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 1eyn_1_A 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 AFPTDMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.016 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 D N 3.991 124.371 120.400 -0.033 0.000 2.382 2 D HA 0.520 5.161 4.640 0.000 0.000 0.240 2 D C -0.469 175.750 176.300 -0.136 0.000 1.146 2 D CA 0.484 54.438 54.000 -0.077 0.000 0.897 2 D CB 0.823 41.559 40.800 -0.107 0.000 1.197 2 D HN 0.529 nan 8.370 nan 0.000 0.432 3 K N 0.468 120.778 120.400 -0.149 0.000 2.480 3 K HA 0.498 4.818 4.320 0.000 0.000 0.258 3 K C -0.898 175.624 176.600 -0.129 0.000 0.990 3 K CA -0.749 55.441 56.287 -0.161 0.000 0.857 3 K CB 1.884 34.362 32.500 -0.036 0.000 1.384 3 K HN 0.263 nan 8.250 nan 0.000 0.446 4 F N 1.103 121.060 119.950 0.011 0.000 2.436 4 F HA 0.418 4.945 4.527 0.000 0.000 0.340 4 F C 0.311 176.112 175.800 0.003 0.000 1.113 4 F CA -0.959 57.044 58.000 0.004 0.000 1.022 4 F CB 1.837 40.833 39.000 -0.007 0.000 1.128 4 F HN 0.253 nan 8.300 nan 0.000 0.466 5 R N 3.373 124.001 120.500 0.213 0.000 2.255 5 R HA 0.651 4.991 4.340 0.000 0.000 0.326 5 R C -1.881 174.464 176.300 0.075 0.000 0.986 5 R CA -0.359 55.807 56.100 0.111 0.000 0.847 5 R CB 1.141 31.487 30.300 0.077 0.000 1.111 5 R HN 0.515 nan 8.270 nan 0.000 0.452 6 V N 4.407 124.352 119.914 0.051 0.000 2.604 6 V HA 0.382 4.502 4.120 0.000 0.000 0.305 6 V C -0.549 175.551 176.094 0.010 0.000 1.043 6 V CA -0.899 61.410 62.300 0.015 0.000 0.888 6 V CB 1.912 33.737 31.823 0.003 0.000 0.995 6 V HN 0.732 nan 8.190 nan 0.000 0.429 7 Q N 2.475 122.274 119.800 -0.001 0.000 2.333 7 Q HA 0.642 4.982 4.340 0.000 0.000 0.268 7 Q C 0.006 176.002 176.000 -0.007 0.000 1.007 7 Q CA -0.213 55.590 55.803 -0.001 0.000 0.810 7 Q CB 2.631 31.369 28.738 -0.000 0.000 1.264 7 Q HN 0.978 nan 8.270 nan 0.000 0.452 8 G N 2.623 111.420 108.800 -0.006 0.000 2.816 8 G HA2 0.736 4.696 3.960 0.000 0.000 0.288 8 G HA3 0.736 4.696 3.960 0.000 0.000 0.288 8 G C -2.790 172.105 174.900 -0.008 0.000 1.334 8 G CA -1.278 43.816 45.100 -0.010 0.000 0.978 8 G HN 0.303 nan 8.290 nan 0.000 0.493 9 P HA 0.363 nan 4.420 nan 0.000 0.286 9 P C -0.726 176.567 177.300 -0.012 0.000 1.261 9 P CA -0.136 62.957 63.100 -0.012 0.000 0.821 9 P CB 1.693 33.386 31.700 -0.011 0.000 1.013 10 T N -0.618 113.927 114.554 -0.014 0.000 2.921 10 T HA 0.414 4.765 4.350 0.000 0.000 0.297 10 T C -0.262 174.429 174.700 -0.013 0.000 1.013 10 T CA -1.026 61.066 62.100 -0.014 0.000 0.990 10 T CB 1.515 70.373 68.868 -0.016 0.000 1.023 10 T HN 0.393 nan 8.240 nan 0.000 0.447 11 R N 3.005 123.499 120.500 -0.012 0.000 2.316 11 R HA 0.421 4.761 4.340 0.000 0.000 0.314 11 R C -0.629 175.665 176.300 -0.010 0.000 1.069 11 R CA -0.601 55.492 56.100 -0.011 0.000 0.959 11 R CB 0.127 30.421 30.300 -0.010 0.000 0.987 11 R HN 0.683 nan 8.270 nan 0.000 0.446 12 L N 6.355 127.574 121.223 -0.006 0.000 2.260 12 L HA 0.274 4.614 4.340 0.000 0.000 0.289 12 L C 0.003 176.873 176.870 0.001 0.000 1.057 12 L CA -0.241 54.601 54.840 0.003 0.000 0.811 12 L CB 1.074 43.145 42.059 0.019 0.000 1.184 12 L HN 0.681 nan 8.230 nan 0.000 0.429 13 Q N 2.874 122.670 119.800 -0.006 0.000 2.416 13 Q HA 0.870 5.210 4.340 0.000 0.000 0.281 13 Q C -0.344 175.642 176.000 -0.023 0.000 1.067 13 Q CA -0.590 55.204 55.803 -0.015 0.000 0.809 13 Q CB 3.231 31.956 28.738 -0.022 0.000 1.418 13 Q HN 0.676 nan 8.270 nan 0.000 0.411 14 G N 1.214 109.996 108.800 -0.030 0.000 2.233 14 G HA2 0.039 3.999 3.960 0.000 0.000 0.162 14 G HA3 0.039 3.999 3.960 0.000 0.000 0.162 14 G C -1.570 173.299 174.900 -0.051 0.000 1.327 14 G CA -0.484 44.590 45.100 -0.043 0.000 1.187 14 G HN 0.655 nan 8.290 nan 0.000 0.479 15 E N -1.380 118.778 120.200 -0.071 0.000 2.393 15 E HA 0.637 4.988 4.350 0.000 0.000 0.273 15 E C -1.521 174.996 176.600 -0.139 0.000 0.918 15 E CA -0.851 55.499 56.400 -0.083 0.000 0.773 15 E CB 3.187 32.841 29.700 -0.076 0.000 1.275 15 E HN 0.846 nan 8.360 nan 0.000 0.451 16 V N 0.805 120.619 119.914 -0.168 0.000 2.888 16 V HA 0.435 4.555 4.120 0.000 0.000 0.309 16 V C -1.344 174.645 176.094 -0.175 0.000 1.114 16 V CA -0.261 61.867 62.300 -0.287 0.000 0.940 16 V CB 2.450 33.891 31.823 -0.636 0.000 1.021 16 V HN 0.732 nan 8.190 nan 0.000 0.426 17 T N 7.423 121.884 114.554 -0.154 0.000 2.756 17 T HA 0.519 4.870 4.350 0.000 0.000 0.290 17 T C -0.192 174.476 174.700 -0.054 0.000 0.985 17 T CA -0.252 61.805 62.100 -0.072 0.000 0.955 17 T CB 0.581 69.421 68.868 -0.048 0.000 0.930 17 T HN 0.452 nan 8.240 nan 0.000 0.451 18 I N 3.249 123.814 120.570 -0.008 0.000 2.556 18 I HA 0.142 4.312 4.170 0.000 0.000 0.284 18 I C 1.165 177.298 176.117 0.027 0.000 1.114 18 I CA 0.029 61.350 61.300 0.036 0.000 1.418 18 I CB 0.370 38.406 38.000 0.060 0.000 1.394 18 I HN 0.556 nan 8.210 nan 0.000 0.552 19 S N 4.200 119.925 115.700 0.041 0.000 2.614 19 S HA 0.433 4.903 4.470 0.000 0.000 0.265 19 S C 0.699 175.302 174.600 0.004 0.000 1.303 19 S CA -0.577 57.636 58.200 0.021 0.000 1.000 19 S CB 1.174 64.394 63.200 0.033 0.000 0.935 19 S HN 0.848 nan 8.310 nan 0.000 0.551 20 G N 0.170 108.964 108.800 -0.011 0.000 2.544 20 G HA2 0.449 4.409 3.960 0.000 0.000 0.242 20 G HA3 0.449 4.409 3.960 0.000 0.000 0.242 20 G C -0.149 174.738 174.900 -0.022 0.000 1.247 20 G CA -0.445 44.642 45.100 -0.021 0.000 0.840 20 G HN 0.899 nan 8.290 nan 0.000 0.578 21 A N 1.318 124.124 122.820 -0.023 0.000 2.396 21 A HA 0.298 4.618 4.320 0.000 0.000 0.279 21 A C 1.549 179.123 177.584 -0.017 0.000 1.165 21 A CA -0.121 51.900 52.037 -0.026 0.000 0.824 21 A CB 0.358 19.344 19.000 -0.023 0.000 1.100 21 A HN 0.871 nan 8.150 nan 0.000 0.516 22 K N 2.465 122.855 120.400 -0.017 0.000 2.103 22 K HA -0.179 4.142 4.320 0.000 0.000 0.207 22 K C 0.747 177.374 176.600 0.045 0.000 1.048 22 K CA 1.865 58.157 56.287 0.009 0.000 0.930 22 K CB -0.057 32.447 32.500 0.007 0.000 0.716 22 K HN 0.747 nan 8.250 nan 0.000 0.444 23 N N 0.128 118.854 118.700 0.043 0.000 2.550 23 N HA -0.063 4.677 4.740 0.000 0.000 0.186 23 N C 0.996 176.552 175.510 0.077 0.000 1.110 23 N CA 0.917 54.024 53.050 0.096 0.000 0.912 23 N CB 0.341 38.875 38.487 0.079 0.000 0.968 23 N HN 0.321 nan 8.380 nan 0.000 0.448 24 A N 0.133 122.964 122.820 0.019 0.000 1.993 24 A HA 0.421 4.741 4.320 0.000 0.000 0.207 24 A C 2.197 179.745 177.584 -0.059 0.000 1.224 24 A CA 0.725 52.748 52.037 -0.025 0.000 0.749 24 A CB -0.382 18.607 19.000 -0.018 0.000 0.884 24 A HN 0.179 nan 8.150 nan 0.000 0.467 25 A N 0.344 123.140 122.820 -0.040 0.000 1.940 25 A HA -0.055 4.266 4.320 0.000 0.000 0.219 25 A C 2.112 179.660 177.584 -0.061 0.000 1.176 25 A CA 1.501 53.490 52.037 -0.080 0.000 0.631 25 A CB -0.639 18.325 19.000 -0.060 0.000 0.814 25 A HN 0.457 nan 8.150 nan 0.000 0.446 26 L N -0.100 121.158 121.223 0.059 0.000 1.994 26 L HA -0.113 4.227 4.340 0.000 0.000 0.208 26 L C -0.189 176.803 176.870 0.203 0.000 1.071 26 L CA 1.770 56.742 54.840 0.221 0.000 0.745 26 L CB -1.484 40.849 42.059 0.456 0.000 0.892 26 L HN 0.294 nan 8.230 nan 0.000 0.431 27 P HA -0.174 nan 4.420 nan 0.000 0.218 27 P C 1.816 178.953 177.300 -0.272 0.000 1.149 27 P CA 1.605 64.399 63.100 -0.510 0.000 0.817 27 P CB 0.061 31.234 31.700 -0.879 0.000 0.785 28 I N -0.636 119.761 120.570 -0.288 0.000 2.252 28 I HA -0.207 3.963 4.170 0.000 0.000 0.245 28 I C 2.647 178.510 176.117 -0.424 0.000 1.102 28 I CA 1.111 62.112 61.300 -0.498 0.000 1.385 28 I CB -0.582 36.979 38.000 -0.732 0.000 1.064 28 I HN -0.162 nan 8.210 nan 0.000 0.414 29 L N -0.483 120.562 121.223 -0.296 0.000 2.042 29 L HA -0.230 4.111 4.340 0.000 0.000 0.210 29 L C 2.418 179.136 176.870 -0.253 0.000 1.076 29 L CA 1.599 56.267 54.840 -0.286 0.000 0.749 29 L CB -0.545 41.321 42.059 -0.322 0.000 0.893 29 L HN 0.142 nan 8.230 nan 0.000 0.432 30 F N -0.453 119.484 119.950 -0.021 0.000 2.206 30 F HA -0.137 4.390 4.527 0.000 0.000 0.298 30 F C 2.559 178.384 175.800 0.043 0.000 1.090 30 F CA 0.952 58.980 58.000 0.047 0.000 1.323 30 F CB -0.503 38.565 39.000 0.114 0.000 1.028 30 F HN -0.001 nan 8.300 nan 0.000 0.492 31 A N 0.032 122.946 122.820 0.156 0.000 2.015 31 A HA -0.033 4.288 4.320 0.000 0.000 0.219 31 A C 2.317 180.054 177.584 0.254 0.000 1.163 31 A CA 1.322 53.468 52.037 0.180 0.000 0.646 31 A CB -1.108 18.018 19.000 0.211 0.000 0.806 31 A HN 0.289 nan 8.150 nan 0.000 0.448 32 A N -0.188 122.777 122.820 0.242 0.000 2.125 32 A HA -0.011 4.309 4.320 0.000 0.000 0.219 32 A C 1.945 179.629 177.584 0.168 0.000 1.156 32 A CA 1.193 53.379 52.037 0.248 0.000 0.671 32 A CB -0.598 18.488 19.000 0.144 0.000 0.794 32 A HN 0.501 nan 8.150 nan 0.000 0.459 33 L N -0.814 120.509 121.223 0.167 0.000 2.261 33 L HA -0.166 4.174 4.340 0.000 0.000 0.216 33 L C 2.082 179.066 176.870 0.190 0.000 1.114 33 L CA 0.743 55.706 54.840 0.204 0.000 0.777 33 L CB -0.381 41.837 42.059 0.264 0.000 0.910 33 L HN 0.418 nan 8.230 nan 0.000 0.440 34 L N -0.535 120.764 121.223 0.126 0.000 2.395 34 L HA 0.077 4.417 4.340 0.000 0.000 0.218 34 L C 1.343 178.219 176.870 0.010 0.000 1.130 34 L CA -0.351 54.513 54.840 0.041 0.000 0.826 34 L CB -0.368 41.696 42.059 0.010 0.000 0.941 34 L HN 0.127 nan 8.230 nan 0.000 0.451 35 A N 0.309 123.158 122.820 0.049 0.000 2.409 35 A HA 0.128 4.448 4.320 0.000 0.000 0.267 35 A C 0.985 178.593 177.584 0.041 0.000 1.127 35 A CA -0.255 51.798 52.037 0.026 0.000 0.795 35 A CB 0.246 19.280 19.000 0.057 0.000 1.061 35 A HN 0.295 nan 8.150 nan 0.000 0.502 36 E N 1.402 121.610 120.200 0.014 0.000 2.385 36 E HA -0.024 4.327 4.350 0.000 0.000 0.194 36 E C 0.053 176.678 176.600 0.041 0.000 1.013 36 E CA 0.620 57.037 56.400 0.028 0.000 0.866 36 E CB 0.333 30.035 29.700 0.003 0.000 0.832 36 E HN 0.841 nan 8.360 nan 0.000 0.500 37 E N 0.513 120.734 120.200 0.036 0.000 2.299 37 E HA 0.301 4.651 4.350 0.000 0.000 0.260 37 E C -2.624 174.017 176.600 0.068 0.000 0.944 37 E CA -2.476 53.952 56.400 0.046 0.000 0.815 37 E CB 1.369 31.087 29.700 0.031 0.000 1.252 37 E HN -0.158 nan 8.360 nan 0.000 0.418 38 P HA 0.000 nan 4.420 nan 0.000 0.267 38 P C -1.121 176.257 177.300 0.131 0.000 1.200 38 P CA 0.130 63.299 63.100 0.115 0.000 0.772 38 P CB 0.484 32.257 31.700 0.121 0.000 0.855 39 V N 2.428 122.438 119.914 0.161 0.000 2.709 39 V HA 0.344 4.465 4.120 0.000 0.000 0.308 39 V C -0.133 176.043 176.094 0.136 0.000 1.062 39 V CA -0.526 61.874 62.300 0.167 0.000 0.901 39 V CB 1.926 33.875 31.823 0.210 0.000 1.003 39 V HN 0.503 nan 8.190 nan 0.000 0.425 40 E N 4.536 124.779 120.200 0.073 0.000 2.155 40 E HA 0.474 4.824 4.350 0.000 0.000 0.264 40 E C -1.482 175.022 176.600 -0.159 0.000 0.886 40 E CA -0.678 55.608 56.400 -0.189 0.000 0.752 40 E CB 1.262 30.850 29.700 -0.186 0.000 1.133 40 E HN 0.481 nan 8.360 nan 0.000 0.414 41 I N 4.463 124.872 120.570 -0.267 0.000 2.330 41 I HA 0.205 4.375 4.170 0.000 0.000 0.289 41 I C 0.263 176.219 176.117 -0.268 0.000 1.001 41 I CA -0.437 60.749 61.300 -0.190 0.000 1.193 41 I CB 1.049 38.911 38.000 -0.230 0.000 1.345 41 I HN 0.610 nan 8.210 nan 0.000 0.461 42 Q N 3.870 123.555 119.800 -0.192 0.000 2.193 42 Q HA 0.307 4.647 4.340 0.000 0.000 0.246 42 Q C 0.331 176.243 176.000 -0.147 0.000 0.959 42 Q CA -0.660 55.021 55.803 -0.203 0.000 0.904 42 Q CB 0.928 29.570 28.738 -0.161 0.000 1.238 42 Q HN 0.541 nan 8.270 nan 0.000 0.469 43 N N -0.477 118.146 118.700 -0.128 0.000 2.758 43 N HA -0.160 4.580 4.740 0.000 0.000 0.248 43 N C -1.788 173.675 175.510 -0.078 0.000 1.076 43 N CA 0.229 53.227 53.050 -0.087 0.000 0.696 43 N CB -0.901 37.540 38.487 -0.076 0.000 0.979 43 N HN 0.314 nan 8.380 nan 0.000 0.550 44 V N 1.804 121.662 119.914 -0.095 0.000 2.432 44 V HA 0.447 4.567 4.120 0.000 0.000 0.275 44 V C -1.376 174.691 176.094 -0.046 0.000 1.043 44 V CA -1.119 61.134 62.300 -0.079 0.000 0.925 44 V CB 1.337 33.096 31.823 -0.106 0.000 0.985 44 V HN 0.220 nan 8.190 nan 0.000 0.466 45 P HA 0.180 nan 4.420 nan 0.000 0.272 45 P C -0.837 176.465 177.300 0.003 0.000 1.230 45 P CA -0.495 62.602 63.100 -0.005 0.000 0.788 45 P CB 0.893 32.593 31.700 0.001 0.000 0.949 46 K N 2.124 122.535 120.400 0.019 0.000 2.244 46 K HA 0.447 4.767 4.320 0.000 0.000 0.263 46 K C -0.322 176.301 176.600 0.039 0.000 1.103 46 K CA -0.212 56.091 56.287 0.027 0.000 0.966 46 K CB -0.003 32.517 32.500 0.033 0.000 1.429 46 K HN 0.419 nan 8.250 nan 0.000 0.434 47 L N 1.175 122.418 121.223 0.034 0.000 2.393 47 L HA 0.332 4.672 4.340 0.000 0.000 0.260 47 L C 1.370 178.264 176.870 0.040 0.000 1.002 47 L CA -0.908 53.959 