.300 0.154 0.000 1.168 331 R CA -0.161 55.918 56.100 -0.035 0.000 1.058 331 R CB -0.073 30.230 30.300 0.005 0.000 1.419 331 R HN 0.266 nan 8.270 nan 0.000 0.580 332 F N -0.280 119.718 119.950 0.079 0.000 2.775 332 F HA 0.162 4.689 4.527 -0.000 0.000 0.313 332 F C 1.318 176.984 175.800 -0.223 0.000 1.121 332 F CA -0.485 57.451 58.000 -0.107 0.000 1.206 332 F CB 0.701 39.640 39.000 -0.101 0.000 1.052 332 F HN 0.085 nan 8.300 nan 0.000 0.524 333 M N 0.233 119.917 119.600 0.140 0.000 2.358 333 M HA -0.192 4.288 4.480 -0.000 0.000 0.264 333 M C 2.375 178.692 176.300 0.029 0.000 1.064 333 M CA 1.363 56.700 55.300 0.061 0.000 1.093 333 M CB -0.559 32.072 32.600 0.052 0.000 1.401 333 M HN 0.319 nan 8.290 nan 0.000 0.440 334 H N -1.254 117.840 119.070 0.041 0.000 2.470 334 H HA 0.061 4.617 4.556 -0.000 0.000 0.289 334 H C 2.045 177.374 175.328 0.002 0.000 1.033 334 H CA 0.947 57.001 56.048 0.009 0.000 1.331 334 H CB -1.173 28.599 29.762 0.016 0.000 1.414 334 H HN 0.217 nan 8.280 nan 0.000 0.545 335 V N 2.487 122.107 119.914 -0.490 0.000 2.255 335 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 335 V C -0.258 175.748 176.094 -0.148 0.000 1.051 335 V CA 2.356 64.465 62.300 -0.319 0.000 1.018 335 V CB -1.389 30.202 31.823 -0.387 0.000 0.641 335 V HN 0.406 nan 8.190 nan 0.000 0.445 336 P HA -0.113 nan 4.420 nan 0.000 0.218 336 P C 1.564 178.835 177.300 -0.049 0.000 1.148 336 P CA 1.135 64.195 63.100 -0.066 0.000 0.822 336 P CB -0.010 31.664 31.700 -0.043 0.000 0.784 337 E N -0.420 119.759 120.200 -0.034 0.000 2.072 337 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 337 E C 2.114 178.703 176.600 -0.018 0.000 0.985 337 E CA 0.952 57.342 56.400 -0.016 0.000 0.801 337 E CB -0.954 28.747 29.700 0.003 0.000 0.750 337 E HN 0.314 nan 8.360 nan 0.000 0.452 338 L N 0.561 121.774 121.223 -0.016 0.000 2.141 338 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 338 L C 2.471 179.314 176.870 -0.045 0.000 1.094 338 L CA 0.594 55.425 54.840 -0.016 0.000 0.763 338 L CB -0.329 41.732 42.059 0.003 0.000 0.908 338 L HN 0.073 nan 8.230 nan 0.000 0.437 339 I N -0.492 120.037 120.570 -0.068 0.000 2.361 339 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 339 I C 2.613 178.676 176.117 -0.090 0.000 1.133 339 I CA 1.087 62.325 61.300 -0.103 0.000 1.413 339 I CB -0.245 37.691 38.000 -0.107 0.000 1.073 339 I HN 0.209 nan 8.210 nan 0.000 0.424 340 R N 0.256 120.721 120.500 -0.057 0.000 2.152 340 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 340 R C 1.816 178.094 176.300 -0.036 0.000 1.117 340 R CA 1.078 57.153 56.100 -0.042 0.000 0.981 340 R CB -0.108 30.176 30.300 -0.026 0.000 0.870 340 R HN 0.354 nan 8.270 nan 0.000 0.451 341 M N -0.715 118.864 119.600 -0.034 0.000 2.505 341 M HA 0.151 4.631 4.480 -0.000 0.000 0.230 341 M C 0.656 176.940 176.300 -0.027 0.000 1.153 341 M CA 0.416 55.703 55.300 -0.022 0.000 0.997 341 M CB 1.203 33.797 32.600 -0.011 0.000 1.606 341 M HN 0.412 nan 8.290 nan 0.000 0.481 342 G N 0.325 109.091 108.800 -0.057 0.000 2.176 342 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.232 342 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.232 342 G C 0.220 175.058 174.900 -0.103 0.000 0.986 342 G CA -0.042 45.016 45.100 -0.070 0.000 0.643 342 G HN 0.659 nan 8.290 nan 0.000 0.522 343 A N -0.328 122.434 122.820 -0.097 0.000 2.346 343 A HA 0.667 4.987 4.320 -0.000 0.000 0.252 343 A C -0.008 177.456 177.584 -0.199 0.000 1.089 343 A CA 0.275 52.279 52.037 -0.056 0.000 0.797 343 A CB 0.300 19.281 19.000 -0.031 0.000 1.047 343 A HN 0.700 nan 8.150 nan 0.000 0.494 344 H N -0.708 118.380 119.070 0.029 0.000 2.589 344 H HA 0.659 5.215 4.556 -0.000 0.000 0.335 344 H C -0.048 175.325 175.328 0.076 0.000 1.019 344 H CA 0.839 56.929 56.048 0.070 0.000 1.213 344 H CB 1.682 31.511 29.762 0.111 0.000 1.472 344 H HN 1.008 nan 8.280 nan 0.000 0.508 345 A N 2.728 125.617 122.820 0.115 0.000 2.608 345 A HA 0.643 4.962 4.320 -0.000 0.000 0.292 345 A C -1.433 176.147 177.584 -0.008 0.000 1.066 345 A CA -0.937 51.100 52.037 0.001 0.000 0.676 345 A CB 1.488 20.419 19.000 -0.116 0.000 1.277 345 A HN 0.584 nan 8.150 nan 0.000 0.413 346 E N 0.166 120.336 120.200 -0.051 0.000 2.293 346 E HA 0.667 5.017 4.350 -0.000 0.000 0.270 346 E C -1.215 175.326 176.600 -0.098 0.000 0.879 346 E CA -0.267 56.112 56.400 -0.035 0.000 0.756 346 E CB 2.215 31.933 29.700 0.030 0.000 1.208 346 E HN 0.530 nan 8.360 nan 0.000 0.428 347 I N 2.272 122.796 120.570 -0.076 0.000 2.354 347 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 347 I C -0.424 175.700 176.117 0.012 0.000 0.989 347 I CA -0.639 60.620 61.300 -0.067 0.000 1.188 347 I CB 1.151 39.140 38.000 -0.019 0.000 1.342 347 I HN 0.243 nan 8.210 nan 0.000 0.457 348 E N 5.208 125.430 120.200 0.036 0.000 2.267 348 E HA 0.327 4.677 4.350 -0.000 0.000 0.248 348 E C -0.017 176.633 176.600 0.084 0.000 0.899 348 E CA -0.092 56.337 56.400 0.049 0.000 0.764 348 E CB 1.719 31.437 29.700 0.029 0.000 1.227 348 E HN 0.736 nan 8.360 nan 0.000 0.421 349 S N 3.810 119.562 115.700 0.087 0.000 4.116 349 S HA -0.288 4.182 4.470 -0.000 0.000 0.623 349 S C 0.648 175.336 174.600 0.147 0.000 1.933 349 S CA 1.756 60.008 58.200 0.087 0.000 4.224 349 S CB -1.065 62.169 63.200 0.057 0.000 0.208 349 S HN 0.730 nan 8.310 nan 0.000 0.527 350 N N 2.281 121.056 118.700 0.126 0.000 2.327 350 N HA 0.233 4.973 4.740 -0.000 0.000 0.231 350 N C -0.114 175.596 175.510 0.333 0.000 1.130 350 N CA 0.859 53.995 53.050 0.143 0.000 0.845 350 N CB 0.161 38.653 38.487 0.009 0.000 1.073 350 N HN 0.893 nan 8.380 nan 0.000 0.496 351 T N -2.018 112.766 114.554 0.384 0.000 2.933 351 T HA 0.509 4.859 4.350 -0.000 0.000 0.305 351 T C -0.930 173.775 174.700 0.009 0.000 1.092 351 T CA -0.674 61.586 62.100 0.267 0.000 1.008 351 T CB 1.668 70.599 68.868 0.105 0.000 1.102 351 T HN -0.027 nan 8.240 nan 0.000 0.469 352 V N 3.187 122.945 119.914 -0.261 0.000 2.398 352 V HA 0.595 4.715 4.120 -0.000 0.000 0.286 352 V C -0.082 175.861 176.094 -0.251 0.000 1.026 352 V CA -1.144 60.902 62.300 -0.423 0.000 0.868 352 V CB 1.064 32.468 31.823 -0.698 0.000 0.982 352 V HN 0.809 nan 8.190 nan 0.000 0.443 353 I N 3.382 123.818 120.570 -0.224 0.000 2.312 353 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 353 I C 0.129 175.998 176.117 -0.414 0.000 1.031 353 I CA -0.013 61.132 61.300 -0.258 