54.840 0.044 0.000 0.818 47 L CB 1.854 43.938 42.059 0.042 0.000 1.369 47 L HN 0.359 nan 8.230 nan 0.000 0.412 48 K N 0.490 120.918 120.400 0.047 0.000 2.044 48 K HA -0.212 4.108 4.320 0.000 0.000 0.210 48 K C 1.015 177.638 176.600 0.039 0.000 1.049 48 K CA 2.178 58.489 56.287 0.040 0.000 0.927 48 K CB 0.142 32.668 32.500 0.044 0.000 0.713 48 K HN 0.642 nan 8.250 nan 0.000 0.443 49 D N 0.521 120.950 120.400 0.049 0.000 2.218 49 D HA -0.144 4.496 4.640 0.000 0.000 0.204 49 D C 1.814 178.148 176.300 0.056 0.000 0.976 49 D CA 0.733 54.770 54.000 0.061 0.000 0.853 49 D CB -0.015 40.832 40.800 0.078 0.000 0.939 49 D HN 0.226 nan 8.370 nan 0.000 0.481 50 I N 1.337 121.928 120.570 0.035 0.000 2.252 50 I HA -0.186 3.984 4.170 0.000 0.000 0.245 50 I C 1.737 177.853 176.117 -0.001 0.000 1.102 50 I CA 1.129 62.434 61.300 0.009 0.000 1.385 50 I CB -0.912 37.087 38.000 -0.002 0.000 1.064 50 I HN -0.062 nan 8.210 nan 0.000 0.414 51 D N 0.649 121.056 120.400 0.011 0.000 2.117 51 D HA -0.135 4.505 4.640 0.000 0.000 0.197 51 D C 2.186 178.491 176.300 0.009 0.000 0.987 51 D CA 1.600 55.606 54.000 0.009 0.000 0.829 51 D CB -0.327 40.482 40.800 0.015 0.000 0.961 51 D HN 0.254 nan 8.370 nan 0.000 0.460 52 T N 0.226 114.793 114.554 0.021 0.000 2.720 52 T HA -0.121 4.229 4.350 0.000 0.000 0.268 52 T C 2.013 176.734 174.700 0.035 0.000 1.037 52 T CA 1.682 63.800 62.100 0.030 0.000 1.144 52 T CB -0.485 68.408 68.868 0.042 0.000 0.864 52 T HN 0.151 nan 8.240 nan 0.000 0.444 53 T N 1.942 116.510 114.554 0.023 0.000 2.746 53 T HA 0.028 4.378 4.350 0.000 0.000 0.267 53 T C 2.049 176.679 174.700 -0.118 0.000 1.039 53 T CA 1.068 63.131 62.100 -0.063 0.000 1.142 53 T CB -0.326 68.451 68.868 -0.150 0.000 0.866 53 T HN 0.304 nan 8.240 nan 0.000 0.444 54 M N 0.421 119.976 119.600 -0.075 0.000 2.159 54 M HA -0.065 4.415 4.480 0.000 0.000 0.263 54 M C 2.302 178.583 176.300 -0.030 0.000 1.063 54 M CA 1.559 56.823 55.300 -0.060 0.000 1.110 54 M CB -0.240 32.343 32.600 -0.027 0.000 1.374 54 M HN 0.103 nan 8.290 nan 0.000 0.411 55 K N 0.326 120.720 120.400 -0.011 0.000 2.097 55 K HA -0.115 4.205 4.320 0.000 0.000 0.205 55 K C 1.913 178.520 176.600 0.011 0.000 1.050 55 K CA 1.054 57.343 56.287 0.003 0.000 0.938 55 K CB -0.239 32.267 32.500 0.009 0.000 0.718 55 K HN 0.328 nan 8.250 nan 0.000 0.442 56 L N 1.144 122.381 121.223 0.022 0.000 2.027 56 L HA -0.174 4.166 4.340 0.000 0.000 0.206 56 L C 2.012 178.904 176.870 0.038 0.000 1.074 56 L CA 1.195 56.070 54.840 0.058 0.000 0.745 56 L CB -0.135 42.006 42.059 0.137 0.000 0.898 56 L HN 0.181 nan 8.230 nan 0.000 0.433 57 L N -0.549 120.664 121.223 -0.017 0.000 2.042 57 L HA -0.246 4.095 4.340 0.000 0.000 0.210 57 L C 2.531 179.397 176.870 -0.006 0.000 1.076 57 L CA 1.930 56.756 54.840 -0.023 0.000 0.749 57 L CB -1.012 40.999 42.059 -0.081 0.000 0.893 57 L HN 0.297 nan 8.230 nan 0.000 0.432 58 T N -1.220 113.328 114.554 -0.009 0.000 2.720 58 T HA -0.287 4.063 4.350 0.000 0.000 0.268 58 T C 1.810 176.500 174.700 -0.016 0.000 1.037 58 T CA 1.634 63.730 62.100 -0.008 0.000 1.144 58 T CB -0.191 68.675 68.868 -0.003 0.000 0.864 58 T HN 0.240 nan 8.240 nan 0.000 0.444 59 Q N 0.947 120.742 119.800 -0.009 0.000 2.181 59 Q HA 0.017 4.357 4.340 0.000 0.000 0.205 59 Q C 1.792 177.760 176.000 -0.053 0.000 0.980 59 Q CA 1.363 57.156 55.803 -0.018 0.000 0.862 59 Q CB -0.663 28.081 28.738 0.009 0.000 0.905 59 Q HN 0.541 nan 8.270 nan 0.000 0.429 60 L N -1.510 119.684 121.223 -0.049 0.000 2.599 60 L HA 0.232 4.572 4.340 0.000 0.000 0.230 60 L C 1.227 178.000 176.870 -0.161 0.000 1.141 60 L CA 0.511 55.283 54.840 -0.113 0.000 0.877 60 L CB -0.183 41.854 42.059 -0.036 0.000 1.009 60 L HN 0.516 nan 8.230 nan 0.000 0.447 61 G N -0.496 108.245 108.800 -0.098 0.000 2.179 61 G HA2 -0.217 3.743 3.960 0.000 0.000 0.220 61 G HA3 -0.217 3.743 3.960 0.000 0.000 0.220 61 G C 0.276 175.159 174.900 -0.029 0.000 0.990 61 G CA -0.008 45.040 45.100 -0.088 0.000 0.646 61 G HN 0.242 nan 8.290 nan 0.000 0.517 62 T N 1.626 116.177 114.554 -0.006 0.000 2.907 62 T HA 0.478 4.828 4.350 0.000 0.000 0.298 62 T C 0.329 175.042 174.700 0.022 0.000 1.017 62 T CA 0.109 62.224 62.100 0.025 0.000 1.118 62 T CB 1.462 70.348 68.868 0.030 0.000 0.948 62 T HN 0.266 nan 8.240 nan 0.000 0.531 63 K N 2.215 122.638 120.400 0.037 0.000 2.234 63 K HA 0.574 4.894 4.320 0.000 0.000 0.277 63 K C -0.979 175.654 176.600 0.055 0.000 1.038 63 K CA -0.559 55.750 56.287 0.037 0.000 0.888 63 K CB 1.240 33.762 32.500 0.036 0.000 1.091 63 K HN 0.283 nan 8.250 nan 0.000 0.467 64 V N 2.924 122.869 119.914 0.051 0.000 2.789 64 V HA 0.423 4.543 4.120 0.000 0.000 0.311 64 V C -0.552 175.597 176.094 0.091 0.000 1.073 64 V CA -0.895 61.450 62.300 0.074 0.000 0.921 64 V CB 2.172 34.018 31.823 0.037 0.000 1.009 64 V HN 0.705 nan 8.190 nan 0.000 0.426 65 E N 2.848 123.145 120.200 0.163 0.000 2.390 65 E HA 0.682 5.032 4.350 0.000 0.000 0.277 65 E C -1.084 175.715 176.600 0.332 0.000 0.939 65 E CA -0.854 55.657 56.400 0.185 0.000 0.769 65 E CB 3.580 33.356 29.700 0.127 0.000 1.251 65 E HN 0.864 nan 8.360 nan 0.000 0.450 66 R N -0.393 120.278 120.500 0.285 0.000 2.752 66 R HA 0.413 4.753 4.340 0.000 0.000 0.271 66 R C -0.227 176.260 176.300 0.311 0.000 1.026 66 R CA -0.590 55.705 56.100 0.325 0.000 0.901 66 R CB 0.728 31.104 30.300 0.127 0.000 1.243 66 R HN 0.369 nan 8.270 nan 0.000 0.463 67 D N 0.981 121.567 120.400 0.311 0.000 1.992 67 D HA 0.041 4.681 4.640 0.000 0.000 0.280 67 D C 1.366 177.736 176.300 0.116 0.000 1.060 67 D CA 1.076 55.211 54.000 0.224 0.000 0.877 67 D CB -1.008 39.929 40.800 0.227 0.000 1.010 67 D HN 0.628 nan 8.370 nan 0.000 0.385 68 G N -1.073 107.753 108.800 0.042 0.000 2.744 68 G HA2 0.169 4.129 3.960 0.000 0.000 0.211 68 G HA3 0.169 4.129 3.960 0.000 0.000 0.211 68 G C 0.489 175.301 174.900 -0.147 0.000 1.146 68 G CA 0.184 45.263 45.100 -0.035 0.000 0.787 68 G HN 0.361 nan 8.290 nan 0.000 0.534 69 S N -1.099 114.416 115.700 -0.308 0.000 2.718 69 S HA 0.651 5.121 4.470 0.000 0.000 0.300 69 S C -0.771 173.465 174.600 -0.607 0.000 1.117 69 S CA -0.483 57.339 58.200 -0.631 0.000 1.002 69 S CB 2.408 64.849 63.200 -1.266 0.000 1.092 69 S HN -0.059 nan 8.310 nan 0.000 0.542 70 V N 1.889 121.471 119.914 -0.552 0.000 2.444 70 V HA 0.382 4.502 4.120 0.000 0.000 0.294 70 V C -0.987 174.922 176.094 -0.308 0.000 1.022 70 V CA -0.597 61.550 62.300 -0.254 0.000 0.850 70 V CB 1.157 32.893 31.823 -0.145 0.000 0.992 70 V HN 0.765 nan 8.190 nan 0.000 0.426 71 W N 5.313 126.614 121.300 0.001 0.000 2.469 71 W HA 0.630 5.290 4.660 0.001 0.000 0.320 71 W C -0.768 175.758 176.519 0.011 0.000 1.086 71 W CA -0.617 56.737 57.345 0.014 0.000 1.211 71 W CB 1.838 31.308 29.460 0.016 0.000 1.298 71 W HN 0.278 nan 8.180 nan 0.000 0.525 72 I N 2.706 123.408 120.570 0.220 0.000 2.582 72 I HA 0.123 4.294 4.170 0.000 0.000 0.292 72 I C -0.780 175.420 176.117 0.138 0.000 1.066 72 I CA -0.606 60.778 61.300 0.140 0.000 1.053 72 I CB 1.959 40.012 38.000 0.088 0.000 1.241 72 I HN 0.299 nan 8.210 nan 0.000 0.421 73 D N 4.903 125.368 120.400 0.109 0.000 2.440 73 D HA 0.547 5.188 4.640 0.000 0.000 0.252 73 D C 0.037 176.391 176.300 0.090 0.000 1.180 73 D CA -0.322 53.735 54.000 0.096 0.000 0.894 73 D CB 1.644 42.492 40.800 0.080 0.000 1.111 73 D HN 0.593 nan 8.370 nan 0.000 0.544 74 A N 2.644 125.528 122.820 0.106 0.000 2.423 74 A HA 0.156 4.476 4.320 0.000 0.000 0.246 74 A C 1.822 179.500 177.584 0.156 0.000 1.278 74 A CA 0.445 52.560 52.037 0.131 0.000 0.903 74 A CB -0.295 18.798 19.000 0.155 0.000 0.997 74 A HN 0.510 nan 8.150 nan 0.000 0.510 75 S N 0.508 116.280 115.700 0.120 0.000 2.400 75 S HA -0.190 4.280 4.470 0.000 0.000 0.232 75 S C 0.856 175.547 174.600 0.150 0.000 1.025 75 S CA 1.697 59.970 58.200 0.121 0.000 0.993 75 S CB -0.562 62.688 63.200 0.083 0.000 0.808 75 S HN 0.655 nan 8.310 nan 0.000 0.478 76 N N 0.756 119.528 118.700 0.121 0.000 2.389 76 N HA 0.361 5.101 4.740 0.000 0.000 0.260 76 N C -1.153 174.391 175.510 0.058 0.000 1.191 76 N CA -0.243 52.866 53.050 0.099 0.000 0.885 76 N CB 1.159 39.679 38.487 0.055 0.000 1.162 76 N HN 0.102 nan 8.380 nan 0.000 0.512 77 V N 2.524 122.502 119.914 0.107 0.000 2.617 77 V HA -0.061 4.059 4.120 0.000 0.000 0.304 77 V C 0.821 176.772 176.094 -0.238 0.000 1.040 77 V CA 0.663 62.940 62.300 -0.039 0.000 1.149 77 V CB 0.403 32.281 31.823 0.091 0.000 0.914 77 V HN 0.636 nan 8.190 nan 0.000 0.487 78 N N 2.282 120.708 118.700 -0.457 0.000 2.081 78 N HA 0.096 4.836 4.740 0.000 0.000 0.230 78 N C -0.416 174.461 175.510 -1.055 0.000 1.351 78 N CA -0.372 52.328 53.050 -0.583 0.000 0.840 78 N CB 0.193 38.536 38.487 -0.239 0.000 1.189 78 N HN 0.591 nan 8.380 nan 0.000 0.503 79 N N 0.281 118.230 118.700 -1.251 0.000 2.371 79 N HA 0.352 5.092 4.740 0.000 0.000 0.291 79 N C -1.748 173.157 175.510 -1.008 0.000 1.053 79 N CA -0.600 51.868 53.050 -0.969 0.000 0.870 79 N CB 0.744 38.980 38.487 -0.419 0.000 1.503 79 N HN 0.007 nan 8.380 nan 0.000 0.485 80 F N 0.884 120.761 119.950 -0.123 0.000 2.850 80 F HA 0.414 4.941 4.527 0.000 0.000 0.306 80 F C 0.761 176.542 175.800 -0.033 0.000 1.162 80 F CA -0.582 57.361 58.000 -0.094 0.000 1.327 80 F CB 0.333 39.262 39.000 -0.119 0.000 0.953 80 F HN 0.326 nan 8.300 nan 0.000 0.507 81 S N 1.195 116.917 115.700 0.037 0.000 2.647 81 S HA 0.800 5.270 4.470 0.000 0.000 0.300 81 S C -0.559 174.124 174.600 0.137 0.000 1.129 81 S CA -0.492 57.753 58.200 0.075 0.000 1.029 81 S CB 0.938 64.123 63.200 -0.025 0.000 1.007 81 S HN 0.232 nan 8.310 nan 0.000 0.484 82 A N 6.945 129.894 122.820 0.214 0.000 2.316 82 A HA 0.671 4.991 4.320 0.000 0.000 0.311 82 A C -2.456 175.269 177.584 0.234 0.000 1.339 82 A CA -1.521 50.629 52.037 0.189 0.000 0.960 82 A CB 0.048 19.149 19.000 0.169 0.000 1.152 82 A HN 0.656 nan 8.150 nan 0.000 0.547 83 P HA 0.067 nan 4.420 nan 0.000 0.279 83 P C 0.435 177.786 177.300 0.085 0.000 1.252 83 P CA -0.296 62.910 63.100 0.176 0.000 0.811 83 P CB 0.746 32.548 31.700 0.170 0.000 1.035 84 Y N 2.332 122.585 120.300 -0.078 0.000 2.096 84 Y HA -0.323 4.227 4.550 0.000 0.000 0.278 84 Y C 2.134 178.010 175.900 -0.040 0.000 1.192 84 Y CA 2.839 60.883 58.100 -0.092 0.000 1.143 84 Y CB -0.570 37.823 38.460 -0.112 0.000 0.963 84 Y HN 0.429 nan 8.280 nan 0.000 0.505 85 D N -0.443 120.050 120.400 0.155 0.000 2.264 85 D HA -0.184 4.456 4.640 0.000 0.000 0.208 85 D C 1.643 177.925 176.300 -0.030 0.000 0.966 85 D CA 1.447 55.488 54.000 0.068 0.000 0.864 85 D CB -0.519 40.351 40.800 0.116 0.000 0.933 85 D HN 0.530 nan 8.370 nan 0.000 0.499 86 L N 0.640 121.851 121.223 -0.020 0.000 2.554 86 L HA 0.070 4.410 4.340 0.000 0.000 0.225 86 L C 2.278 179.126 176.870 -0.037 0.000 1.104 86 L CA 0.151 54.985 54.840 -0.011 0.000 0.866 86 L CB 0.594 42.671 42.059 0.031 0.000 1.047 86 L HN 0.017 nan 8.230 nan 0.000 0.468 87 V N -2.925 116.925 119.914 -0.105 0.000 3.661 87 V HA 0.005 4.126 4.120 0.000 0.000 0.271 87 V C 2.148 178.112 176.094 -0.217 0.000 1.315 87 V CA 0.312 62.539 62.300 -0.122 0.000 1.072 87 V CB -0.219 31.537 31.823 -0.113 0.000 0.830 87 V HN 0.448 nan 8.190 nan 0.000 0.443 88 K N 2.351 122.534 120.400 -0.361 0.000 2.360 88 K HA -0.125 4.195 4.320 0.000 0.000 0.201 88 K C 1.630 178.100 176.600 -0.217 0.000 1.046 88 K CA 1.944 57.974 56.287 -0.430 0.000 0.940 88 K CB -0.744 31.364 32.500 -0.653 0.000 0.748 88 K HN 0.651 nan 8.250 nan 0.000 0.465 89 T N -2.238 112.232 114.554 -0.139 0.000 3.069 89 T HA 0.246 4.596 4.350 0.000 0.000 0.252 89 T C 0.381 175.050 174.700 -0.053 0.000 1.053 89 T CA -0.567 61.488 62.100 -0.075 0.000 0.964 89 T CB 0.051 68.893 68.868 -0.044 0.000 1.005 89 T HN 0.231 nan 8.240 nan 0.000 0.532 90 M N 1.288 120.845 119.600 -0.070 0.000 2.164 90 M HA 0.450 4.930 4.480 0.000 0.000 0.260 90 M C 0.359 176.595 176.300 -0.105 0.000 0.974 90 M CA -0.656 54.612 55.300 -0.053 0.000 1.020 90 M CB 1.335 33.939 32.600 0.006 0.000 1.903 90 M HN -0.118 nan 8.290 nan 0.000 0.469 91 R N 1.491 121.909 120.500 -0.137 0.000 2.200 91 R HA -0.072 4.268 4.340 0.000 0.000 0.234 91 R C 1.695 177.796 176.300 -0.331 0.000 1.127 91 R CA 1.614 57.590 56.100 -0.207 0.000 0.989 91 R CB -0.077 30.109 30.300 -0.189 0.000 0.869 91 R HN 0.793 nan 8.270 nan 0.000 0.459 92 A N 0.427 123.052 122.820 -0.325 0.000 2.172 92 A HA -0.095 4.225 4.320 0.000 0.000 0.216 92 A C 1.979 179.252 177.584 -0.519 0.000 1.154 92 A CA 1.156 52.874 52.037 -0.532 0.000 0.701 92 A CB -0.226 18.632 19.000 -0.237 0.000 0.789 92 A HN 0.193 nan 8.150 nan 0.000 0.465 93 S N -0.234 115.291 115.700 -0.291 0.000 2.420 93 S HA -0.193 4.278 4.470 0.000 0.000 0.237 93 S C 1.679 176.049 174.600 -0.384 0.000 1.023 93 S CA 1.364 59.421 58.200 -0.238 0.000 0.991 93 S CB -0.437 62.730 63.200 -0.054 0.000 0.792 93 S HN 0.612 nan 8.310 nan 0.000 0.488 94 I N 0.887 121.212 120.570 -0.408 0.000 2.530 94 I HA -0.127 4.043 4.170 0.000 0.000 0.257 94 I C 1.382 177.341 176.117 -0.263 0.000 1.179 94 I CA 0.880 61.967 61.300 -0.355 0.000 1.440 94 I CB -0.369 37.320 38.000 -0.519 0.000 1.087 94 I HN 0.377 nan 8.210 nan 0.000 0.440 95 W N 0.487 121.442 121.300 -0.575 0.000 2.721 95 W HA 0.055 4.715 4.660 0.000 0.000 0.245 95 W C 2.381 178.681 176.519 -0.364 0.000 1.276 95 W CA 0.763 57.804 57.345 -0.506 0.000 1.342 95 W CB -1.178 27.889 29.460 -0.655 0.000 1.135 95 W HN 0.304 nan 8.180 nan 0.000 0.654 96 A N -0.262 122.468 122.820 -0.151 0.000 2.014 96 A HA -0.099 4.221 4.320 0.000 0.000 0.218 96 A C 1.966 179.672 177.584 0.203 0.000 1.163 96 A CA 0.947 53.126 52.037 0.237 0.000 0.652 96 A CB -0.591 18.599 19.000 0.317 0.000 0.808 96 A HN 0.146 nan 8.150 nan 0.000 0.449 97 L N 0.195 121.497 121.223 0.132 0.000 1.994 97 L HA -0.056 4.285 4.340 0.000 0.000 0.208 97 L C 2.465 179.425 176.870 0.151 0.000 1.071 97 L CA 2.408 57.331 54.840 0.137 0.000 0.745 97 L CB -1.154 40.964 42.059 0.099 0.000 0.892 97 L HN 0.309 nan 8.230 nan 0.000 0.431 98 G N -0.745 108.150 108.800 0.158 0.000 2.459 98 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 98 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 98 G C -0.626 174.350 174.900 0.127 0.000 1.183 98 G CA 0.971 46.151 45.100 0.135 0.000 0.776 98 G HN 0.373 nan 8.290 nan 0.000 0.552 99 P HA -0.034 nan 4.420 nan 0.000 0.215 99 P C 2.104 179.526 177.300 0.203 0.000 1.153 99 P CA 0.690 63.886 63.100 0.160 0.000 0.853 99 P CB -0.095 31.731 31.700 0.210 0.000 0.788 100 L N -1.160 120.223 121.223 0.267 0.000 2.017 100 L HA -0.141 4.199 4.340 0.000 0.000 0.208 100 L C 2.466 179.483 176.870 0.246 0.000 1.073 100 L CA 1.373 56.432 54.840 0.365 0.000 0.745 100 L CB -1.199 41.056 42.059 0.327 0.000 0.894 100 L HN -0.102 nan 8.230 nan 0.000 0.432 101 V N -0.190 119.810 119.914 0.143 0.000 2.515 101 V HA -0.202 3.918 4.120 0.000 0.000 0.250 101 V C 2.552 178.666 176.094 0.033 0.000 1.058 101 V CA 1.695 64.039 62.300 0.074 0.000 1.064 101 V CB 0.018 31.875 31.823 0.056 0.000 0.675 101 V HN 0.427 nan 8.190 nan 0.000 0.461 102 A N -0.092 122.748 122.820 0.033 0.000 1.930 102 A HA -0.190 4.130 4.320 0.000 0.000 0.217 102 A C 2.381 179.915 177.584 -0.083 0.000 1.175 102 A CA 1.921 53.948 52.037 -0.017 0.000 0.627 102 A CB -0.498 18.497 19.000 -0.008 0.000 0.815 102 A HN 0.580 nan 8.150 nan 0.000 0.443 103 R N -2.215 118.210 120.500 -0.125 0.000 2.090 103 R HA 0.127 4.467 4.340 0.000 0.000 0.219 103 R C 1.083 177.034 176.300 -0.581 0.000 1.100 103 R CA 1.124 56.992 56.100 -0.387 0.000 0.991 103 R CB -0.105 29.866 30.300 -0.548 0.000 0.893 103 R HN 0.468 nan 8.270 nan 0.000 0.443 104 F N -1.118 118.776 119.950 -0.093 0.000 2.720 104 F HA 0.377 4.904 4.527 0.000 0.000 0.301 104 F C 1.404 177.060 175.800 -0.239 0.000 1.103 104 F CA 0.399 58.265 58.000 -0.222 0.000 1.291 104 F CB 1.380 40.098 39.000 -0.470 0.000 1.086 104 F HN 0.299 nan 8.300 nan 0.000 0.592 105 G N 0.972 109.758 108.800 -0.023 0.000 2.179 105 G HA2 -0.237 3.724 3.960 0.000 0.000 0.260 105 G HA3 -0.237 3.724 3.960 0.000 0.000 0.260 105 G C 0.006 174.877 174.900 -0.048 0.000 0.977 105 G CA 0.329 45.405 45.100 -0.041 0.000 0.641 105 G HN 0.491 nan 8.290 nan 0.000 0.533 106 Q N -1.552 118.210 119.800 -0.064 0.000 2.527 106 Q HA 0.651 4.991 4.340 0.000 0.000 0.280 106 Q C -0.449 175.549 176.000 -0.002 0.000 0.977 106 Q CA -0.603 55.166 55.803 -0.057 0.000 0.837 106 Q CB 1.775 30.447 28.738 -0.111 0.000 1.454 106 Q HN 1.642 nan 8.270 nan 0.000 0.387 107 G N 0.994 109.829 108.800 0.059 0.000 2.519 107 G HA2 0.499 4.459 3.960 0.000 0.000 0.292 107 G HA3 0.499 4.459 3.960 0.000 0.000 0.292 107 G C -2.132 172.827 174.900 0.098 0.000 1.507 107 G CA -0.523 44.656 45.100 0.132 0.000 0.806 107 G HN 0.857 nan 8.290 nan 0.000 0.523 108 Q N -1.150 118.717 119.800 0.112 0.000 2.435 108 Q HA 0.748 5.088 4.340 0.000 0.000 0.282 108 Q C -1.920 174.224 176.000 0.240 0.000 1.020 108 Q CA -1.133 54.742 55.803 0.120 0.000 0.820 108 Q CB 2.641 31.348 28.738 -0.051 0.000 1.436 108 Q HN 0.636 nan 8.270 nan 0.000 0.395 109 V N 1.188 121.289 119.914 0.312 0.000 2.638 109 V HA 0.413 4.533 4.120 0.000 0.000 0.306 109 V C -0.236 175.983 176.094 0.208 0.000 1.052 109 V CA -0.731 61.724 62.300 0.258 0.000 0.885 109 V CB 1.815 33.692 31.823 0.089 0.000 0.999 109 V HN 0.901 nan 8.190 nan 0.000 0.424 110 S N 5.024 120.713 115.700 -0.017 0.000 2.560 110 S HA 0.376 4.847 4.470 0.000 0.000 0.284 110 S C -0.397 174.115 174.600 -0.148 0.000 1.327 110 S CA -0.171 57.810 58.200 -0.364 0.000 1.055 110 S CB 0.037 63.050 63.200 -0.311 0.000 0.868 110 S HN 0.554 nan 8.310 nan 0.000 0.506 111 L N 6.750 127.900 121.223 -0.122 0.000 2.337 111 L HA 0.317 4.657 4.340 0.000 0.000 0.269 111 L C -1.763 175.099 176.870 -0.012 0.000 1.018 111 L CA -1.767 53.035 54.840 -0.064 0.000 0.876 111 L CB 1.410 43.444 42.059 -0.041 0.000 1.236 111 L HN 0.555 nan 8.230 nan 0.000 0.436 112 P HA -0.112 nan 4.420 nan 0.000 0.219 112 P C 1.421 178.756 177.300 0.059 0.000 1.146 112 P CA 0.768 63.918 63.100 0.084 0.000 0.808 112 P CB 0.395 32.056 31.700 -0.065 0.000 0.779 113 G N -1.723 107.081 108.800 0.006 0.000 3.088 113 G HA2 0.403 4.363 3.960 0.000 0.000 0.212 113 G HA3 0.403 4.363 3.960 0.000 0.000 0.212 113 G C 0.627 175.529 174.900 0.004 0.000 1.173 113 G CA 0.294 45.396 45.100 0.003 0.000 0.779 113 G HN 0.536 nan 8.290 nan 0.000 0.540 114 G N -1.599 107.205 108.800 0.006 0.000 2.757 114 G HA2 -0.172 3.788 3.960 0.000 0.000 0.638 114 G HA3 -0.172 3.788 3.960 0.000 0.000 0.638 114 G C 0.296 175.197 174.900 0.001 0.000 1.344 114 G CA -0.285 44.816 45.100 0.002 0.000 0.855 114 G HN 0.627 nan 8.290 nan 0.000 0.537 115 C N 1.357 120.661 119.300 0.006 0.000 2.881 115 C HA 0.723 5.184 4.460 0.000 0.000 0.290 115 C C 1.712 176.710 174.990 0.013 0.000 1.362 115 C CA 0.213 59.239 59.018 0.013 0.000 1.757 115 C CB -1.127 26.627 27.740 0.023 0.000 2.265 115 C HN 1.526 nan 8.230 nan 0.000 0.600 116 A N 1.803 124.628 122.820 0.009 0.000 2.520 116 A HA 0.429 4.749 4.320 0.000 0.000 0.235 116 A C 0.420 178.010 177.584 0.009 0.000 1.065 116 A CA -0.012 52.029 52.037 0.008 0.000 0.764 116 A CB 0.020 19.023 19.000 0.005 0.000 1.002 116 A HN 0.713 nan 8.150 nan 0.000 0.502 117 I N -0.291 120.284 120.570 0.009 0.000 2.813 117 I HA 0.601 4.771 4.170 0.000 0.000 0.287 117 I C 0.567 176.687 176.117 0.006 0.000 1.196 117 I CA 0.505 61.810 61.300 0.009 0.000 1.421 117 I CB 0.215 38.221 38.000 0.009 0.000 1.365 117 I HN 1.134 nan 8.210 nan 0.000 0.591 118 G N 3.172 111.975 108.800 0.006 0.000 2.347 118 G HA2 0.425 4.386 3.960 0.000 0.000 0.321 118 G HA3 0.425 4.386 3.960 0.000 0.000 0.321 118 G C -1.312 173.589 174.900 0.002 0.000 1.412 118 G CA -0.461 44.641 45.100 0.002 0.000 0.990 118 G HN 1.156 nan 8.290 nan 0.000 0.637 119 A N 0.540 123.359 122.820 -0.002 0.000 2.362 119 A HA 0.830 5.150 4.320 0.000 0.000 0.276 119 A C 0.599 178.184 177.584 0.001 0.000 1.153 119 A CA -0.030 52.005 52.037 -0.003 0.000 0.813 119 A CB 0.381 19.375 19.000 -0.011 0.000 1.081 119 A HN 0.741 nan 8.150 nan 0.000 0.507 120 R N 2.170 122.674 120.500 0.007 0.000 2.808 120 R HA 0.343 4.683 4.340 0.000 0.000 0.272 120 R C -2.375 173.939 176.300 0.023 0.000 0.995 120 R CA -1.753 54.352 56.100 0.008 0.000 0.917 120 R CB 0.905 31.206 30.300 0.003 0.000 1.217 120 R HN 0.332 nan 8.270 nan 0.000 0.471 121 P HA -0.180 nan 4.420 nan 0.000 0.216 121 P C 1.422 178.805 177.300 0.138 0.000 1.153 121 P CA 0.890 64.025 63.100 0.057 0.000 0.858 121 P CB 0.293 32.004 31.700 0.018 0.000 0.789 122 V N -0.046 119.899 119.914 0.051 0.000 2.720 122 V HA -0.238 3.882 4.120 0.000 0.000 0.256 122 V C 1.575 177.761 176.094 0.154 0.000 1.082 122 V CA 2.047 64.373 62.300 0.043 0.000 1.101 122 V CB -1.061 30.725 31.823 -0.063 0.000 0.693 122 V HN 0.059 nan 8.190 nan 0.000 0.479 123 D N 0.162 120.630 120.400 0.114 0.000 2.116 123 D HA -0.194 4.446 4.640 0.000 0.000 0.193 123 D C 2.018 178.416 176.300 0.165 0.000 0.998 123 D CA 1.761 55.827 54.000 0.111 0.000 0.836 123 D CB -0.308 40.524 40.800 0.055 0.000 0.951 123 D HN 0.441 nan 8.370 nan 0.000 0.449 124 L N 0.189 121.504 121.223 0.154 0.000 2.201 124 L HA -0.136 4.204 4.340 0.000 0.000 0.212 124 L C 2.399 179.382 176.870 0.189 0.000 1.105 124 L CA 0.846 55.778 54.840 0.152 0.000 0.775 124 L CB -0.361 41.722 42.059 0.040 0.000 0.913 124 L HN 0.230 nan 8.230 nan 0.000 0.440 125 H N -0.325 118.818 119.070 0.121 0.000 2.333 125 H HA -0.096 4.460 4.556 0.001 0.000 0.302 125 H C 2.441 177.833 175.328 0.106 0.000 1.075 125 H CA 1.476 57.590 56.048 0.111 0.000 1.348 125 H CB 0.168 29.974 29.762 0.074 0.000 1.393 125 H HN 0.319 nan 8.280 nan 0.000 0.509 126 I N 0.639 121.356 120.570 0.245 0.000 2.226 126 I HA -0.298 3.872 4.170 0.000 0.000 0.245 126 I C 2.562 178.773 176.117 0.157 0.000 1.100 126 I CA 1.116 62.514 61.300 0.163 0.000 1.374 126 I CB -0.334 37.749 38.000 0.139 0.000 1.057 126 I HN 0.078 nan 8.210 nan 0.000 0.413 127 F N 1.859 121.841 119.950 0.053 0.000 2.065 127 F HA -0.206 4.321 4.527 0.000 0.000 0.298 127 F C 2.293 178.109 175.800 0.027 0.000 1.112 127 F CA 1.907 59.925 58.000 0.031 0.000 1.212 127 F CB -1.048 37.962 39.000 0.018 0.000 0.975 127 F HN 0.003 nan 8.300 nan 0.000 0.476 128 G N 0.792 109.529 108.800 -0.104 0.000 2.421 128 G HA2 -0.216 3.744 3.960 0.000 0.000 0.216 128 G HA3 -0.216 3.744 3.960 0.000 0.000 0.216 128 G C 1.811 176.610 174.900 -0.170 0.000 1.171 128 G CA 1.095 46.054 45.100 -0.235 0.000 0.775 128 G HN 0.463 nan 8.290 nan 0.000 0.543 129 L N 0.066 121.261 121.223 -0.047 0.000 2.083 129 L HA -0.060 4.280 4.340 0.000 0.000 0.209 129 L C 2.878 179.712 176.870 -0.061 0.000 1.083 129 L CA 1.202 56.028 54.840 -0.025 0.000 0.752 129 L CB -0.413 41.668 42.059 0.036 0.000 0.899 129 L HN 0.307 nan 8.230 nan 0.000 0.433 130 E N -0.125 120.028 120.200 -0.079 0.000 2.106 130 E HA -0.180 4.170 4.350 0.000 0.000 0.192 130 E C 2.103 178.619 176.600 -0.141 0.000 0.984 130 E CA 0.676 57.029 56.400 -0.079 0.000 0.806 130 E CB 0.100 29.773 29.700 -0.044 0.000 0.750 130 E HN 0.290 nan 8.360 nan 0.000 0.458 131 K N 0.554 120.792 120.400 -0.270 0.000 2.209 131 K HA -0.083 4.237 4.320 0.000 0.000 0.204 131 K C 1.915 178.426 176.600 -0.149 0.000 1.048 131 K CA 0.724 56.850 56.287 -0.269 0.000 0.940 131 K CB -0.102 32.128 32.500 -0.450 0.000 0.729 131 K HN 0.238 nan 8.250 nan 0.000 0.451 132 L N -0.283 120.867 121.223 -0.120 0.000 2.599 132 L HA 0.049 4.389 4.340 0.000 0.000 0.230 132 L C 1.087 177.926 176.870 -0.051 0.000 1.141 132 L CA 0.500 55.298 54.840 -0.071 0.000 0.877 132 L CB -0.147 41.879 42.059 -0.054 0.000 1.009 132 L HN 0.380 nan 8.230 nan 0.000 0.447 133 G N -0.392 108.376 108.800 -0.054 0.000 2.179 133 G HA2 -0.203 3.757 3.960 0.000 0.000 0.220 133 G HA3 -0.203 3.757 3.960 0.000 0.000 0.220 133 G C 0.319 175.204 174.900 -0.025 0.000 0.990 133 G CA -0.133 44.945 45.100 -0.036 0.000 0.646 133 G HN 0.437 nan 8.290 nan 0.000 0.517 134 A N 0.098 122.904 122.820 -0.023 0.000 2.340 134 A HA 0.659 4.979 4.320 0.000 0.000 0.268 134 A C 0.393 177.975 177.584 -0.003 0.000 1.100 134 A CA 0.452 52.484 52.037 -0.008 0.000 0.803 134 A CB 0.596 19.599 19.000 0.003 0.000 1.043 134 A HN 0.618 nan 8.150 nan 0.000 0.488 135 E N 1.869 122.071 120.200 0.003 0.000 2.174 135 E HA 0.423 4.773 4.350 0.000 0.000 0.282 135 E C -1.125 175.486 176.600 0.019 0.000 0.992 135 E CA -0.513 55.892 56.400 0.009 0.000 0.803 135 E CB 0.527 30.231 29.700 0.007 0.000 1.090 135 E HN 0.466 nan 8.360 nan 0.000 0.396 136 I N 4.440 125.026 120.570 0.027 0.000 2.378 136 I HA 0.323 4.493 4.170 0.000 0.000 0.291 136 I C -0.201 175.940 176.117 0.039 0.000 0.992 136 I CA -0.644 60.679 61.300 0.039 0.000 1.154 136 I CB 1.389 39.418 38.000 0.049 0.000 1.315 136 I HN 0.513 nan 8.210 nan 0.000 0.448 137 K N 5.917 126.342 120.400 0.043 0.000 2.345 137 K HA 0.587 4.907 4.320 0.000 0.000 0.255 137 K C -1.279 175.356 176.600 0.059 0.000 0.934 137 K CA -0.857 55.456 56.287 0.044 0.000 0.801 137 K CB 2.516 35.037 32.500 0.036 0.000 1.137 137 K HN 0.240 nan 8.250 nan 0.000 0.424 138 L N 