0.000 1.293 353 I CB 0.746 38.636 38.000 -0.184 0.000 1.403 353 I HN 0.654 nan 8.210 nan 0.000 0.484 354 C N 6.291 125.349 119.300 -0.402 0.000 2.341 354 C HA 0.433 4.893 4.460 -0.000 0.000 0.338 354 C C 0.364 175.077 174.990 -0.462 0.000 1.257 354 C CA -0.547 58.256 59.018 -0.358 0.000 1.883 354 C CB 0.373 28.013 27.740 -0.167 0.000 2.334 354 C HN 0.609 nan 8.230 nan 0.000 0.524 355 H N 1.553 120.634 119.070 0.018 0.000 2.645 355 H HA 0.280 4.836 4.556 -0.000 0.000 0.257 355 H C 0.639 175.984 175.328 0.029 0.000 1.269 355 H CA -0.049 56.007 56.048 0.015 0.000 1.409 355 H CB 0.783 30.551 29.762 0.011 0.000 1.434 355 H HN 0.948 nan 8.280 nan 0.000 0.505 356 G N 1.713 110.565 108.800 0.087 0.000 2.464 356 G HA2 0.248 4.208 3.960 -0.000 0.000 0.231 356 G HA3 0.248 4.208 3.960 -0.000 0.000 0.231 356 G C 0.466 175.408 174.900 0.069 0.000 1.267 356 G CA 0.029 45.167 45.100 0.065 0.000 0.863 356 G HN 0.431 nan 8.290 nan 0.000 0.559 357 V N -0.101 119.855 119.914 0.070 0.000 3.074 357 V HA 0.662 4.782 4.120 -0.000 0.000 0.314 357 V C 1.080 177.198 176.094 0.041 0.000 1.117 357 V CA -0.484 61.854 62.300 0.063 0.000 1.014 357 V CB 1.911 33.803 31.823 0.115 0.000 1.057 357 V HN 0.716 nan 8.190 nan 0.000 0.438 358 E N 1.989 122.208 120.200 0.031 0.000 2.012 358 E HA -0.049 4.301 4.350 -0.000 0.000 0.197 358 E C 0.486 177.099 176.600 0.022 0.000 1.007 358 E CA 1.902 58.315 56.400 0.022 0.000 0.816 358 E CB 0.066 29.776 29.700 0.017 0.000 0.762 358 E HN 0.753 nan 8.360 nan 0.000 0.451 359 K N -0.282 120.133 120.400 0.026 0.000 2.422 359 K HA 0.384 4.704 4.320 -0.000 0.000 0.251 359 K C -0.862 175.754 176.600 0.026 0.000 0.933 359 K CA -0.685 55.615 56.287 0.021 0.000 0.798 359 K CB 2.006 34.515 32.500 0.016 0.000 1.238 359 K HN 0.062 nan 8.250 nan 0.000 0.428 360 L N 1.108 122.342 121.223 0.018 0.000 2.399 360 L HA 0.366 4.706 4.340 -0.000 0.000 0.265 360 L C 0.038 176.914 176.870 0.010 0.000 1.089 360 L CA -0.542 54.307 54.840 0.015 0.000 0.802 360 L CB 1.643 43.708 42.059 0.009 0.000 1.180 360 L HN 0.545 nan 8.230 nan 0.000 0.454 361 S N 0.163 115.867 115.700 0.007 0.000 2.451 361 S HA 0.466 4.935 4.470 -0.000 0.000 0.301 361 S C 0.235 174.836 174.600 0.003 0.000 1.116 361 S CA -0.712 57.491 58.200 0.005 0.000 1.093 361 S CB 1.649 64.852 63.200 0.005 0.000 1.017 361 S HN 0.773 nan 8.310 nan 0.000 0.482 362 G N 1.484 110.287 108.800 0.004 0.000 2.491 362 G HA2 0.511 4.471 3.960 -0.000 0.000 0.238 362 G HA3 0.511 4.471 3.960 -0.000 0.000 0.238 362 G C -0.201 174.702 174.900 0.004 0.000 1.277 362 G CA 0.152 45.255 45.100 0.005 0.000 0.851 362 G HN 1.032 nan 8.290 nan 0.000 0.573 363 A N 1.526 124.349 122.820 0.006 0.000 2.540 363 A HA 0.646 4.966 4.320 -0.000 0.000 0.291 363 A C -0.704 176.885 177.584 0.008 0.000 1.083 363 A CA -0.778 51.262 52.037 0.005 0.000 0.650 363 A CB 0.765 19.764 19.000 -0.001 0.000 1.292 363 A HN 0.648 nan 8.150 nan 0.000 0.435 364 Q N 0.569 120.373 119.800 0.008 0.000 2.314 364 Q HA 0.492 4.832 4.340 -0.000 0.000 0.257 364 Q C -0.117 175.887 176.000 0.007 0.000 0.975 364 Q CA -0.469 55.341 55.803 0.011 0.000 0.933 364 Q CB 1.294 30.040 28.738 0.012 0.000 1.195 364 