4.024 125.281 121.223 0.057 0.000 2.283 138 L HA 0.281 4.621 4.340 0.000 0.000 0.281 138 L C -0.454 176.456 176.870 0.067 0.000 1.033 138 L CA 0.069 54.949 54.840 0.066 0.000 0.848 138 L CB 0.594 42.684 42.059 0.051 0.000 1.226 138 L HN 0.633 nan 8.230 nan 0.000 0.429 139 E N 2.022 122.277 120.200 0.092 0.000 2.366 139 E HA 0.393 4.743 4.350 0.000 0.000 0.278 139 E C -0.926 175.754 176.600 0.133 0.000 0.923 139 E CA -0.964 55.488 56.400 0.087 0.000 0.761 139 E CB 1.453 31.193 29.700 0.066 0.000 1.231 139 E HN 0.490 nan 8.360 nan 0.000 0.443 140 E N 1.011 121.273 120.200 0.103 0.000 2.228 140 E HA -0.327 4.024 4.350 0.000 0.000 0.213 140 E C 0.641 177.317 176.600 0.126 0.000 1.282 140 E CA 0.802 57.273 56.400 0.117 0.000 0.707 140 E CB -2.488 27.302 29.700 0.150 0.000 1.150 140 E HN 1.453 nan 8.360 nan 0.000 0.362 141 G N -0.827 108.002 108.800 0.049 0.000 2.168 141 G HA2 -0.369 3.592 3.960 0.000 0.000 0.263 141 G HA3 -0.369 3.592 3.960 0.000 0.000 0.263 141 G C -0.114 174.714 174.900 -0.120 0.000 0.977 141 G CA 0.892 45.964 45.100 -0.046 0.000 0.659 141 G HN 0.531 nan 8.290 nan 0.000 0.533 142 Y N -1.677 118.644 120.300 0.035 0.000 2.549 142 Y HA 0.635 5.186 4.550 0.000 0.000 0.339 142 Y C 0.327 176.243 175.900 0.027 0.000 1.053 142 Y CA -0.730 57.391 58.100 0.036 0.000 1.105 142 Y CB 2.250 40.733 38.460 0.039 0.000 1.258 142 Y HN 0.262 nan 8.280 nan 0.000 0.478 143 V N 3.625 123.668 119.914 0.215 0.000 2.370 143 V HA 0.499 4.619 4.120 0.000 0.000 0.283 143 V C -1.151 175.033 176.094 0.149 0.000 1.023 143 V CA -0.626 61.753 62.300 0.131 0.000 0.857 143 V CB 0.665 32.532 31.823 0.072 0.000 0.985 143 V HN 0.723 nan 8.190 nan 0.000 0.443 144 K N 5.721 126.184 120.400 0.105 0.000 2.270 144 K HA 0.855 5.175 4.320 0.000 0.000 0.255 144 K C -0.757 175.874 176.600 0.052 0.000 0.936 144 K CA -0.494 55.833 56.287 0.066 0.000 0.809 144 K CB 2.284 34.801 32.500 0.030 0.000 1.131 144 K HN 0.810 nan 8.250 nan 0.000 0.427 145 A N 1.339 124.188 122.820 0.048 0.000 2.401 145 A HA 0.783 5.103 4.320 0.000 0.000 0.310 145 A C -0.849 176.748 177.584 0.023 0.000 1.075 145 A CA -0.646 51.415 52.037 0.040 0.000 0.746 145 A CB 1.404 20.436 19.000 0.053 0.000 1.277 145 A HN 0.722 nan 8.150 nan 0.000 0.425 146 S N -0.317 115.390 115.700 0.012 0.000 2.570 146 S HA 0.785 5.256 4.470 0.000 0.000 0.270 146 S C -1.341 173.255 174.600 -0.006 0.000 1.149 146 S CA -0.471 57.727 58.200 -0.002 0.000 0.837 146 S CB 1.268 64.464 63.200 -0.008 0.000 1.124 146 S HN 2.160 nan 8.310 nan 0.000 0.465 147 V N 1.241 121.147 119.914 -0.014 0.000 3.077 147 V HA 0.522 4.642 4.120 0.000 0.000 0.299 147 V C -1.877 174.204 176.094 -0.022 0.000 1.276 147 V CA -0.821 61.469 62.300 -0.016 0.000 0.993 147 V CB 2.277 34.089 31.823 -0.018 0.000 1.076 147 V HN 1.016 nan 8.190 nan 0.000 0.434 148 N N 4.239 122.928 118.700 -0.019 0.000 2.406 148 N HA 0.568 5.309 4.740 0.000 0.000 0.251 148 N C 0.455 175.951 175.510 -0.023 0.000 1.069 148 N CA 1.029 54.068 53.050 -0.020 0.000 0.947 148 N CB 1.256 39.733 38.487 -0.015 0.000 1.111 148 N HN 1.417 nan 8.380 nan 0.000 0.497 149 G N 2.265 111.048 108.800 -0.028 0.000 2.553 149 G HA2 -0.282 3.678 3.960 0.000 0.000 0.242 149 G HA3 -0.282 3.678 3.960 0.000 0.000 0.242 149 G C -0.336 174.542 174.900 -0.038 0.000 1.277 149 G CA -0.576 44.505 45.100 -0.032 0.000 0.910 149 G HN 0.610 nan 8.290 nan 0.000 0.576 150 R N -0.616 119.861 120.500 -0.039 0.000 2.560 150 R HA 0.581 4.922 4.340 0.000 0.000 0.270 150 R C 0.974 177.253 176.300 -0.036 0.000 1.074 150 R CA -0.636 55.438 56.100 -0.043 0.000 1.140 150 R CB 0.405 30.677 30.300 -0.045 0.000 1.073 150 R HN 0.466 nan 8.270 nan 0.000 0.527 151 L N 1.693 122.895 121.223 -0.036 0.000 2.476 151 L HA 0.137 4.477 4.340 0.000 0.000 0.264 151 L C 0.344 177.195 176.870 -0.032 0.000 1.224 151 L CA 0.435 55.256 54.840 -0.032 0.000 0.821 151 L CB 0.230 42.271 42.059 -0.030 0.000 1.101 151 L HN 0.398 nan 8.230 nan 0.000 0.488 152 K N 0.447 120.828 120.400 -0.032 0.000 2.378 152 K HA 0.383 4.703 4.320 0.000 0.000 0.252 152 K C -0.238 176.343 176.600 -0.031 0.000 0.931 152 K CA -0.697 55.572 56.287 -0.030 0.000 0.794 152 K CB 1.880 34.364 32.500 -0.026 0.000 1.181 152 K HN 0.720 nan 8.250 nan 0.000 0.425 153 G N 1.018 109.801 108.800 -0.028 0.000 2.484 153 G HA2 0.388 4.348 3.960 0.000 0.000 0.235 153 G HA3 0.388 4.348 3.960 0.000 0.000 0.235 153 G C -0.593 174.296 174.900 -0.019 0.000 1.282 153 G CA -0.131 44.954 45.100 -0.026 0.000 0.857 153 G HN 0.615 nan 8.290 nan 0.000 0.571 154 A N 1.216 124.029 122.820 -0.011 0.000 2.594 154 A HA 0.667 4.987 4.320 0.000 0.000 0.291 154 A C -0.861 176.765 177.584 0.071 0.000 1.105 154 A CA -0.736 51.308 52.037 0.012 0.000 0.694 154 A CB 1.127 20.112 19.000 -0.026 0.000 1.291 154 A HN 0.944 nan 8.150 nan 0.000 0.410 155 H N 0.845 119.900 119.070 -0.026 0.000 2.705 155 H HA 0.602 5.158 4.556 0.000 0.000 0.291 155 H C -1.117 174.211 175.328 -0.001 0.000 1.085 155 H CA -0.404 55.639 56.048 -0.008 0.000 1.357 155 H CB 0.253 30.016 29.762 0.001 0.000 1.419 155 H HN 0.454 nan 8.280 nan 0.000 0.462 156 I N 6.674 127.339 120.570 0.158 0.000 2.382 156 I HA 0.119 4.289 4.170 0.000 0.000 0.285 156 I C -0.572 175.608 176.117 0.105 0.000 1.007 156 I CA -0.842 60.496 61.300 0.065 0.000 1.142 156 I CB 1.776 39.784 38.000 0.013 0.000 1.289 156 I HN 0.341 nan 8.210 nan 0.000 0.453 157 V N 7.001 126.978 119.914 0.105 0.000 2.348 157 V HA 0.300 4.421 4.120 0.000 0.000 0.270 157 V C 0.466 176.648 176.094 0.146 0.000 1.037 157 V CA -0.523 61.819 62.300 0.071 0.000 0.872 157 V CB 1.109 32.914 31.823 -0.030 0.000 1.002 157 V HN 0.587 nan 8.190 nan 0.000 0.464 158 M N 4.669 124.333 119.600 0.108 0.000 2.188 158 M HA 0.206 4.687 4.480 0.000 0.000 0.354 158 M C 1.001 177.270 176.300 -0.052 0.000 1.342 158 M CA -0.294 55.038 55.300 0.053 0.000 1.117 158 M CB 0.673 33.307 32.600 0.058 0.000 1.670 158 M HN 0.771 nan 8.290 nan 0.000 0.466 159 D N 1.728 122.036 120.400 -0.152 0.000 2.340 159 D HA 0.040 4.680 4.640 0.000 0.000 0.220 159 D C -0.218 176.026 176.300 -0.095 0.000 1.039 159 D CA 0.505 54.426 54.000 -0.132 0.000 0.866 159 D CB 0.514 41.201 40.800 -0.188 0.000 0.913 159 D HN 0.473 nan 8.370 nan 0.000 0.523 160 K N -0.194 120.159 120.400 -0.078 0.000 2.523 160 K HA 0.385 4.705 4.320 0.000 0.000 0.257 160 K C -1.330 175.248 176.600 -0.037 0.000 0.932 160 K CA -0.942 55.309 56.287 -0.059 0.000 0.812 160 K CB 3.317 35.779 32.500 -0.064 0.000 1.326 160 K HN -0.225 nan 8.250 nan 0.000 0.433 161 V N 1.973 121.869 119.914 -0.030 0.000 2.470 161 V HA 0.177 4.297 4.120 0.000 0.000 0.276 161 V C -0.077 176.009 176.094 -0.013 0.000 1.040 161 V CA 0.156 62.448 62.300 -0.013 0.000 1.008 161 V CB 1.087 32.905 31.823 -0.009 0.000 0.990 161 V HN 0.723 nan 8.190 nan 0.000 0.477 162 S N 4.058 119.758 115.700 -0.000 0.000 2.736 162 S HA 0.358 4.829 4.470 0.000 0.000 0.285 162 S C 0.479 175.101 174.600 0.037 0.000 1.163 162 S CA -0.590 57.613 58.200 0.005 0.000 1.025 162 S CB 1.810 64.997 63.200 -0.021 0.000 1.030 162 S HN 0.335 nan 8.310 nan 0.000 0.486 163 V N 5.394 125.353 119.914 0.075 0.000 2.295 163 V HA -0.056 4.064 4.120 0.000 0.000 0.246 163 V C 2.667 178.909 176.094 0.246 0.000 1.049 163 V CA 2.690 65.075 62.300 0.141 0.000 1.024 163 V CB -1.172 30.754 31.823 0.171 0.000 0.648 163 V HN 0.954 nan 8.190 nan 0.000 0.447 164 G N -0.495 108.445 108.800 0.233 0.000 2.459 164 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 164 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 164 G C 1.738 176.725 174.900 0.145 0.000 1.183 164 G CA 1.113 46.425 45.100 0.353 0.000 0.776 164 G HN 0.628 nan 8.290 nan 0.000 0.552 165 A N -0.143 122.474 122.820 -0.337 0.000 1.968 165 A HA 0.077 4.397 4.320 0.000 0.000 0.217 165 A C 2.504 180.030 177.584 -0.096 0.000 1.169 165 A CA 2.251 53.993 52.037 -0.492 0.000 0.638 165 A CB -0.749 18.030 19.000 -0.368 0.000 0.812 165 A HN 0.294 nan 8.150 nan 0.000 0.446 166 T N -0.228 114.323 114.554 -0.005 0.000 2.720 166 T HA -0.134 4.216 4.350 0.000 0.000 0.268 166 T C 1.881 176.594 174.700 0.023 0.000 1.037 166 T CA 1.671 63.785 62.100 0.022 0.000 1.144 166 T CB -0.401 68.487 68.868 0.033 0.000 0.864 166 T HN 0.154 nan 8.240 nan 0.000 0.444 167 V N 1.335 121.283 119.914 0.056 0.000 2.295 167 V HA -0.197 3.924 4.120 0.000 0.000 0.246 167 V C 2.801 178.870 176.094 -0.041 0.000 1.049 167 V CA 2.030 64.287 62.300 -0.072 0.000 1.024 167 V CB -1.091 30.545 31.823 -0.311 0.000 0.648 167 V HN 0.517 nan 8.190 nan 0.000 0.447 168 T N 0.170 114.810 114.554 0.142 0.000 2.684 168 T HA -0.151 4.199 4.350 0.000 0.000 0.267 168 T C 1.769 176.520 174.700 0.084 0.000 1.036 168 T CA 1.949 64.166 62.100 0.195 0.000 1.148 168 T CB -0.259 68.828 68.868 0.365 0.000 0.863 168 T HN 0.354 nan 8.240 nan 0.000 0.436 169 I N 0.526 121.123 120.570 0.045 0.000 2.233 169 I HA -0.090 4.080 4.170 0.000 0.000 0.243 169 I C 2.548 178.667 176.117 0.003 0.000 1.093 169 I CA 1.046 62.358 61.300 0.019 0.000 1.380 169 I CB -0.347 37.660 38.000 0.011 0.000 1.067 169 I HN 0.243 nan 8.210 nan 0.000 0.413 170 M N 0.399 119.996 119.600 -0.006 0.000 2.117 170 M HA -0.215 4.265 4.480 0.000 0.000 0.262 170 M C 2.372 178.655 176.300 -0.029 0.000 1.065 170 M CA 1.921 57.209 55.300 -0.020 0.000 1.114 170 M CB -0.018 32.565 32.600 -0.029 0.000 1.361 170 M HN 0.117 nan 8.290 nan 0.000 0.408 171 S N 0.832 116.513 115.700 -0.031 0.000 2.355 171 S HA -0.033 4.437 4.470 0.000 0.000 0.222 171 S C 2.052 176.647 174.600 -0.009 0.000 1.031 171 S CA 1.250 59.434 58.200 -0.027 0.000 0.993 171 S CB -0.544 62.638 63.200 -0.030 0.000 0.859 171 S HN 0.694 nan 8.310 nan 0.000 0.453 172 A N 1.564 124.389 122.820 0.008 0.000 1.930 172 A HA 0.172 4.492 4.320 0.000 0.000 0.217 172 A C 2.306 179.882 177.584 -0.013 0.000 1.175 172 A CA 1.535 53.578 52.037 0.009 0.000 0.627 172 A CB -0.966 18.049 19.000 0.026 0.000 0.815 172 A HN 0.508 nan 8.150 nan 0.000 0.443 173 A N -0.023 122.786 122.820 -0.018 0.000 2.070 173 A HA -0.077 4.243 4.320 0.000 0.000 0.220 173 A C 2.308 179.870 177.584 -0.036 0.000 1.159 173 A CA 2.219 54.240 52.037 -0.027 0.000 0.656 173 A CB -1.365 17.620 19.000 -0.024 0.000 0.800 173 A HN 0.800 nan 8.150 nan 0.000 0.453 174 T N -2.197 112.333 114.554 -0.041 0.000 2.929 174 T HA -0.021 4.330 4.350 0.000 0.000 0.271 174 T C 1.332 175.998 174.700 -0.057 0.000 1.085 174 T CA 1.463 63.531 62.100 -0.053 0.000 1.125 174 T CB -0.308 68.521 68.868 -0.066 0.000 0.874 174 T HN 0.341 nan 8.240 nan 0.000 0.494 175 L N 0.163 121.353 121.223 -0.054 0.000 2.766 175 L HA 0.532 4.872 4.340 0.000 0.000 0.242 175 L C 1.448 178.285 176.870 -0.055 0.000 1.136 175 L CA -0.482 54.320 54.840 -0.063 0.000 0.933 175 L CB -0.178 41.835 42.059 -0.077 0.000 1.241 175 L HN 0.294 nan 8.230 nan 0.000 0.522 176 A N 0.417 123.209 122.820 -0.046 0.000 2.296 176 A HA 0.257 4.577 4.320 0.000 0.000 0.264 176 A C 0.123 177.683 177.584 -0.040 0.000 1.097 176 A CA -0.193 51.819 52.037 -0.041 0.000 0.811 176 A CB 0.251 19.230 19.000 -0.036 0.000 1.072 176 A HN 0.243 nan 8.150 nan 0.000 0.495 177 E N -0.038 120.140 120.200 -0.036 0.000 2.194 177 E HA 0.467 4.817 4.350 0.000 0.000 0.284 177 E C 0.540 177.121 176.600 -0.031 0.000 1.035 177 E CA 0.699 57.079 56.400 -0.033 0.000 0.836 177 E CB 0.873 30.554 29.700 -0.030 0.000 1.070 177 E HN 1.265 nan 8.360 nan 0.000 0.401 178 G N 2.605 111.387 108.800 -0.031 0.000 2.582 178 G HA2 -0.191 3.769 3.960 0.000 0.000 0.222 178 G HA3 -0.191 3.769 3.960 0.000 0.000 0.222 178 G C -0.489 174.391 174.900 -0.033 0.000 1.311 178 G CA -0.809 44.273 45.100 -0.030 0.000 0.915 178 G HN 0.451 nan 8.290 nan 0.000 0.528 179 T N 0.982 115.516 114.554 -0.034 0.000 2.824 179 T HA 0.696 5.046 4.350 0.000 0.000 0.280 179 T C 0.004 174.683 174.700 -0.035 0.000 0.995 179 T CA 0.196 62.273 62.100 -0.038 0.000 1.009 179 T CB 1.616 70.456 68.868 -0.046 0.000 0.955 179 T HN 0.748 nan 8.240 nan 0.000 0.452 180 T N 3.364 117.899 114.554 -0.031 0.000 2.807 180 T HA 0.618 4.968 4.350 0.000 0.000 0.279 180 T C -0.323 174.367 174.700 -0.016 0.000 0.993 180 T CA -0.479 61.610 62.100 -0.018 0.000 0.970 180 T CB 0.555 69.413 68.868 -0.015 0.000 0.950 180 T HN 0.411 nan 8.240 nan 0.000 0.441 181 I N 3.779 124.354 120.570 0.008 0.000 2.410 181 I HA 0.434 4.604 4.170 0.000 0.000 0.286 181 I C -0.542 175.649 176.117 0.123 0.000 1.009 181 I CA -0.715 60.596 61.300 0.017 0.000 1.111 181 I CB 1.581 39.508 38.000 -0.122 0.000 1.262 181 I HN 