Q HN 0.913 nan 8.270 nan 0.000 0.426 365 V N -0.110 119.809 119.914 0.008 0.000 3.113 365 V HA 0.703 4.823 4.120 -0.000 0.000 0.316 365 V C -0.667 175.427 176.094 0.000 0.000 1.125 365 V CA -1.296 61.006 62.300 0.003 0.000 1.026 365 V CB 2.223 34.047 31.823 0.002 0.000 1.080 365 V HN 0.824 nan 8.190 nan 0.000 0.444 366 M N 2.672 122.269 119.600 -0.004 0.000 2.190 366 M HA 0.792 5.272 4.480 -0.000 0.000 0.312 366 M C -0.102 176.180 176.300 -0.030 0.000 0.990 366 M CA -0.622 54.672 55.300 -0.010 0.000 0.927 366 M CB 1.479 34.081 32.600 0.004 0.000 1.571 366 M HN 1.210 nan 8.290 nan 0.000 0.427 367 A N 2.858 125.646 122.820 -0.053 0.000 2.477 367 A HA 0.426 4.746 4.320 -0.000 0.000 0.246 367 A C 0.838 178.319 177.584 -0.171 0.000 1.078 367 A CA 0.242 52.212 52.037 -0.111 0.000 0.770 367 A CB -0.043 18.883 19.000 -0.123 0.000 1.011 367 A HN 0.958 nan 8.150 nan 0.000 0.494 368 T N -1.555 112.820 114.554 -0.297 0.000 2.959 368 T HA 0.368 4.718 4.350 -0.000 0.000 0.254 368 T C 0.008 174.285 174.700 -0.705 0.000 1.003 368 T CA 0.642 62.534 62.100 -0.347 0.000 0.950 368 T CB -0.409 68.377 68.868 -0.136 0.000 1.090 368 T HN 0.876 nan 8.240 nan 0.000 0.503 369 D N -0.825 119.107 120.400 -0.780 0.000 2.692 369 D HA 0.379 5.019 4.640 -0.000 0.000 0.290 369 D C 0.675 176.748 176.300 -0.377 0.000 1.281 369 D CA -0.930 52.687 54.000 -0.639 0.000 0.804 369 D CB 0.639 41.264 40.800 -0.291 0.000 1.331 369 D HN -0.104 nan 8.370 nan 0.000 0.432 370 L N 0.488 121.621 121.223 -0.149 0.000 1.956 370 L HA -0.097 4.243 4.340 -0.000 0.000 0.216 370 L C 1.977 178.859 176.870 0.021 0.000 1.073 370 L CA 1.901 56.740 54.840 -0.002 0.000 0.762 370 L CB -0.690 41.394 42.059 0.041 0.000 0.889 370 L HN 0.485 nan 8.230 nan 0.000 0.433 371 R N 0.004 120.503 120.500 -0.002 0.000 2.148 371 R HA 0.051 4.391 4.340 -0.000 0.000 0.227 371 R C 2.166 178.410 176.300 -0.092 0.000 1.103 371 R CA 1.161 57.266 56.100 0.007 0.000 0.983 371 R CB -1.484 28.814 30.300 -0.003 0.000 0.874 371 R HN 0.583 nan 8.270 nan 0.000 0.451 372 A N 1.401 124.142 122.820 -0.132 0.000 1.898 372 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 372 A C 2.377 179.892 177.584 -0.114 0.000 1.181 372 A CA 1.929 53.885 52.037 -0.135 0.000 0.620 372 A CB -0.612 18.347 19.000 -0.068 0.000 0.819 372 A HN 0.446 nan 8.150 nan 0.000 0.442 373 S N 0.501 116.118 115.700 -0.138 0.000 2.359 373 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 373 S C 2.123 176.635 174.600 -0.147 0.000 1.035 373 S CA 1.606 59.724 58.200 -0.137 0.000 1.018 373 S CB -0.835 62.278 63.200 -0.145 0.000 0.876 373 S HN 0.975 nan 8.310 nan 0.000 0.448 374 A N 1.596 124.297 122.820 -0.198 0.000 1.933 374 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 374 A C 2.475 179.938 177.584 -0.203 0.000 1.175 374 A CA 1.874 53.719 52.037 -0.321 0.000 0.628 374 A CB -1.221 17.455 19.000 -0.541 0.000 0.814 374 A HN 0.581 nan 8.150 nan 0.000 0.444 375 S N -0.070 115.544 115.700 -0.143 0.000 2.368 375 S HA -0.072 4.398 4.470 -0.000 0.000 0.225 375 S C 1.782 176.346 174.600 -0.060 0.000 1.030 375 S CA 1.403 59.543 58.200 -0.100 0.000 0.999 375 S CB -0.425 62.712 63.200 -0.105 0.000 0.844 375 S HN 0.525 nan 8.310 nan 0.000 0.459 376 L N 0.979 122.173 121.223 -0.048 0.000 2.141 376 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 376 L C 2.245 179.108 176.870 -0.012 0.000 1.094 376 L CA 0.679 55.508 54.840 -0.019 0.000 0.763 376 L CB -0.594 41.455 42.059 -0.016 0.000 0.908 376 L HN 0.207 nan 8.230 nan 0.000 0.437 377 V N 0.105 120.006 119.914 -0.022 0.000 2.379 377 V HA -0.244 3.875 4.120 -0.000 0.000 0.245 377 V C 2.374 178.457 176.094 -0.018 0.000 1.044 377 V CA 1.397 63.709 62.300 0.019 0.000 1.036 377 V CB -0.226 31.631 31.823 0.058 0.000 0.664 377 V HN 0.340 nan 8.190 nan 0.000 0.453 378 L N 0.068 121.256 121.223 -0.058 0.000 2.083 378 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 378 L C 2.735 179.586 176.870 -0.032 0.000 1.083 378 L CA 1.460 56.266 54.840 -0.057 0.000 0.752 378 L CB -0.821 41.187 42.059 -0.086 0.000 0.899 378 L HN 0.370 nan 8.230 nan 0.000 0.433 379 A N 0.492 123.298 122.820 -0.025 0.000 1.902 379 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 379 A C 2.409 179.990 177.584 -0.005 0.000 1.181 379 A CA 1.780 53.810 52.037 -0.011 0.000 0.623 379 A CB -1.217 17.781 19.000 -0.003 0.000 0.818 379 A HN 0.443 nan 8.150 nan 0.000 0.443 380 G N -1.025 107.775 108.800 -0.001 0.000 2.422 380 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 380 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 380 G C 1.537 176.435 174.900 -0.003 0.000 1.146 380 G CA 1.277 46.379 45.100 0.004 0.000 0.769 380 G HN 0.529 nan 8.290 nan 0.000 0.547 381 C N 0.734 120.029 119.300 -0.009 0.000 2.425 381 C HA 0.020 4.480 4.460 -0.000 0.000 0.277 381 C C 2.630 177.615 174.990 -0.008 0.000 1.280 381 C CA 0.915 59.926 59.018 -0.011 0.000 1.744 381 C CB -0.889 26.844 27.740 -0.013 0.000 1.989 381 C HN 0.663 nan 8.230 nan 0.000 0.491 382 I N -1.142 119.424 120.570 -0.007 0.000 3.968 382 I HA 0.382 4.552 4.170 -0.000 0.000 0.328 382 I C 1.042 177.158 176.117 -0.001 0.000 1.290 382 I CA -0.117 61.180 61.300 -0.005 0.000 1.163 382 I CB -0.386 37.609 38.000 -0.007 0.000 1.024 382 I HN 0.068 nan 8.210 nan 0.000 0.413 383 A N 1.780 124.599 122.820 -0.001 0.000 2.346 383 A HA 0.280 4.600 4.320 -0.000 0.000 0.252 383 A C -0.025 177.560 177.584 0.003 0.000 1.089 383 A CA -0.159 51.879 52.037 0.002 0.000 0.797 383 A CB 0.282 19.283 19.000 0.003 0.000 1.047 383 A HN 0.427 nan 8.150 nan 0.000 0.494 384 E N 0.071 120.274 120.200 0.005 0.000 2.001 384 E HA 0.486 4.836 4.350 -0.000 0.000 0.279 384 E C 0.526 177.128 176.600 0.004 0.000 1.045 384 E CA 1.198 57.601 56.400 0.004 0.000 0.833 384 E CB -0.255 29.449 29.700 0.006 0.000 1.077 384 E HN 1.446 nan 8.360 nan 0.000 0.397 385 G N 2.682 111.484 108.800 0.003 0.000 2.297 385 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.209 385 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.209 385 G C -0.675 174.227 174.900 0.003 0.000 1.267 385 G CA -0.428 44.674 45.100 0.003 0.000 1.127 385 G HN 0.453 nan 8.290 nan 0.000 0.498 386 T N 1.438 115.995 114.554 0.005 0.000 2.767 386 T HA 0.675 5.025 4.350 -0.000 0.000 0.284 386 T C -0.177 174.529 174.700 0.011 0.000 0.973 386 T CA 0.236 62.340 62.100 0.007 0.000 0.996 