0.465 nan 8.210 nan 0.000 0.443 182 I N 6.296 126.916 120.570 0.082 0.000 2.304 182 I HA 0.250 4.420 4.170 0.000 0.000 0.291 182 I C 0.127 176.302 176.117 0.097 0.000 1.018 182 I CA -0.514 60.840 61.300 0.090 0.000 1.260 182 I CB 0.759 38.791 38.000 0.053 0.000 1.390 182 I HN 0.466 nan 8.210 nan 0.000 0.475 183 E N 5.965 126.233 120.200 0.114 0.000 2.242 183 E HA 0.258 4.608 4.350 0.000 0.000 0.275 183 E C -0.105 176.529 176.600 0.057 0.000 1.002 183 E CA -0.510 55.944 56.400 0.089 0.000 0.841 183 E CB 0.994 30.746 29.700 0.086 0.000 1.109 183 E HN 0.472 nan 8.360 nan 0.000 0.394 184 N N -0.417 118.307 118.700 0.040 0.000 2.735 184 N HA -0.189 4.551 4.740 0.000 0.000 0.248 184 N C -0.533 174.994 175.510 0.028 0.000 1.083 184 N CA 0.971 54.036 53.050 0.025 0.000 0.703 184 N CB -1.472 37.021 38.487 0.010 0.000 1.005 184 N HN 0.590 nan 8.380 nan 0.000 0.550 185 A N -0.218 122.623 122.820 0.035 0.000 2.445 185 A HA 0.623 4.944 4.320 0.000 0.000 0.242 185 A C 0.979 178.583 177.584 0.032 0.000 1.075 185 A CA 0.301 52.358 52.037 0.034 0.000 0.777 185 A CB 0.455 19.474 19.000 0.033 0.000 1.013 185 A HN 0.562 nan 8.150 nan 0.000 0.493 186 A N 1.655 124.495 122.820 0.034 0.000 2.462 186 A HA 0.416 4.736 4.320 0.000 0.000 0.243 186 A C 0.976 178.590 177.584 0.049 0.000 1.076 186 A CA -0.154 51.908 52.037 0.042 0.000 0.773 186 A CB 0.040 19.068 19.000 0.047 0.000 1.010 186 A HN 0.858 nan 8.150 nan 0.000 0.493 187 R N 0.561 121.106 120.500 0.075 0.000 2.397 187 R HA 0.093 4.433 4.340 0.000 0.000 0.241 187 R C -0.443 175.925 176.300 0.112 0.000 0.914 187 R CA -0.186 55.978 56.100 0.106 0.000 1.071 187 R CB 0.183 30.565 30.300 0.138 0.000 1.116 187 R HN 0.798 nan 8.270 nan 0.000 0.524 188 E N 1.418 121.633 120.200 0.024 0.000 2.565 188 E HA -0.097 4.253 4.350 0.000 0.000 0.268 188 E C -1.720 174.751 176.600 -0.216 0.000 1.000 188 E CA -0.626 55.662 56.400 -0.187 0.000 0.964 188 E CB 0.416 30.058 29.700 -0.098 0.000 0.955 188 E HN -0.095 nan 8.360 nan 0.000 0.459 189 P HA -0.148 nan 4.420 nan 0.000 0.219 189 P C 0.262 177.507 177.300 -0.092 0.000 1.146 189 P CA 1.109 64.097 63.100 -0.186 0.000 0.808 189 P CB 0.294 31.874 31.700 -0.201 0.000 0.779 190 E N -1.124 119.021 120.200 -0.092 0.000 2.204 190 E HA -0.108 4.243 4.350 0.000 0.000 0.194 190 E C 1.836 178.408 176.600 -0.046 0.000 0.989 190 E CA 0.753 57.125 56.400 -0.046 0.000 0.824 190 E CB -0.697 28.991 29.700 -0.021 0.000 0.756 190 E HN 0.201 nan 8.360 nan 0.000 0.477 191 I N 0.041 120.586 120.570 -0.041 0.000 2.286 191 I HA -0.161 4.009 4.170 0.000 0.000 0.245 191 I C 2.092 178.192 176.117 -0.029 0.000 1.104 191 I CA 0.802 62.080 61.300 -0.036 0.000 1.397 191 I CB -0.945 37.048 38.000 -0.011 0.000 1.072 191 I HN 0.013 nan 8.210 nan 0.000 0.417 192 V N 1.089 120.994 119.914 -0.016 0.000 2.343 192 V HA -0.291 3.829 4.120 0.000 0.000 0.247 192 V C 2.289 178.396 176.094 0.022 0.000 1.051 192 V CA 2.115 64.418 62.300 0.005 0.000 1.036 192 V CB -0.668 31.164 31.823 0.014 0.000 0.654 192 V HN 0.311 nan 8.190 nan 0.000 0.451 193 D N -0.217 120.200 120.400 0.029 0.000 2.117 193 D HA -0.139 4.501 4.640 0.000 0.000 0.197 193 D C 2.268 178.561 176.300 -0.011 0.000 0.987 193 D CA 1.748 55.800 54.000 0.086 0.000 0.829 193 D CB -0.128 40.729 40.800 0.094 0.000 0.961 193 D HN 0.399 nan 8.370 nan 0.000 0.460 194 T N -0.354 114.165 114.554 -0.057 0.000 2.821 194 T HA -0.084 4.267 4.350 0.000 0.000 0.267 194 T C 1.912 176.579 174.700 -0.055 0.000 1.046 194 T CA 1.336 63.385 62.100 -0.085 0.000 1.139 194 T CB -0.384 68.401 68.868 -0.138 0.000 0.871 194 T HN 0.212 nan 8.240 nan 0.000 0.454 195 A N 2.457 125.245 122.820 -0.053 0.000 1.902 195 A HA -0.145 4.176 4.320 0.000 0.000 0.217 195 A C 2.245 179.786 177.584 -0.071 0.000 1.181 195 A CA 1.472 53.477 52.037 -0.053 0.000 0.623 195 A CB -0.577 18.405 19.000 -0.031 0.000 0.818 195 A HN 0.372 nan 8.150 nan 0.000 0.443 196 N N -1.040 117.633 118.700 -0.044 0.000 2.244 196 N HA -0.100 4.640 4.740 0.000 0.000 0.183 196 N C 1.361 176.754 175.510 -0.194 0.000 1.016 196 N CA 1.297 54.339 53.050 -0.013 0.000 0.866 196 N CB -0.582 38.004 38.487 0.165 0.000 0.980 196 N HN 0.548 nan 8.380 nan 0.000 0.430 197 F N 1.741 121.272 119.950 -0.699 0.000 2.102 197 F HA -0.040 4.488 4.527 0.000 0.000 0.298 197 F C 1.953 177.516 175.800 -0.395 0.000 1.105 197 F CA 1.045 58.454 58.000 -0.984 0.000 1.239 197 F CB -0.475 37.941 39.000 -0.973 0.000 0.991 197 F HN -0.087 nan 8.300 nan 0.000 0.474 198 L N -0.520 120.437 121.223 -0.444 0.000 2.046 198 L HA -0.225 4.115 4.340 0.000 0.000 0.208 198 L C 2.413 179.087 176.870 -0.327 0.000 1.077 198 L CA 1.080 55.672 54.840 -0.413 0.000 0.747 198 L CB -0.873 41.075 42.059 -0.184 0.000 0.896 198 L HN 0.026 nan 8.230 nan 0.000 0.432 199 V N 0.011 119.793 119.914 -0.219 0.000 2.407 199 V HA -0.287 3.833 4.120 0.000 0.000 0.248 199 V C 2.725 178.728 176.094 -0.150 0.000 1.055 199 V CA 1.701 63.915 62.300 -0.144 0.000 1.049 199 V CB -0.856 30.922 31.823 -0.075 0.000 0.662 199 V HN 0.494 nan 8.190 nan 0.000 0.455 200 A N -0.349 122.363 122.820 -0.181 0.000 2.024 200 A HA -0.130 4.190 4.320 0.000 0.000 0.220 200 A C 2.092 179.562 177.584 -0.190 0.000 1.164 200 A CA 1.563 53.527 52.037 -0.122 0.000 0.643 200 A CB -0.460 18.526 19.000 -0.025 0.000 0.806 200 A HN 0.551 nan 8.150 nan 0.000 0.451 201 L N -2.007 119.017 121.223 -0.332 0.000 2.554 201 L HA 0.204 4.544 4.340 0.000 0.000 0.226 201 L C 1.650 178.415 176.870 -0.175 0.000 1.137 201 L CA 0.636 55.306 54.840 -0.283 0.000 0.863 201 L CB -0.042 41.771 42.059 -0.410 0.000 0.985 201 L HN 0.586 nan 8.230 nan 0.000 0.451 202 G N -0.660 108.048 108.800 -0.153 0.000 2.227 202 G HA2 -0.131 3.829 3.960 0.000 0.000 0.168 202 G HA3 -0.131 3.829 3.960 0.000 0.000 0.168 202 G C 0.327 175.167 174.900 -0.100 0.000 1.006 202 G CA -0.183 44.855 45.100 -0.105 0.000 0.684 202 G HN 0.380 nan 8.290 nan 0.000 0.489 203 A N 0.058 122.804 122.820 -0.124 0.000 2.327 203 A HA 0.714 5.035 4.320 0.000 0.000 0.255 203 A C 0.379 177.915 177.584 -0.079 0.000 1.099 203 A CA 0.274 52.250 52.037 -0.101 0.000 0.801 203 A CB 0.427 19.357 19.000 -0.116 0.000 1.062 203 A HN 0.331 nan 8.150 nan 0.000 0.496 204 K N 0.637 120.998 120.400 -0.064 0.000 2.507 204 K HA 0.605 4.925 4.320 0.000 0.000 0.253 204 K C -1.574 174.999 176.600 -0.046 0.000 0.969 204 K CA 0.260 56.517 56.287 -0.050 0.000 0.908 204 K CB 1.213 33.687 32.500 -0.043 0.000 1.127 204 K HN 0.571 nan 8.250 nan 0.000 0.437 205 I N 1.686 122.231 120.570 -0.042 0.000 2.656 205 I HA 0.274 4.444 4.170 0.000 0.000 0.292 205 I C -0.505 175.597 176.117 -0.025 0.000 1.144 205 I CA -0.691 60.588 61.300 -0.035 0.000 1.038 205 I CB 2.348 40.324 38.000 -0.041 0.000 1.244 205 I HN 0.575 nan 8.210 nan 0.000 0.420 206 S N 2.392 118.081 115.700 -0.020 0.000 2.588 206 S HA 0.846 5.316 4.470 0.000 0.000 0.275 206 S C 0.288 174.883 174.600 -0.008 0.000 1.130 206 S CA -0.015 58.177 58.200 -0.013 0.000 0.855 206 S CB 2.098 65.289 63.200 -0.014 0.000 1.116 206 S HN 1.351 nan 8.310 nan 0.000 0.472 207 G N 0.749 109.548 108.800 -0.002 0.000 2.175 207 G HA2 -0.242 3.719 3.960 0.000 0.000 0.244 207 G HA3 -0.242 3.719 3.960 0.000 0.000 0.244 207 G C 0.111 175.016 174.900 0.009 0.000 0.982 207 G CA 0.128 45.230 45.100 0.004 0.000 0.641 207 G HN 1.254 nan 8.290 nan 0.000 0.527 208 Q N 0.322 120.126 119.800 0.007 0.000 2.286 208 Q HA 0.392 4.732 4.340 0.000 0.000 0.290 208 Q C 1.173 177.186 176.000 0.022 0.000 1.049 208 Q CA 1.055 56.865 55.803 0.011 0.000 0.923 208 Q CB 0.928 29.669 28.738 0.004 0.000 1.183 208 Q HN 1.816 nan 8.270 nan 0.000 0.383 209 G N 2.184 111.003 108.800 0.032 0.000 2.213 209 G HA2 -0.282 3.678 3.960 0.000 0.000 0.226 209 G HA3 -0.282 3.678 3.960 0.000 0.000 0.226 209 G C 0.254 175.185 174.900 0.053 0.000 0.992 209 G CA 0.280 45.412 45.100 0.053 0.000 0.632 209 G HN 1.136 nan 8.290 nan 0.000 0.511 210 T N -1.714 112.861 114.554 0.035 0.000 2.919 210 T HA 0.559 4.909 4.350 0.000 0.000 0.282 210 T C 1.112 175.829 174.700 0.029 0.000 1.020 210 T CA 0.524 62.641 62.100 0.028 0.000 0.994 210 T CB 1.724 70.603 68.868 0.019 0.000 1.180 210 T HN 0.290 nan 8.240 nan 0.000 0.566 211 D N -0.746 119.669 120.400 0.025 0.000 2.378 211 D HA -0.058 4.582 4.640 0.000 0.000 0.227 211 D C 0.646 176.965 176.300 0.032 0.000 1.012 211 D CA 0.057 54.073 54.000 0.027 0.000 0.905 211 D CB 0.367 41.179 40.800 0.022 0.000 0.895 211 D HN 0.507 nan 8.370 nan 0.000 0.532 212 R N 0.591 121.108 120.500 0.029 0.000 2.502 212 R HA 0.486 4.826 4.340 0.000 0.000 0.298 212 R C -1.359 174.954 176.300 0.022 0.000 1.018 212 R CA -0.563 55.557 56.100 0.033 0.000 0.899 212 R CB 1.234 31.554 30.300 0.033 0.000 1.181 212 R HN -0.058 nan 8.270 nan 0.000 0.444 213 I N 3.099 123.682 120.570 0.022 0.000 2.404 213 I HA 0.321 4.491 4.170 0.000 0.000 0.293 213 I C -0.282 175.836 176.117 0.001 0.000 0.992 213 I CA -0.710 60.595 61.300 0.009 0.000 1.149 213 I CB 2.413 40.418 38.000 0.008 0.000 1.315 213 I HN 0.504 nan 8.210 nan 0.000 0.446 214 T N 6.975 121.522 114.554 -0.012 0.000 2.786 214 T HA 0.627 4.978 4.350 0.000 0.000 0.283 214 T C -0.387 174.297 174.700 -0.026 0.000 0.992 214 T CA -0.308 61.778 62.100 -0.024 0.000 0.954 214 T CB 1.032 69.880 68.868 -0.033 0.000 0.934 214 T HN 0.183 nan 8.240 nan 0.000 0.440 215 I N 2.584 123.137 120.570 -0.029 0.000 2.406 215 I HA 0.357 4.527 4.170 0.000 0.000 0.290 215 I C 0.207 176.302 176.117 -0.036 0.000 0.999 215 I CA -0.571 60.709 61.300 -0.033 0.000 1.124 215 I CB 1.860 39.841 38.000 -0.032 0.000 1.289 215 I HN 0.546 nan 8.210 nan 0.000 0.441 216 E N 4.859 125.036 120.200 -0.038 0.000 2.113 216 E HA 0.538 4.888 4.350 0.000 0.000 0.273 216 E C 0.047 176.622 176.600 -0.041 0.000 0.924 216 E CA -0.668 55.709 56.400 -0.038 0.000 0.764 216 E CB 1.164 30.842 29.700 -0.036 0.000 1.104 216 E HN 0.818 nan 8.360 nan 0.000 0.406 217 G N 2.480 111.256 108.800 -0.041 0.000 2.544 217 G HA2 0.352 4.312 3.960 0.000 0.000 0.242 217 G HA3 0.352 4.312 3.960 0.000 0.000 0.242 217 G C -0.036 174.836 174.900 -0.046 0.000 1.247 217 G CA -0.046 45.027 45.100 -0.044 0.000 0.840 217 G HN 0.457 nan 8.290 nan 0.000 0.578 218 V N -0.783 119.099 119.914 -0.052 0.000 3.126 218 V HA 0.577 4.698 4.120 0.000 0.000 0.314 218 V C 0.784 176.844 176.094 -0.057 0.000 1.138 218 V CA -0.753 61.516 62.300 -0.052 0.000 1.034 218 V CB 1.940 33.730 31.823 -0.056 0.000 1.075 218 V HN 0.782 nan 8.190 nan 0.000 0.442 219 E N 0.981 121.149 120.200 -0.054 0.000 2.107 219 E HA 0.016 4.366 4.350 0.000 0.000 0.191 219 E C 0.456 177.013 176.600 -0.071 0.000 0.982 219 E CA 1.486 57.852 56.400 -0.058 0.000 0.809 219 E CB 0.121 29.792 29.700 -0.048 0.000 0.756 219 E HN 0.767 nan 8.360 nan 0.000 0.459 220 R N -0.653 119.806 120.500 -0.069 0.000 2.692 220 R HA 0.481 4.821 4.340 0.000 0.000 0.269 220 R C -1.548 174.707 176.300 -0.075 0.000 1.030 220 R CA -0.674 55.379 56.100 -0.077 0.000 0.882 220 R CB 0.821 31.080 30.300 -0.069 0.000 1.250 220 R HN -0.151 nan 8.270 nan 0.000 0.465 221 L N 1.271 122.446 121.223 -0.081 0.000 2.330 221 L HA 0.667 5.008 4.340 0.000 0.000 0.271 221 L C 0.664 177.491 176.870 -0.071 0.000 1.013 221 L CA -0.624 54.162 54.840 -0.090 0.000 0.816 221 L CB 2.033 44.025 42.059 -0.112 0.000 1.287 221 L HN 1.017 nan 8.230 nan 0.000 0.435 222 G N 0.609 109.364 108.800 -0.075 0.000 3.348 222 G HA2 0.632 4.592 3.960 0.000 0.000 0.180 222 G HA3 0.632 4.592 3.960 0.000 0.000 0.180 222 G C -0.027 174.850 174.900 -0.038 0.000 1.915 222 G CA 0.387 45.458 45.100 -0.047 0.000 0.937 222 G HN 0.790 nan 8.290 nan 0.000 0.564 223 G N -3.204 105.578 108.800 -0.030 0.000 2.706 223 G HA2 0.693 4.653 3.960 0.000 0.000 0.307 223 G HA3 0.693 4.653 3.960 0.000 0.000 0.307 223 G C -0.404 174.499 174.900 0.005 0.000 1.307 223 G CA 0.249 45.349 45.100 0.001 0.000 0.790 223 G HN 1.855 nan 8.290 nan 0.000 0.503 224 G N -2.531 106.304 108.800 0.058 0.000 2.339 224 G HA2 0.520 4.480 3.960 0.000 0.000 0.275 224 G HA3 0.520 4.480 3.960 0.000 0.000 0.275 224 G C -1.914 173.062 174.900 0.125 0.000 1.323 224 G CA 0.250 45.394 45.100 0.074 0.000 0.927 224 G HN 1.505 nan 8.290 nan 0.000 0.486 225 V N 0.301 120.294 119.914 0.132 0.000 2.656 225 V HA 0.775 4.895 4.120 0.000 0.000 0.307 225 V C -1.138 175.078 176.094 0.204 0.000 1.051 225 V CA -0.589 61.790 62.300 0.132 0.000 0.893 225 V CB 1.592 33.458 31.823 0.072 0.000 0.999 225 V HN 1.035 nan 8.190 nan 0.000 0.426 226 Y N 3.635 123.977 120.300 0.070 0.000 2.479 226 Y HA 0.607 5.157 4.550 0.000 0.000 0.338 226 Y C -0.398 175.499 175.900 -0.005 0.000 1.055 226 Y CA -0.812 57.342 58.100 0.089 0.000 1.023 226 Y CB 1.768 40.408 38.460 0.300 0.000 1.287 226 Y HN 0.630 nan 8.280 nan 0.000 0.447 227 R N 5.092 125.272 120.500 -0.534 0.000 2.295 227 R HA 0.611 4.951 4.340 0.000 0.000 0.324 227 R C -1.439 174.686 176.300 -0.291 0.000 0.968 227 R CA -0.600 55.308 56.100 -0.319 0.000 0.837 227 R CB 1.025 31.163 30.300 -0.270 0.000 1.133 227 R HN 0.620 nan 8.270 nan 0.000 0.450 228 V N 6.467 126.335 119.914 -0.077 0.000 2.655 228 V HA -0.002 4.119 4.120 0.000 0.000 0.300 228 V C 0.967 177.041 176.094 -0.033 0.000 1.044 228 V CA -0.098 62.207 62.300 0.008 0.000 1.095 228 V CB 0.635 32.444 31.823 -0.024 0.000 0.952 228 V HN 0.689 nan 8.190 nan 0.000 0.485 229 L N 5.774 127.000 121.223 0.005 0.000 2.476 229 L HA 0.487 4.827 4.340 0.000 0.000 0.264 229 L C -2.355 174.505 176.870 -0.018 0.000 1.224 229 L CA -1.451 53.380 54.840 -0.015 0.000 0.821 229 L CB 0.087 42.148 42.059 0.005 0.000 1.101 229 L HN 0.362 nan 8.230 nan 0.000 0.488 230 P HA 0.022 nan 4.420 nan 0.000 0.269 230 P C -1.223 176.072 177.300 -0.008 0.000 1.215 230 P CA -0.070 63.026 63.100 -0.007 0.000 0.780 230 P CB 0.365 32.067 31.700 0.004 0.000 0.898 231 D N 2.290 122.687 120.400 -0.005 0.000 2.342 231 D HA -0.016 4.624 4.640 0.000 0.000 0.260 231 D C 1.345 177.644 176.300 -0.002 0.000 1.278 231 D CA -0.066 53.923 54.000 -0.019 0.000 0.910 231 D CB 0.444 41.223 40.800 -0.035 0.000 1.079 231 D HN 0.320 nan 8.370 nan 0.000 0.496 232 R N 3.852 124.343 120.500 -0.014 0.000 2.148 232 R HA -0.107 4.234 4.340 0.000 0.000 0.227 232 R C 1.265 177.569 176.300 0.008 0.000 1.103 232 R CA 0.562 56.661 56.100 -0.000 0.000 0.983 232 R CB -0.130 30.157 30.300 -0.022 0.000 0.874 232 R HN 0.344 nan 8.270 nan 0.000 0.451 233 I N 1.713 122.272 120.570 -0.018 0.000 2.480 233 I HA -0.095 4.075 4.170 0.000 0.000 0.251 233 I C 2.523 178.651 176.117 0.019 0.000 1.124 233 I CA 1.033 62.327 61.300 -0.011 0.000 1.444 233 I CB -1.173 36.800 38.000 -0.043 0.000 1.098 233 I HN 0.339 nan 8.210 nan 0.000 0.428 234 E N 1.086 121.274 120.200 -0.019 0.000 2.085 234 E HA -0.211 4.139 4.350 0.000 0.000 0.194 234 E C 1.999 178.741 176.600 0.236 0.000 0.994 234 E CA 2.093 58.555 56.400 0.103 0.000 0.801 234 E CB 0.175 29.937 29.700 0.103 0.000 0.743 234 E HN 0.385 nan 8.360 nan 0.000 0.453 235 T N -0.163 114.502 114.554 0.184 0.000 2.652 235 T HA -0.140 4.211 4.350 0.000 0.000 0.267 235 T C 1.755 176.562 174.700 0.179 0.000 1.039 235 T CA 1.331 63.555 62.100 0.207 0.000 1.153 235 T CB -0.735 68.209 68.868 0.127 0.000 0.863 235 T HN 0.424 nan 8.240 nan 0.000 0.428 236 G N 1.032 109.906 108.800 0.124 0.000 2.442 236 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 236 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 236 G C 1.711 176.669 174.900 0.096 0.000 1.141 236 G CA 1.511 46.690 45.100 0.131 0.000 0.763 236 G HN 0.467 nan 8.290 nan 0.000 0.554 237 T N 0.837 115.419 114.554 0.046 0.000 2.708 237 T HA -0.078 4.272 4.350 0.000 0.000 0.266 237 T C 2.046 176.617 174.700 -0.216 0.000 1.037 237 T CA 1.088 63.130 62.100 -0.096 0.000 1.146 237 T CB -0.338 68.456 68.868 -0.123 0.000 0.865 237 T HN 0.290 nan 8.240 nan 0.000 0.435 238 F N 0.791 120.786 119.950 0.075 0.000 2.259 238 F HA 0.124 4.651 4.527 0.000 0.000 0.298 238 F C 2.105 177.918 175.800 0.022 0.000 1.088 238 F CA 0.528 58.551 58.000 0.039 0.000 1.358 238 F CB -0.441 38.590 39.000 0.050 0.000 1.040 238 F HN 0.062 nan 8.300 nan 0.000 0.505 239 L N -0.792 120.533 121.223 0.171 0.000 2.046 239 L HA -0.211 4.129 4.340 0.000 0.000 0.208 239 L C 2.345 179.229 176.870 0.022 0.000 1.077 239 L CA 0.772 55.676 54.840 0.106 0.000 0.747 239 L CB -0.815 41.312 42.059 0.115 0.000 0.896 239 L HN -0.040 nan 8.230 nan 0.000 0.432 240 V N 0.066 119.956 119.914 -0.041 0.000 2.407 240 V HA -0.281 3.839 4.120 0.000 0.000 0.248 240 V C 2.756 178.788 176.094 -0.104 0.000 1.055 240 V CA 1.660 63.867 62.300 -0.155 0.000 1.049 240 V CB -0.804 30.872 31.823 -0.245 0.000 0.662 240 V HN 0.480 nan 8.190 nan 0.000 0.455 241 A N 0.075 122.857 122.820 -0.064 0.000 1.908 241 A HA -0.184 4.137 4.320 0.000 0.000 0.218 241 A C 2.406 179.985 177.584 -0.007 0.000 1.181 241 A CA 2.313 54.327 52.037 -0.038 0.000 0.627 241 A CB -0.727 18.280 19.000 0.011 0.000 0.818 241 A HN 0.582 nan 8.150 nan 0.000 0.445 242 A N -0.485 122.347 122.820 0.020 0.000 1.929 242 A HA 0.287 4.607 4.320 0.000 0.000 0.216 242 A C 2.458 180.033 177.584 -0.015 0.000 1.176 242 A CA 1.703 53.747 52.037 0.011 0.000 0.628 242 A CB -0.906 18.111 19.000 0.028 0.000 0.816 242 A HN 1.065 nan 8.150 nan 0.000 0.444 243 A N 0.531 123.333 122.820 -0.031 0.000 2.019 243 A HA -0.043 4.277 4.320 0.000 0.000 0.219 243 A C 1.965 179.517 177.584 -0.054 0.000 1.164 243 A CA 1.433 53.444 52.037 -0.044 0.000 0.644 243 A CB -0.735 18.220 19.000 -0.074 0.000 0.805 243 A HN 0.983 nan 8.150 nan 0.000 0.449 244 I N -2.991 117.540 120.570 -0.066 0.000 3.883 244 I HA 0.143 4.314 4.170 0.000 0.000 0.326 244 I C 1.222 177.316 176.117 -0.039 0.000 1.283 244 I CA 1.029 62.293 61.300 -0.060 0.000 1.161 244 I CB 0.300 38.254 38.000 -0.077 0.000 1.012 244 I HN 0.218 nan 8.210 nan 0.000 0.421 245 S N -0.128 115.554 115.700 -0.030 0.000 2.663 245 S HA 0.440 4.910 4.470 0.000 0.000 0.243 245 S C 1.403 175.994 174.600 -0.015 0.000 1.009 245 S CA 0.150 58.337 58.200 -0.021 0.000 0.988 245 S CB 0.222 63.411 63.200 -0.019 0.000 0.896 245 S HN 0.724 nan 8.310 nan 0.000 0.502 246 G N 0.536 109.328 108.800 -0.013 0.000 2.203 246 G HA2 -0.142 3.818 3.960 0.000 0.000 0.263 246 G HA3 -0.142 3.818 3.960 0.000 0.000 0.263 246 G C 0.543 175.434 174.900 -0.015 0.000 1.012 246 G CA 0.117 45.212 45.100 -0.007 0.000 0.749 246 G HN 1.094 nan 8.290 nan 0.000 0.512 247 G N -1.016 107.773 108.800 -0.020 0.000 2.531 247 G HA2 0.668 4.628 3.960 0.000 0.000 0.281 247 G HA3 0.668 4.628 3.960 0.000 0.000 0.281 247 G C -0.189 174.686 174.900 -0.042 0.000 1.382 247 G CA -0.041 45.044 45.100 -0.025 0.000 1.045 247 G HN 0.666 nan 8.290 nan 0.000 0.533 248 K N -0.993 119.384 120.400 -0.037 0.000 2.535 248 K HA 0.615 4.935 4.320 0.000 0.000 0.251 248 K C -1.807 174.781 176.600 -0.019 0.000 0.942 248 K CA -0.639 55.619 56.287 -0.048 0.000 0.798 248 K CB 2.037 34.492 32.500 -0.074 0.000 1.267 248 K HN 0.427 nan 8.250 nan 0.000 0.434 249 I N 3.273 123.844 120.570 0.002 0.000 2.913 249 I HA 0.461 4.632 4.170 0.000 0.000 0.302 249 I C -1.636 174.503 176.117 0.038 0.000 1.246 249 I CA -1.044 60.267 61.300 0.017 0.000 1.010 249 I CB 2.336 40.365 38.000 0.049 0.000 1.259 249 I HN 0.385 nan 8.210 nan 0.000 0.434 250 V N 5.191 125.119 119.914 0.024 0.000 2.444 250 V HA 0.351 4.471 4.120 0.000 0.000 0.294 250 V C -0.651 175.482 176.094 0.064 0.000 1.022 250 V CA -0.574 61.763 62.300 0.061 0.000 0.850 250 V CB 1.385 33.197 31.823 -0.018 0.000 0.992 250 V HN 0.749 nan 8.190 nan 0.000 0.426 251 C N 6.321 125.697 119.300 0.128 0.000 2.285 251 C HA 0.601 5.062 4.460 0.000 0.000 0.335 251 C C 0.613 175.684 174.990 0.135 0.000 1.267 251 C CA -0.996 58.081 59.018 0.097 0.000 1.762 251 C CB -0.028 27.787 27.740 0.124 0.000 2.365 251 C HN 0.749 nan 8.230 nan 0.000 0.527 252 R N 2.432 122.978 120.500 0.075 0.000 2.596 252 R HA 0.278 4.618 4.340 0.000 0.000 0.267 252 R C 0.255 176.596 176.300 0.067 0.000 1.026 252 R CA -0.450 55.704 56.100 0.090 0.000 1.087 252 R CB 0.256 30.576 30.300 0.033 0.000 1.132 252 R HN 0.763 nan 8.270 nan 0.000 0.531 253 N N -1.088 117.655 118.700 0.071 0.000 2.725 253 N HA -0.201 4.539 4.740 0.000 0.000 0.251 253 N C -1.180 174.353 175.510 0.038 0.000 1.031 253 N CA 1.172 54.246 53.050 0.040 0.000 0.720 253 N CB -0.883 37.614 38.487 0.017 0.000 0.930 253 N HN 0.714 nan 8.380 nan 0.000 0.543 254 A N -0.173 122.678 122.820 0.052 0.000 2.313 254 A HA 0.758 5.078 4.320 0.000 0.000 0.323 254 A C -0.034 177.551 177.584 0.002 0.000 1.133 254 A CA -0.521 51.538 52.037 0.036 0.000 0.847 254 A CB 1.438 20.473 19.000 0.059 0.000 1.308 254 A HN 0.208 nan 8.150 nan 0.000 0.475 255 Q N 0.623 120.418 119.800 -0.008 0.000 2.616 255 Q HA 0.342 4.682 4.340 0.000 0.000 0.250 255 Q C -2.285 173.696 176.000 -0.032 0.000 0.991 255 Q CA -1.825 53.962 55.803 -0.028 0.000 0.707 255 Q CB 1.445 30.172 28.738 -0.019 0.000 1.247 255 Q HN 0.422 nan 8.270 nan 0.000 0.491 256 P HA -0.217 nan 4.420 nan 0.000 0.217 256 P C 0.546 177.826 177.300 -0.033 0.000 1.151 256 P CA 1.597 64.658 63.100 -0.065 0.000 0.849 256 P CB 0.207 31.827 31.700 -0.133 0.000 0.787 257 D N -1.446 118.937 120.400 -0.028 0.000 2.371 257 D HA -0.104 4.537 4.640 0.000 0.000 0.221 257 D C 1.169 177.490 176.300 0.036 0.000 0.986 257 D CA 1.250 55.249 54.000 -0.002 0.000 0.899 257 D CB -1.474 39.323 40.800 -0.005 0.000 0.902 257 D HN 0.218 nan 8.370 nan 0.000 0.530 258 T N -2.407 112.165 114.554 0.031 0.000 3.129 258 T HA 0.144 4.495 4.350 0.000 0.000 0.251 258 T C 1.283 176.037 174.700 0.089 0.000 1.117 258 T CA -0.048 62.089 62.100 0.061 0.000 1.034 258 T CB -0.247 68.620 68.868 -0.000 0.000 0.968 258 T HN 0.203 nan 8.240 nan 0.000 0.526 259 L N 0.591 121.843 121.223 0.047 0.000 3.289 259 L HA 0.368 4.709 4.340 0.000 0.000 0.291 259 L C 0.798 177.675 176.870 0.011 0.000 1.279 259 L CA -0.330 54.525 54.840 0.025 0.000 1.025 259 L CB 0.545 42.618 42.059 0.024 0.000 1.413 259 L HN -0.052 nan 8.230 nan 0.000 0.593 260 D N 1.694 122.098 120.400 0.008 0.000 2.126 260 D HA -0.251 4.389 4.640 0.000 0.000 0.190 260 D C 2.147 178.446 176.300 -0.001 0.000 1.001 260 D CA 1.946 55.943 54.000 -0.004 0.000 0.841 260 D CB 0.211 40.998 40.800 -0.022 0.000 0.949 260 D HN 0.414 nan 8.370 nan 0.000 0.446 261 A N 0.295 123.100 122.820 -0.026 0.000 1.930 261 A HA -0.094 4.226 4.320 0.000 0.000 0.217 261 A C 2.554 180.160 177.584 0.037 0.000 1.175 261 A CA 1.098 53.137 52.037 0.004 0.000 0.627 261 A CB -0.624 18.367 19.000 -0.015 0.000 0.815 261 A HN 0.157 nan 8.150 nan 0.000 0.443 262 V N 0.255 120.142 119.914 -0.045 0.000 2.307 262 V HA -0.236 3.885 4.120 0.000 0.000 0.245 262 V C 2.550 178.747 176.094 0.172 0.000 1.045 262 V CA 1.897 64.206 62.300 0.015 0.000 1.024 262 V CB -0.684 31.124 31.823 -0.024 0.000 0.651 262 V HN 0.572 nan 8.190 nan 0.000 0.449 263 L N -0.026 121.263 121.223 0.111 0.000 2.093 263 L HA -0.127 4.214 4.340 0.000 0.000 0.208 263 L C 2.705 179.645 176.870 0.117 0.000 1.085 263 L CA 1.470 56.380 54.840 0.117 0.000 0.755 263 L CB -0.825 41.273 42.059 0.065 0.000 0.904 263 L HN 0.369 nan 8.230 nan 0.000 0.435 264 A N 0.120 122.996 122.820 0.093 0.000 1.930 264 A HA -0.225 4.095 4.320 0.000 0.000 0.217 264 A C 2.308 179.961 177.584 0.114 0.000 1.175 264 A CA 1.757 53.844 52.037 0.083 0.000 0.627 264 A CB -0.314 18.720 19.000 0.056 0.000 0.815 264 A HN 0.185 nan 8.150 nan 0.000 0.443 265 K N -0.029 120.465 120.400 0.156 0.000 2.155 265 K HA 0.092 4.413 4.320 0.000 0.000 0.203 265 K C 1.672 178.453 176.600 0.302 0.000 1.052 265 K CA 1.051 57.454 56.287 0.194 0.000 0.948 265 K CB -0.487 32.099 32.500 0.144 0.000 0.728 265 K HN 0.475 nan 8.250 nan 0.000 0.448 266 L N -0.202 121.223 121.223 0.337 0.000 2.093 266 L HA -0.081 4.259 4.340 0.000 0.000 0.208 266 L C 2.376 179.340 176.870 0.158 0.000 1.085 266 L CA 1.135 56.134 54.840 0.265 0.000 0.755 266 L CB -0.241 41.954 42.059 0.226 0.000 0.904 266 L HN 0.111 nan 8.230 nan 0.000 0.435 267 R N 0.043 120.623 120.500 0.134 0.000 2.096 267 R HA -0.165 4.176 4.340 0.000 0.000 0.235 267 R C 2.125 178.479 176.300 0.089 0.000 1.127 267 R CA 1.282 57.440 56.100 0.098 0.000 0.968 267 R CB -0.169 30.180 30.300 0.081 0.000 0.861 267 R HN 0.420 nan 8.270 nan 0.000 0.440 268 E N 0.103 120.361 120.200 0.096 0.000 2.153 268 E HA -0.140 4.211 4.350 0.000 0.000 0.194 268 E C 1.546 178.193 176.600 0.078 0.000 0.988 268 E CA 1.066 57.512 56.400 0.077 0.000 0.811 268 E CB 0.008 29.750 29.700 0.071 0.000 0.746 268 E HN 0.344 nan 8.360 nan 0.000 0.466 269 A N 0.073 122.953 122.820 0.100 0.000 2.238 269 A HA 0.257 4.578 4.320 0.000 0.000 0.208 269 A C 1.612 179.232 177.584 0.061 0.000 1.177 269 A CA 0.804 52.888 52.037 0.078 0.000 0.804 269 A CB -0.203 18.848 19.000 0.085 0.000 0.823 269 A HN 0.333 nan 8.150 nan 0.000 0.482 270 G N -2.336 106.505 108.800 0.068 0.000 2.163 270 G HA2 0.141 4.101 3.960 0.000 0.000 0.213 270 G HA3 0.141 4.101 3.960 0.000 0.000 0.213 270 G C 0.364 175.313 174.900 0.082 0.000 0.991 270 G CA 0.108 45.249 45.100 