386 T CB 1.441 70.314 68.868 0.008 0.000 0.927 386 T HN 0.697 nan 8.240 nan 0.000 0.456 387 T N 2.694 117.256 114.554 0.015 0.000 2.829 387 T HA 0.565 4.915 4.350 -0.000 0.000 0.280 387 T C -0.520 174.201 174.700 0.035 0.000 0.999 387 T CA -0.550 61.562 62.100 0.021 0.000 0.983 387 T CB 1.351 70.231 68.868 0.019 0.000 0.968 387 T HN 0.320 nan 8.240 nan 0.000 0.446 388 V N 3.583 123.518 119.914 0.036 0.000 2.376 388 V HA 0.357 4.477 4.120 -0.000 0.000 0.287 388 V C -0.277 175.844 176.094 0.046 0.000 1.015 388 V CA -0.801 61.529 62.300 0.050 0.000 0.834 388 V CB 1.635 33.482 31.823 0.040 0.000 1.001 388 V HN 0.730 nan 8.190 nan 0.000 0.428 389 V N 3.917 123.871 119.914 0.066 0.000 2.334 389 V HA 0.283 4.402 4.120 -0.000 0.000 0.267 389 V C 0.115 176.207 176.094 -0.003 0.000 1.040 389 V CA -0.356 61.962 62.300 0.028 0.000 0.866 389 V CB 1.263 33.107 31.823 0.034 0.000 1.019 389 V HN 0.896 nan 8.190 nan 0.000 0.468 390 D N 3.826 124.222 120.400 -0.008 0.000 2.339 390 D HA 0.342 4.982 4.640 -0.000 0.000 0.245 390 D C 0.767 177.039 176.300 -0.046 0.000 1.115 390 D CA -0.150 53.844 54.000 -0.010 0.000 0.917 390 D CB 0.476 41.283 40.800 0.013 0.000 1.192 390 D HN 0.489 nan 8.370 nan 0.000 0.428 391 R N 1.374 121.852 120.500 -0.037 0.000 3.423 391 R HA -0.183 4.157 4.340 -0.000 0.000 0.271 391 R C 0.896 176.993 176.300 -0.337 0.000 1.093 391 R CA 0.562 56.596 56.100 -0.110 0.000 0.730 391 R CB -2.069 28.175 30.300 -0.093 0.000 1.190 391 R HN 0.482 nan 8.270 nan 0.000 0.437 392 I N -2.119 118.274 120.570 -0.296 0.000 3.334 392 I HA -0.130 4.040 4.170 -0.000 0.000 0.282 392 I C 1.973 177.871 176.117 -0.365 0.000 1.313 392 I CA 0.652 61.688 61.300 -0.441 0.000 1.396 392 I CB -0.913 36.554 38.000 -0.888 0.000 1.054 392 I HN 0.336 nan 8.210 nan 0.000 0.495 393 Y N 0.083 120.257 120.300 -0.210 0.000 2.256 393 Y HA -0.247 4.303 4.550 -0.000 0.000 0.288 393 Y C 2.381 178.193 175.900 -0.146 0.000 1.155 393 Y CA 1.486 59.475 58.100 -0.186 0.000 1.203 393 Y CB -1.708 36.628 38.460 -0.207 0.000 0.980 393 Y HN 0.215 nan 8.280 nan 0.000 0.530 394 H N 0.525 119.241 119.070 -0.590 0.000 2.353 394 H HA -0.191 4.365 4.556 -0.000 0.000 0.298 394 H C 2.379 177.640 175.328 -0.110 0.000 1.103 394 H CA 2.049 57.897 56.048 -0.334 0.000 1.293 394 H CB -0.383 29.119 29.762 -0.432 0.000 1.372 394 H HN 0.505 nan 8.280 nan 0.000 0.501 395 I N 1.088 121.647 120.570 -0.018 0.000 2.454 395 I HA -0.208 3.961 4.170 -0.000 0.000 0.254 395 I C 1.251 177.449 176.117 0.134 0.000 1.156 395 I CA 1.066 62.391 61.300 0.042 0.000 1.433 395 I CB 0.007 37.940 38.000 -0.112 0.000 1.082 395 I HN 0.089 nan 8.210 nan 0.000 0.432 396 D N 0.473 120.918 120.400 0.074 0.000 2.348 396 D HA -0.101 4.539 4.640 -0.000 0.000 0.216 396 D C 2.071 178.438 176.300 0.111 0.000 0.970 396 D CA 0.413 54.476 54.000 0.105 0.000 0.889 396 D CB -0.094 40.754 40.800 0.079 0.000 0.912 396 D HN 0.295 nan 8.370 nan 0.000 0.524 397 R N 0.051 120.621 120.500 0.116 0.000 2.090 397 R HA 0.020 4.359 4.340 -0.000 0.000 0.228 397 R C 1.868 178.208 176.300 0.067 0.000 1.110 397 R CA 1.064 57.220 56.100 0.093 0.000 0.973 397 R CB -0.313 30.049 30.300 0.103 0.000 0.869 