0.067 0.000 0.653 270 G HN 1.510 nan 8.290 nan 0.000 0.518 271 A N 0.074 122.943 122.820 0.081 0.000 2.371 271 A HA 0.565 4.886 4.320 0.000 0.000 0.257 271 A C 0.119 177.764 177.584 0.101 0.000 1.089 271 A CA 0.529 52.615 52.037 0.082 0.000 0.794 271 A CB 0.614 19.657 19.000 0.072 0.000 1.029 271 A HN 0.496 nan 8.150 nan 0.000 0.488 272 D N 1.809 122.277 120.400 0.113 0.000 2.396 272 D HA 0.483 5.123 4.640 0.000 0.000 0.225 272 D C -0.704 175.658 176.300 0.103 0.000 1.121 272 D CA 0.063 54.147 54.000 0.139 0.000 0.853 272 D CB 0.099 41.053 40.800 0.257 0.000 1.043 272 D HN 0.341 nan 8.370 nan 0.000 0.500 273 I N 2.981 123.611 120.570 0.100 0.000 2.474 273 I HA 0.355 4.526 4.170 0.000 0.000 0.294 273 I C 0.267 176.444 176.117 0.099 0.000 1.005 273 I CA -0.736 60.622 61.300 0.097 0.000 1.113 273 I CB 1.777 39.826 38.000 0.081 0.000 1.289 273 I HN 0.259 nan 8.210 nan 0.000 0.436 274 E N 3.487 123.769 120.200 0.136 0.000 2.312 274 E HA 0.632 4.982 4.350 0.000 0.000 0.267 274 E C -1.091 175.479 176.600 -0.050 0.000 0.894 274 E CA -0.885 55.590 56.400 0.125 0.000 0.773 274 E CB 2.673 32.553 29.700 0.300 0.000 1.241 274 E HN 0.642 nan 8.360 nan 0.000 0.432 275 T N -1.592 112.746 114.554 -0.359 0.000 2.896 275 T HA 0.778 5.128 4.350 0.000 0.000 0.297 275 T C 0.043 173.954 174.700 -1.315 0.000 1.108 275 T CA -0.747 60.850 62.100 -0.838 0.000 1.004 275 T CB 1.927 70.540 68.868 -0.426 0.000 1.159 275 T HN 0.544 nan 8.240 nan 0.000 0.499 276 G N 0.064 107.716 108.800 -1.914 0.000 3.211 276 G HA2 0.501 4.461 3.960 0.000 0.000 0.262 276 G HA3 0.501 4.461 3.960 0.000 0.000 0.262 276 G C 0.322 174.828 174.900 -0.658 0.000 1.352 276 G CA -0.359 43.951 45.100 -1.317 0.000 1.004 276 G HN 0.764 nan 8.290 nan 0.000 0.559 277 E N -0.400 119.626 120.200 -0.291 0.000 2.110 277 E HA -0.110 4.241 4.350 0.000 0.000 0.193 277 E C 0.965 177.490 176.600 -0.126 0.000 0.988 277 E CA 2.160 58.475 56.400 -0.141 0.000 0.804 277 E CB 0.123 29.808 29.700 -0.025 0.000 0.745 277 E HN 0.449 nan 8.360 nan 0.000 0.458 278 D N -0.969 119.383 120.400 -0.079 0.000 2.760 278 D HA 0.076 4.716 4.640 0.000 0.000 0.314 278 D C -0.511 175.863 176.300 0.124 0.000 1.464 278 D CA -0.588 53.423 54.000 0.019 0.000 0.797 278 D CB -0.834 40.011 40.800 0.075 0.000 1.149 278 D HN 0.337 nan 8.370 nan 0.000 0.455 279 W N -0.098 121.204 121.300 0.003 0.000 3.137 279 W HA 0.667 5.327 4.660 0.000 0.000 0.324 279 W C -2.148 174.380 176.519 0.013 0.000 1.253 279 W CA -1.313 56.035 57.345 0.005 0.000 1.183 279 W CB 0.432 29.891 29.460 -0.001 0.000 1.424 279 W HN -0.289 nan 8.180 nan 0.000 0.566 280 I N 3.043 123.786 120.570 0.289 0.000 2.569 280 I HA 0.301 4.471 4.170 0.000 0.000 0.290 280 I C -0.072 176.269 176.117 0.373 0.000 1.088 280 I CA -0.673 60.728 61.300 0.167 0.000 1.047 280 I CB 2.541 40.587 38.000 0.077 0.000 1.237 280 I HN 0.446 nan 8.210 nan 0.000 0.421 281 S N 6.760 122.710 115.700 0.417 0.000 2.532 281 S HA 0.855 5.326 4.470 0.000 0.000 0.301 281 S C -0.936 173.766 174.600 0.171 0.000 1.083 281 S CA -0.761 57.614 58.200 0.293 0.000 1.025 281 S CB 2.342 65.723 63.200 0.302 0.000 1.056 281 S HN 0.616 nan 8.310 nan 0.000 0.494 282 L N 1.916 123.200 121.223 0.102 0.000 2.410 282 L HA 0.688 5.029 4.340 0.000 0.000 0.270 282 L C -1.961 174.908 176.870 -0.001 0.000 0.983 282 L CA -0.268 54.608 54.840 0.061 0.000 0.822 282 L CB 1.955 44.053 42.059 0.064 0.000 1.285 282 L HN 0.839 nan 8.230 nan 0.000 0.409 283 D N 4.768 125.138 120.400 -0.051 0.000 2.788 283 D HA 0.302 4.942 4.640 0.000 0.000 0.247 283 D C 0.215 176.396 176.300 -0.198 0.000 1.236 283 D CA -0.434 53.449 54.000 -0.196 0.000 0.898 283 D CB 1.774 42.349 40.800 -0.376 0.000 1.401 283 D HN 0.449 nan 8.370 nan 0.000 0.549 284 M N 1.700 121.219 119.600 -0.135 0.000 2.556 284 M HA 0.037 4.517 4.480 0.000 0.000 0.245 284 M C 0.222 176.546 176.300 0.040 0.000 1.128 284 M CA 0.225 55.510 55.300 -0.025 0.000 1.069 284 M CB -0.777 31.820 32.600 -0.004 0.000 1.469 284 M HN 0.505 nan 8.290 nan 0.000 0.494 285 H N 0.175 119.255 119.070 0.017 0.000 2.741 285 H HA -0.167 4.390 4.556 0.001 0.000 0.305 285 H C 1.341 176.675 175.328 0.010 0.000 1.169 285 H CA 0.894 56.950 56.048 0.014 0.000 1.144 285 H CB -2.101 27.671 29.762 0.016 0.000 1.397 285 H HN 0.657 nan 8.280 nan 0.000 0.409 286 G N -0.554 108.279 108.800 0.056 0.000 2.175 286 G HA2 -0.342 3.619 3.960 0.000 0.000 0.265 286 G HA3 -0.342 3.619 3.960 0.000 0.000 0.265 286 G C 0.360 175.284 174.900 0.040 0.000 0.979 286 G CA 0.898 46.022 45.100 0.039 0.000 0.663 286 G HN 0.377 nan 8.290 nan 0.000 0.533 287 K N 0.172 120.604 120.400 0.054 0.000 2.118 287 K HA 0.438 4.758 4.320 0.000 0.000 0.267 287 K C 0.729 177.344 176.600 0.026 0.000 0.991 287 K CA -0.923 55.389 56.287 0.043 0.000 0.916 287 K CB 1.307 33.843 32.500 0.060 0.000 1.041 287 K HN 0.445 nan 8.250 nan 0.000 0.455 288 R N 2.739 123.249 120.500 0.018 0.000 2.594 288 R HA 0.130 4.470 4.340 0.000 0.000 0.272 288 R C -1.993 174.313 176.300 0.011 0.000 1.074 288 R CA -0.920 55.184 56.100 0.008 0.000 1.105 288 R CB 0.255 30.558 30.300 0.005 0.000 1.008 288 R HN 0.328 nan 8.270 nan 0.000 0.472 289 P HA 0.112 nan 4.420 nan 0.000 0.274 289 P C -1.303 176.005 177.300 0.013 0.000 1.246 289 P CA -0.153 62.951 63.100 0.006 0.000 0.795 289 P CB 0.677 32.368 31.700 -0.014 0.000 1.006 290 K N 0.430 120.844 120.400 0.024 0.000 2.159 290 K HA 0.545 4.865 4.320 0.000 0.000 0.266 290 K C 0.072 176.689 176.600 0.028 0.000 0.975 290 K CA -0.783 55.519 56.287 0.026 0.000 0.865 290 K CB 1.586 34.104 32.500 0.031 0.000 1.087 290 K HN 0.546 nan 8.250 nan 0.000 0.446 291 A N 2.029 124.862 122.820 0.022 0.000 2.531 291 A HA 0.301 4.621 4.320 0.000 0.000 0.236 291 A C 0.356 177.955 177.584 0.025 0.000 1.062 291 A CA -0.238 51.810 52.037 0.019 0.000 0.760 291 A CB -0.092 18.913 19.000 0.007 0.000 0.995 291 A HN 0.538 nan 8.150 nan 0.000 0.501 292 V N -0.376 119.557 119.914 0.031 0.000 3.074 292 V HA 0.830 4.950 4.120 0.000 0.000 0.314 292 V C -0.034 176.052 176.094 -0.014 0.000 1.117 292 V CA -0.685 61.631 62.300 0.026 0.000 1.014 292 V CB 1.632 33.501 31.823 0.076 0.000 1.057 292 V HN 0.773 nan 8.190 nan 0.000 0.438 293 T N 1.994 116.524 114.554 -0.040 0.000 2.799 293 T HA 0.692 5.042 4.350 0.000 0.000 0.286 293 T C -0.437 174.172 174.700 -0.151 0.000 0.973 293 T CA -0.247 61.808 62.100 -0.075 0.000 1.035 293 T CB 1.258 70.092 68.868 -0.057 0.000 0.932 293 T HN 0.727 nan 8.240 nan 0.000 0.469 294 V N 4.004 123.792 119.914 -0.210 0.000 2.656 294 V HA 0.629 4.749 4.120 0.000 0.000 0.307 294 V C -0.125 175.798 176.094 -0.284 0.000 1.051 294 V CA -0.966 61.081 62.300 -0.421 0.000 0.893 294 V CB 1.999 33.437 31.823 -0.642 0.000 0.999 294 V HN 0.758 nan 8.190 nan 0.000 0.426 295 R N 2.634 122.972 120.500 -0.271 0.000 2.500 295 R HA 0.506 4.846 4.340 0.000 0.000 0.299 295 R C -0.161 176.128 176.300 -0.019 0.000 1.038 295 R CA -0.297 55.744 56.100 -0.099 0.000 0.903 295 R CB 1.697 31.967 30.300 -0.051 0.000 1.177 295 R HN 0.912 nan 8.270 nan 0.000 0.455 296 T N 1.146 115.738 114.554 0.064 0.000 2.918 296 T HA 0.712 5.062 4.350 0.000 0.000 0.302 296 T C 0.092 174.853 174.700 0.101 0.000 1.045 296 T CA -0.178 62.036 62.100 0.190 0.000 1.114 296 T CB 1.611 70.607 68.868 0.214 0.000 0.965 296 T HN 0.679 nan 8.240 nan 0.000 0.540 297 A N 2.931 125.808 122.820 0.095 0.000 2.566 297 A HA 0.742 5.062 4.320 0.000 0.000 0.290 297 A C -3.158 174.442 177.584 0.026 0.000 1.071 297 A CA -1.738 50.320 52.037 0.035 0.000 0.658 297 A CB 0.321 19.335 19.000 0.023 0.000 1.285 297 A HN 0.655 nan 8.150 nan 0.000 0.427 298 P HA 0.241 nan 4.420 nan 0.000 0.267 298 P C -0.344 176.975 177.300 0.032 0.000 1.200 298 P CA 0.419 63.532 63.100 0.021 0.000 0.772 298 P CB 0.150 31.854 31.700 0.006 0.000 0.855 299 H N 4.823 123.884 119.070 -0.015 0.000 3.016 299 H HA -0.001 4.555 4.556 0.001 0.000 0.345 299 H C -1.101 174.220 175.328 -0.012 0.000 1.066 299 H CA -0.561 55.476 56.048 -0.019 0.000 1.390 299 H CB 0.295 30.046 29.762 -0.018 0.000 1.344 299 H HN 0.344 nan 8.280 nan 0.000 0.605 300 P HA 0.095 nan 4.420 nan 0.000 0.253 300 P C -0.309 176.715 177.300 -0.460 0.000 1.281 300 P CA 0.313 62.761 63.100 -1.087 0.000 0.792 300 P CB -0.027 31.271 31.700 -0.670 0.000 1.193 301 A N 0.419 123.106 122.820 -0.222 0.000 2.251 301 A HA 0.271 4.591 4.320 0.000 0.000 0.278 301 A C -0.204 177.358 177.584 -0.036 0.000 1.206 301 A CA -0.576 51.413 52.037 -0.079 0.000 0.822 301 A CB -0.580 18.409 19.000 -0.019 0.000 1.187 301 A HN 0.150 nan 8.150 nan 0.000 0.504 302 F N 1.628 121.526 119.950 -0.087 0.000 2.578 302 F HA 0.279 4.806 4.527 0.000 0.000 0.381 302 F C -1.651 174.121 175.800 -0.047 0.000 1.069 302 F CA -1.386 56.556 58.000 -0.097 0.000 1.231 302 F CB 0.634 39.546 39.000 -0.147 0.000 1.086 302 F HN 0.250 nan 8.300 nan 0.000 0.564 303 P HA 0.001 nan 4.420 nan 0.000 0.281 303 P C 0.245 177.539 177.300 -0.009 0.000 1.252 303 P CA -0.131 62.849 63.100 -0.200 0.000 0.778 303 P CB 1.582 33.145 31.700 -0.228 0.000 0.895 304 T N 1.244 115.879 114.554 0.134 0.000 2.881 304 T HA -0.120 4.230 4.350 0.000 0.000 0.270 304 T C 0.973 175.783 174.700 0.183 0.000 1.068 304 T CA 1.517 63.753 62.100 0.226 0.000 1.131 304 T CB -0.652 68.388 68.868 0.288 0.000 0.871 304 T HN 0.284 nan 8.240 nan 0.000 0.479 305 D N 0.477 120.942 120.400 0.108 0.000 2.371 305 D HA 0.044 4.685 4.640 0.000 0.000 0.221 305 D C 1.285 177.631 176.300 0.075 0.000 0.986 305 D CA 0.519 54.563 54.000 0.072 0.000 0.899 305 D CB 0.062 40.885 40.800 0.038 0.000 0.902 305 D HN 0.406 nan 8.370 nan 0.000 0.530 306 M N -0.156 119.496 119.600 0.088 0.000 2.333 306 M HA 0.061 4.542 4.480 0.000 0.000 0.257 306 M C 1.633 178.197 176.300 0.440 0.000 1.078 306 M CA 0.103 55.525 55.300 0.203 0.000 1.005 306 M CB 0.389 33.014 32.600 0.040 0.000 1.444 306 M HN -0.010 nan 8.290 nan 0.000 0.496 307 Q N 1.077 121.104 119.800 0.378 0.000 2.050 307 Q HA -0.101 4.240 4.340 0.000 0.000 0.202 307 Q C 1.744 177.892 176.000 0.248 0.000 0.980 307 Q CA 2.056 58.089 55.803 0.383 0.000 0.840 307 Q CB 0.099 29.037 28.738 0.333 0.000 0.898 307 Q HN 0.452 nan 8.270 nan 0.000 0.424 308 A N 0.616 123.445 122.820 0.015 0.000 1.933 308 A HA -0.244 4.076 4.320 0.000 0.000 0.218 308 A C 1.990 179.518 177.584 -0.093 0.000 1.175 308 A CA 1.766 53.568 52.037 -0.391 0.000 0.628 308 A CB -0.477 18.132 19.000 -0.652 0.000 0.814 308 A HN 0.482 nan 8.150 nan 0.000 0.444 309 Q N -1.300 118.533 119.800 0.055 0.000 2.119 309 Q HA -0.029 4.312 4.340 0.000 0.000 0.201 309 Q C 1.589 177.619 176.000 0.050 0.000 0.972 309 Q CA 1.530 57.359 55.803 0.043 0.000 0.847 309 Q CB -0.409 28.367 28.738 0.063 0.000 0.903 309 Q HN 0.692 nan 8.270 nan 0.000 0.433 310 F N -0.035 119.978 119.950 0.106 0.000 2.456 310 F HA -0.064 4.463 4.527 0.000 0.000 0.298 310 F C 2.107 177.936 175.800 0.048 0.000 1.104 310 F CA 1.006 59.062 58.000 0.093 0.000 1.435 310 F CB -0.289 38.786 39.000 0.125 0.000 1.078 310 F HN 0.007 nan 8.300 nan 0.000 0.546 311 T N 0.614 115.306 114.554 0.230 0.000 2.708 311 T HA -0.204 4.146 4.350 0.000 0.000 0.266 311 T C 2.038 176.798 174.700 0.101 0.000 1.037 311 T CA 1.393 63.598 62.100 0.175 0.000 1.146 311 T CB -0.549 68.523 68.868 0.340 0.000 0.865 311 T HN 0.147 nan 8.240 nan 0.000 0.435 312 L N 1.264 122.535 121.223 0.080 0.000 2.046 312 L HA 0.057 4.397 4.340 0.000 0.000 0.208 312 L C 2.211 179.066 176.870 -0.025 0.000 1.077 312 L CA 1.491 56.345 54.840 0.023 0.000 0.747 312 L CB -0.901 41.155 42.059 -0.005 0.000 0.896 312 L HN 0.272 nan 8.230 nan 0.000 0.432 313 L N -0.413 120.769 121.223 -0.069 0.000 2.012 313 L HA -0.265 4.076 4.340 0.000 0.000 0.210 313 L C 2.233 179.078 176.870 -0.042 0.000 1.073 313 L CA 1.836 56.614 54.840 -0.104 0.000 0.748 313 L CB -0.566 41.350 42.059 -0.238 0.000 0.891 313 L HN 0.380 nan 8.230 nan 0.000 0.431 314 N N -0.058 118.639 118.700 -0.005 0.000 2.223 314 N HA -0.142 4.598 4.740 0.000 0.000 0.185 314 N C 1.784 177.283 175.510 -0.018 0.000 1.016 314 N CA 1.346 54.394 53.050 -0.003 0.000 0.863 314 N CB -0.333 38.153 38.487 -0.002 0.000 0.983 314 N HN 0.388 nan 8.380 nan 0.000 0.429 315 L N 0.339 121.552 121.223 -0.017 0.000 2.465 315 L HA -0.019 4.322 4.340 0.000 0.000 0.224 315 L C 1.374 178.224 176.870 -0.034 0.000 1.145 315 L CA 0.474 55.299 54.840 -0.024 0.000 0.834 315 L CB -0.028 42.020 42.059 -0.017 0.000 0.944 315 L HN 0.066 nan 8.230 nan 0.000 0.451 316 V N -4.692 115.203 119.914 -0.031 0.000 3.276 316 