397 R HN 0.194 nan 8.270 nan 0.000 0.440 398 G N -1.603 107.243 108.800 0.077 0.000 3.528 398 G HA2 0.122 4.082 3.960 -0.000 0.000 0.266 398 G HA3 0.122 4.082 3.960 -0.000 0.000 0.266 398 G C -0.566 174.190 174.900 -0.241 0.000 1.004 398 G CA -0.149 44.908 45.100 -0.073 0.000 0.853 398 G HN 0.076 nan 8.290 nan 0.000 0.501 399 Y N 0.639 120.968 120.300 0.048 0.000 2.326 399 Y HA 0.402 4.952 4.550 -0.000 0.000 0.329 399 Y C -0.045 175.911 175.900 0.094 0.000 0.973 399 Y CA -1.293 56.850 58.100 0.072 0.000 1.162 399 Y CB 1.741 40.239 38.460 0.063 0.000 1.147 399 Y HN 0.074 nan 8.280 nan 0.000 0.456 400 E N 5.111 125.436 120.200 0.210 0.000 2.217 400 E HA 0.196 4.546 4.350 -0.000 0.000 0.279 400 E C -0.130 176.587 176.600 0.195 0.000 1.068 400 E CA -0.551 55.947 56.400 0.163 0.000 0.882 400 E CB 0.330 30.094 29.700 0.107 0.000 1.039 400 E HN 0.717 nan 8.360 nan 0.000 0.418 401 R N 3.380 123.984 120.500 0.174 0.000 3.038 401 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 401 R C 0.403 176.824 176.300 0.201 0.000 0.866 401 R CA 0.736 56.934 56.100 0.164 0.000 0.601 401 R CB -2.203 28.164 30.300 0.111 0.000 1.107 401 R HN 0.781 nan 8.270 nan 0.000 0.492 402 I N 0.167 120.891 120.570 0.256 0.000 2.493 402 I HA -0.230 3.940 4.170 -0.000 0.000 0.254 402 I C 2.465 178.692 176.117 0.182 0.000 1.160 402 I CA 1.746 63.212 61.300 0.277 0.000 1.445 402 I CB -0.022 38.086 38.000 0.180 0.000 1.086 402 I HN 0.684 nan 8.210 nan 0.000 0.433 403 E N 0.822 121.099 120.200 0.128 0.000 2.038 403 E HA -0.290 4.060 4.350 -0.000 0.000 0.195 403 E C 1.611 178.196 176.600 -0.024 0.000 1.000 403 E CA 1.988 58.356 56.400 -0.053 0.000 0.803 403 E CB 0.020 29.669 29.700 -0.085 0.000 0.750 403 E HN 0.481 nan 8.360 nan 0.000 0.448 404 D N 0.392 120.807 120.400 0.026 0.000 2.097 404 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 404 D C 1.902 178.212 176.300 0.017 0.000 0.984 404 D CA 1.100 55.109 54.000 0.014 0.000 0.826 404 D CB -0.161 40.655 40.800 0.026 0.000 0.973 404 D HN 0.188 nan 8.370 nan 0.000 0.460 405 K N 0.288 120.720 120.400 0.052 0.000 2.063 405 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 405 K C 2.327 178.950 176.600 0.038 0.000 1.048 405 K CA 0.600 56.889 56.287 0.003 0.000 0.928 405 K CB -0.152 32.350 32.500 0.004 0.000 0.713 405 K HN 0.151 nan 8.250 nan 0.000 0.442 406 L N 0.451 121.757 121.223 0.139 0.000 2.093 406 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 406 L C 2.748 179.636 176.870 0.030 0.000 1.085 406 L CA 0.983 55.901 54.840 0.130 0.000 0.755 406 L CB -0.303 41.812 42.059 0.093 0.000 0.904 406 L HN 0.188 nan 8.230 nan 0.000 0.435 407 R N 0.487 120.982 120.500 -0.008 0.000 2.073 407 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 407 R C 2.172 178.459 176.300 -0.022 0.000 1.134 407 R CA 1.472 57.555 56.100 -0.030 0.000 0.952 407 R CB -0.268 30.006 30.300 -0.043 0.000 0.850 407 R HN 0.320 nan 8.270 nan 0.000 0.433 408 A N 0.309 123.114 122.820 -0.025 0.000 2.225 408 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 408 A C 1.667 179.230 177.584 -0.035 0.000 1.164 408 A CA 0.893 52.909 52.037 -0.034 0.000 0.710 408 A CB -0.197 18.774 19.000 -0.049 0.000 0.780 408 A HN 0.375 nan 8.150 nan 0.000 0.473 409 L N -2.121 119.090 121.223 -0.020 0.000 2.693 409 L HA 0.319 4.659 4.340 -0.000 0.000 0.235 409 L C 1.443 178.311 176.870 -0.003 0.000 1.127 409 L CA 0.533 55.367 54.840 -0.010 0.000 0.914 409 L CB 0.381 42.452 42.059 0.019 0.000 1.193 409 L HN 0.500 nan 8.230 nan 0.000 0.502 410 G N 0.043 108.837 108.800 -0.009 0.000 2.168 410 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.197 410 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.197 410 G C 0.327 175.219 174.900 -0.013 0.000 0.997 410 G CA -0.141 44.953 45.100 -0.011 0.000 0.658 410 G HN 0.394 nan 8.290 nan 0.000 0.513 411 A N 0.025 122.837 122.820 -0.014 0.000 2.371 411 A HA 0.615 4.935 4.320 -0.000 0.000 0.257 411 A C 0.476 178.035 177.584 -0.042 0.000 1.089 411 A CA 0.103 52.125 52.037 -0.025 0.000 0.794 411 A CB 0.440 19.424 19.000 -0.026 0.000 1.029 411 A HN 0.485 nan 8.150 nan 0.000 0.488 412 N N 1.919 120.592 118.700 -0.044 0.000 2.817 412 N HA 0.364 5.104 4.740 -0.000 0.000 0.234 412 N C -1.357 174.108 175.510 -0.075 0.000 1.066 412 N CA -0.035 52.986 53.050 -0.050 0.000 0.926 412 N CB 0.297 38.765 38.487 -0.033 0.000 1.176 412 N HN 0.666 nan 8.380 nan 0.000 0.506 413 I N 1.003 121.504 120.570 -0.115 0.000 2.730 413 I HA 0.443 4.613 4.170 -0.000 0.000 0.298 413 I C -1.235 174.755 176.117 -0.212 0.000 1.089 413 I CA -0.705 60.480 61.300 -0.193 0.000 1.041 413 I CB 2.167 39.986 38.000 -0.301 0.000 1.235 413 I HN 0.360 nan 8.210 nan 0.000 0.423 414 E N 7.190 127.262 120.200 -0.213 0.000 2.290 414 E HA 0.336 4.686 4.350 -0.000 0.000 0.274 414 E C -1.500 175.053 176.600 -0.078 0.000 0.889 414 E CA -0.922 55.396 56.400 -0.137 0.000 0.760 414 E CB 1.783 31.453 29.700 -0.050 0.000 1.206 414 E HN 0.633 nan 8.360 nan 0.000 0.419 415 R N 3.978 124.477 120.500 -0.000 0.000 2.216 415 R HA 0.300 4.640 4.340 -0.000 0.000 0.332 415 R C -1.200 175.202 176.300 0.170 0.000 1.056 415 R CA -0.359 55.899 56.100 0.264 0.000 0.901 415 R CB 0.909 31.431 30.300 0.369 0.000 1.039 415 R HN 0.319 nan 8.270 nan 0.000 0.456 416 V N 7.050 127.068 119.914 0.174 0.000 2.304 416 V HA 0.149 4.269 4.120 -0.000 0.000 0.269 416 V C 0.344 176.489 176.094 0.086 0.000 1.036 416 V CA -0.644 61.717 62.300 0.102 0.000 0.840 416 V CB 0.770 32.643 31.823 0.083 0.000 1.036 416 V HN 0.738 nan 8.190 nan 0.000 0.466 417 K N 2.684 123.126 120.400 0.071 0.000 2.159 417 K HA 0.172 4.492 4.320 -0.000 0.000 0.242 417 K C 1.441 178.065 176.600 0.039 0.000 1.043 417 K CA 0.559 56.878 56.287 0.053 0.000 0.856 417 K CB 0.029 32.556 32.500 0.044 0.000 1.072 417 K HN 0.961 nan 8.250 nan 0.000 0.514 418 G N 1.577 110.394 108.800 0.029 0.000 2.416 418 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.301 418 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.301 418 G C 0.118 175.032 174.900 0.024 0.000 0.985 418 G CA 1.569 46.682 45.100 0.021 0.000 0.934 418 G HN 0.764 nan 8.290 nan 0.000 0.513 419 E N 0.000 120.218 120.200 0.030 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.419 56.400 0.032 0.000 0.976 419 E CB 0.000 29.716 29.700 0.027 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440