V HA 0.520 4.640 4.120 0.000 0.000 0.319 316 V C 0.805 176.885 176.094 -0.023 0.000 1.427 316 V CA -0.256 62.023 62.300 -0.034 0.000 1.102 316 V CB -0.341 31.460 31.823 -0.037 0.000 1.020 316 V HN 0.103 nan 8.190 nan 0.000 0.456 317 A N 0.464 123.274 122.820 -0.015 0.000 2.246 317 A HA 0.672 4.993 4.320 0.000 0.000 0.291 317 A C 0.091 177.679 177.584 0.005 0.000 1.103 317 A CA -0.602 51.432 52.037 -0.005 0.000 0.844 317 A CB 0.373 19.373 19.000 -0.000 0.000 1.136 317 A HN 0.560 nan 8.150 nan 0.000 0.500 318 E N -0.131 120.076 120.200 0.011 0.000 2.089 318 E HA 0.476 4.826 4.350 0.000 0.000 0.284 318 E C 0.251 176.865 176.600 0.023 0.000 1.023 318 E CA 0.575 56.986 56.400 0.018 0.000 0.819 318 E CB 0.800 30.511 29.700 0.018 0.000 1.076 318 E HN 1.226 nan 8.360 nan 0.000 0.396 319 G N 2.249 111.069 108.800 0.033 0.000 2.479 319 G HA2 -0.146 3.815 3.960 0.000 0.000 0.686 319 G HA3 -0.146 3.815 3.960 0.000 0.000 0.686 319 G C -0.608 174.318 174.900 0.042 0.000 1.295 319 G CA -1.083 44.040 45.100 0.038 0.000 0.922 319 G HN 0.355 nan 8.290 nan 0.000 0.582 320 T N 0.773 115.353 114.554 0.043 0.000 2.771 320 T HA 0.711 5.062 4.350 0.000 0.000 0.281 320 T C 0.628 175.307 174.700 -0.034 0.000 0.982 320 T CA 0.495 62.602 62.100 0.012 0.000 0.978 320 T CB 1.411 70.334 68.868 0.092 0.000 0.930 320 T HN 1.555 nan 8.240 nan 0.000 0.447 321 G N 1.331 110.083 108.800 -0.081 0.000 2.519 321 G HA2 0.651 4.611 3.960 0.000 0.000 0.307 321 G HA3 0.651 4.611 3.960 0.000 0.000 0.307 321 G C -1.397 173.441 174.900 -0.103 0.000 1.266 321 G CA -0.546 44.514 45.100 -0.066 0.000 0.970 321 G HN 0.654 nan 8.290 nan 0.000 0.481 322 V N 2.186 122.051 119.914 -0.083 0.000 2.495 322 V HA 0.436 4.556 4.120 0.000 0.000 0.298 322 V C -0.527 175.518 176.094 -0.081 0.000 1.031 322 V CA -0.845 61.399 62.300 -0.093 0.000 0.871 322 V CB 1.640 33.420 31.823 -0.071 0.000 0.988 322 V HN 0.548 nan 8.190 nan 0.000 0.432 323 I N 3.577 124.097 120.570 -0.082 0.000 2.339 323 I HA 0.444 4.614 4.170 0.000 0.000 0.290 323 I C 0.233 176.368 176.117 0.030 0.000 0.994 323 I CA 0.031 61.308 61.300 -0.039 0.000 1.191 323 I CB 1.516 39.520 38.000 0.005 0.000 1.343 323 I HN 0.548 nan 8.210 nan 0.000 0.458 324 T N 5.122 119.704 114.554 0.047 0.000 2.792 324 T HA 0.305 4.656 4.350 0.000 0.000 0.280 324 T C -0.204 174.582 174.700 0.144 0.000 0.990 324 T CA -0.496 61.669 62.100 0.109 0.000 0.960 324 T CB 1.774 70.668 68.868 0.043 0.000 0.939 324 T HN 0.405 nan 8.240 nan 0.000 0.439 325 E N 1.885 122.216 120.200 0.217 0.000 2.092 325 E HA 0.378 4.729 4.350 0.000 0.000 0.271 325 E C 0.957 177.594 176.600 0.062 0.000 0.919 325 E CA -0.585 55.899 56.400 0.141 0.000 0.760 325 E CB 0.798 30.540 29.700 0.070 0.000 1.106 325 E HN 0.661 nan 8.360 nan 0.000 0.408 326 T N 2.076 116.651 114.554 0.035 0.000 3.014 326 T HA 0.119 4.469 4.350 0.000 0.000 0.250 326 T C 1.355 176.013 174.700 -0.069 0.000 1.060 326 T CA 0.016 62.111 62.100 -0.008 0.000 1.040 326 T CB 0.019 68.882 68.868 -0.008 0.000 0.971 326 T HN 0.387 nan 8.240 nan 0.000 0.497 327 I N 0.094 120.605 120.570 -0.098 0.000 2.339 327 I HA 0.284 4.454 4.170 0.000 0.000 0.245 327 I C 0.192 175.994 176.117 -0.525 0.000 1.096 327 I CA 0.612 61.720 61.300 -0.320 0.000 1.408 327 I CB -0.713 37.086 38.000 -0.336 0.000 1.092 327 I HN 0.224 nan 8.210 nan 0.000 0.423 328 F N 1.228 121.142 119.950 -0.060 0.000 2.769 328 F HA 0.307 4.834 4.527 0.000 0.000 0.358 328 F C 0.851 176.551 175.800 -0.167 0.000 1.285 328 F CA -0.615 57.328 58.000 -0.095 0.000 1.199 328 F CB 0.152 39.095 39.000 -0.095 0.000 1.558 328 F HN -0.042 nan 8.300 nan 0.000 0.583 329 E N 0.744 120.935 120.200 -0.016 0.000 2.412 329 E HA -0.166 4.184 4.350 0.000 0.000 0.207 329 E C 0.084 176.568 176.600 -0.194 0.000 1.252 329 E CA 0.521 56.873 56.400 -0.080 0.000 1.004 329 E CB -0.680 29.009 29.700 -0.018 0.000 1.027 329 E HN 0.737 nan 8.360 nan 0.000 0.517 330 N N -0.489 118.031 118.700 -0.300 0.000 2.361 330 N HA 0.003 4.743 4.740 0.000 0.000 0.253 330 N C -0.089 175.189 175.510 -0.387 0.000 1.413 330 N CA -0.449 52.407 53.050 -0.323 0.000 0.821 330 N CB 0.262 38.689 38.487 -0.100 0.000 1.380 330 N HN -0.098 nan 8.380 nan 0.000 0.493 331 R N 0.893 121.045 120.500 -0.581 0.000 4.231 331 R HA 0.318 4.658 4.340 0.000 0.000 0.250 331 R C -0.950 175.264 176.300 -0.143 0.000 1.600 331 R CA -0.305 55.622 56.100 -0.288 0.000 1.523 331 R CB -0.539 29.662 30.300 -0.165 0.000 1.422 331 R HN 0.314 nan 8.270 nan 0.000 0.759 332 F N 0.691 120.683 119.950 0.070 0.000 2.735 332 F HA 0.152 4.679 4.527 0.000 0.000 0.304 332 F C 1.206 176.896 175.800 -0.184 0.000 1.119 332 F CA -0.809 57.142 58.000 -0.083 0.000 1.280 332 F CB 0.774 39.700 39.000 -0.125 0.000 0.994 332 F HN 0.198 nan 8.300 nan 0.000 0.520 333 M N 0.101 119.786 119.600 0.141 0.000 2.446 333 M HA -0.146 4.334 4.480 0.000 0.000 0.263 333 M C 2.369 178.713 176.300 0.073 0.000 1.066 333 M CA 1.334 56.677 55.300 0.073 0.000 1.087 333 M CB -1.330 31.299 32.600 0.049 0.000 1.406 333 M HN 0.372 nan 8.290 nan 0.000 0.459 334 H N -1.072 118.039 119.070 0.069 0.000 2.457 334 H HA 0.061 4.617 4.556 0.000 0.000 0.294 334 H C 2.045 177.399 175.328 0.044 0.000 1.064 334 H CA 0.983 57.059 56.048 0.047 0.000 1.330 334 H CB -1.323 28.471 29.762 0.054 0.000 1.395 334 H HN 0.209 nan 8.280 nan 0.000 0.541 335 V N 3.111 122.798 119.914 -0.378 0.000 2.261 335 V HA -0.170 3.951 4.120 0.000 0.000 0.246 335 V C -0.067 175.973 176.094 -0.089 0.000 1.047 335 V CA 2.317 64.465 62.300 -0.253 0.000 1.015 335 V CB -1.360 30.264 31.823 -0.331 0.000 0.642 335 V HN 0.429 nan 8.190 nan 0.000 0.446 336 P HA -0.148 nan 4.420 nan 0.000 0.218 336 P C 1.346 178.646 177.300 -0.000 0.000 1.149 336 P CA 1.315 64.404 63.100 -0.019 0.000 0.817 336 P CB 0.024 31.719 31.700 -0.008 0.000 0.785 337 E N 0.135 120.340 120.200 0.009 0.000 2.072 337 E HA -0.053 4.297 4.350 0.000 0.000 0.191 337 E C 2.336 178.950 176.600 0.022 0.000 0.985 337 E CA 0.776 57.188 56.400 0.021 0.000 0.801 337 E CB -0.781 28.939 29.700 0.034 0.000 0.750 337 E HN 0.346 nan 8.360 nan 0.000 0.452 338 L N 0.523 121.761 121.223 0.025 0.000 2.141 338 L HA -0.108 4.233 4.340 0.000 0.000 0.209 338 L C 2.497 179.373 176.870 0.011 0.000 1.094 338 L CA 0.654 55.507 54.840 0.021 0.000 0.763 338 L CB -0.331 41.748 42.059 0.034 0.000 0.908 338 L HN 0.074 nan 8.230 nan 0.000 0.437 339 I N -0.478 120.099 120.570 0.012 0.000 2.286 339 I HA -0.262 3.909 4.170 0.000 0.000 0.248 339 I C 2.550 178.685 176.117 0.030 0.000 1.115 339 I CA 1.159 62.477 61.300 0.030 0.000 1.392 339 I CB -0.258 37.760 38.000 0.030 0.000 1.065 339 I HN 0.202 nan 8.210 nan 0.000 0.418 340 R N 0.233 120.745 120.500 0.021 0.000 2.237 340 R HA -0.028 4.312 4.340 0.000 0.000 0.219 340 R C 1.674 177.983 176.300 0.015 0.000 1.080 340 R CA 0.906 57.018 56.100 0.019 0.000 0.995 340 R CB -0.122 30.188 30.300 0.017 0.000 0.875 340 R HN 0.387 nan 8.270 nan 0.000 0.462 341 M N -0.783 118.823 119.600 0.010 0.000 2.453 341 M HA 0.172 4.652 4.480 0.000 0.000 0.239 341 M C 0.638 176.931 176.300 -0.013 0.000 1.151 341 M CA 0.302 55.602 55.300 0.001 0.000 0.989 341 M CB 1.321 33.920 32.600 -0.000 0.000 1.548 341 M HN 0.376 nan 8.290 nan 0.000 0.479 342 G N 0.297 109.092 108.800 -0.008 0.000 2.179 342 G HA2 -0.160 3.800 3.960 0.000 0.000 0.220 342 G HA3 -0.160 3.800 3.960 0.000 0.000 0.220 342 G C 0.192 175.018 174.900 -0.123 0.000 0.990 342 G CA -0.118 44.959 45.100 -0.038 0.000 0.646 342 G HN 0.636 nan 8.290 nan 0.000 0.517 343 A N -0.021 122.759 122.820 -0.067 0.000 2.366 343 A HA 0.678 4.998 4.320 0.000 0.000 0.249 343 A C -0.003 177.611 177.584 0.049 0.000 1.084 343 A CA 0.164 52.149 52.037 -0.087 0.000 0.794 343 A CB 0.272 19.257 19.000 -0.025 0.000 1.034 343 A HN 0.653 nan 8.150 nan 0.000 0.491 344 H N -0.191 118.901 119.070 0.037 0.000 2.708 344 H HA 0.586 5.142 4.556 0.000 0.000 0.320 344 H C -0.149 175.246 175.328 0.110 0.000 0.991 344 H CA 0.025 56.120 56.048 0.078 0.000 1.243 344 H CB 1.496 31.321 29.762 0.106 0.000 1.446 344 H HN 0.945 nan 8.280 nan 0.000 0.502 345 A N 3.096 126.030 122.820 0.190 0.000 2.604 345 A HA 0.548 4.869 4.320 0.000 0.000 0.295 345 A C -1.372 176.230 177.584 0.030 0.000 1.067 345 A CA -0.944 51.128 52.037 0.058 0.000 0.683 345 A CB 1.788 20.754 19.000 -0.057 0.000 1.281 345 A HN 0.629 nan 8.150 nan 0.000 0.407 346 E N 0.650 120.840 120.200 -0.016 0.000 2.224 346 E HA 0.565 4.915 4.350 0.000 0.000 0.265 346 E C -1.145 175.398 176.600 -0.095 0.000 0.878 346 E CA -0.200 56.186 56.400 -0.024 0.000 0.759 346 E CB 1.928 31.643 29.700 0.026 0.000 1.164 346 E HN 0.523 nan 8.360 nan 0.000 0.414 347 I N 2.930 123.442 120.570 -0.097 0.000 2.337 347 I HA 0.170 4.340 4.170 0.000 0.000 0.291 347 I C -0.142 175.955 176.117 -0.032 0.000 1.046 347 I CA 0.071 61.299 61.300 -0.120 0.000 1.324 347 I CB 0.589 38.550 38.000 -0.066 0.000 1.409 347 I HN 0.369 nan 8.210 nan 0.000 0.494 348 E N 5.259 125.446 120.200 -0.022 0.000 2.244 348 E HA 0.417 4.767 4.350 0.000 0.000 0.260 348 E C -0.149 176.484 176.600 0.056 0.000 0.884 348 E CA -0.289 56.122 56.400 0.018 0.000 0.777 348 E CB 1.907 31.610 29.700 0.004 0.000 1.197 348 E HN 0.684 nan 8.360 nan 0.000 0.416 349 S N 3.474 119.217 115.700 0.073 0.000 3.961 349 S HA -0.254 4.217 4.470 0.000 0.000 0.627 349 S C 0.406 175.102 174.600 0.161 0.000 2.148 349 S CA 1.521 59.773 58.200 0.086 0.000 4.099 349 S CB -0.926 62.311 63.200 0.061 0.000 0.219 349 S HN 0.901 nan 8.310 nan 0.000 0.744 350 N N 2.313 121.110 118.700 0.162 0.000 2.378 350 N HA 0.242 4.982 4.740 0.000 0.000 0.243 350 N C -0.092 175.643 175.510 0.376 0.000 1.137 350 N CA 0.783 53.981 53.050 0.247 0.000 0.862 350 N CB -0.214 38.343 38.487 0.116 0.000 1.116 350 N HN 0.950 nan 8.380 nan 0.000 0.499 351 T N -3.282 111.440 114.554 0.280 0.000 2.903 351 T HA 0.613 4.964 4.350 0.000 0.000 0.299 351 T C -0.925 173.636 174.700 -0.231 0.000 1.093 351 T CA -0.721 61.428 62.100 0.083 0.000 1.002 351 T CB 1.845 70.726 68.868 0.021 0.000 1.127 351 T HN -0.134 nan 8.240 nan 0.000 0.488 352 V N 3.054 122.730 119.914 -0.396 0.000 2.444 352 V HA 0.452 4.572 4.120 0.000 0.000 0.294 352 V C -0.549 175.383 176.094 -0.270 0.000 1.022 352 V CA -1.015 61.001 62.300 -0.473 0.000 0.850 352 V CB 1.369 32.793 31.823 -0.666 0.000 0.992 352 V HN 0.815 nan 8.190 nan 0.000 0.426 353 I N 3.804 124.236 120.570 -0.230 0.000 2.301 353 I HA 0.293 4.464 4.170 0.000 0.000 0.292 353 I C 0.226 176.089 176.117 -0.424 0.000 1.046 353 I CA -0.275 60.869 61.300 -0.261 0.000 1.282 353 I CB 0.628 38.522 38.000 -0.177 0.000 1.409 353 I HN 0.554 nan 8.210 nan 0.000 0.484 354 C N 6.492 125.548 119.300 -0.407 0.000 2.330 354 C HA 0.389 4.850 4.460 0.000 0.000 0.344 354 C C 0.425 175.131 174.990 -0.475 0.000 1.273 354 C CA -0.545 58.262 59.018 -0.352 0.000 1.879 354 C CB -0.135 27.506 27.740 -0.166 0.000 2.376 354 C HN 0.581 nan 8.230 nan 0.000 0.534 355 H N 1.726 120.814 119.070 0.029 0.000 2.718 355 H HA 0.302 4.858 4.556 0.000 0.000 0.295 355 H C 0.576 175.928 175.328 0.040 0.000 1.051 355 H CA -0.034 56.042 56.048 0.048 0.000 1.260 355 H CB 1.061 30.874 29.762 0.086 0.000 1.403 355 H HN 0.925 nan 8.280 nan 0.000 0.488 356 G N 2.132 110.980 108.800 0.079 0.000 2.414 356 G HA2 0.289 4.249 3.960 0.000 0.000 0.236 356 G HA3 0.289 4.249 3.960 0.000 0.000 0.236 356 G C 0.466 175.374 174.900 0.013 0.000 1.293 356 G CA -0.180 44.936 45.100 0.027 0.000 0.869 356 G HN 0.457 nan 8.290 nan 0.000 0.556 357 V N 0.166 120.050 119.914 -0.051 0.000 2.919 357 V HA 0.575 4.695 4.120 0.000 0.000 0.316 357 V C 1.042 177.102 176.094 -0.056 0.000 1.077 357 V CA -0.556 61.693 62.300 -0.085 0.000 0.977 357 V CB 1.982 33.669 31.823 -0.226 0.000 1.039 357 V HN 0.851 nan 8.190 nan 0.000 0.441 358 E N 1.313 121.488 120.200 -0.042 0.000 2.072 358 E HA 0.006 4.357 4.350 0.000 0.000 0.191 358 E C 0.731 177.311 176.600 -0.034 0.000 0.985 358 E CA 1.060 57.443 56.400 -0.028 0.000 0.801 358 E CB 0.245 29.935 29.700 -0.016 0.000 0.750 358 E HN 0.698 nan 8.360 nan 0.000 0.452 359 K N 0.040 120.413 120.400 -0.045 0.000 2.523 359 K HA 0.318 4.638 4.320 0.000 0.000 0.257 359 K C -1.234 175.336 176.600 -0.051 0.000 0.932 359 K CA -0.617 55.646 56.287 -0.040 0.000 0.812 359 K CB 1.336 33.821 32.500 -0.026 0.000 1.326 359 K HN 0.012 nan 8.250 nan 0.000 0.433 360 L N 1.230 122.427 121.223 -0.043 0.000 2.400 360 L HA 0.479 4.819 4.340 0.000 0.000 0.264 360 L C 0.041 176.896 176.870 -0.025 0.000 1.061 360 L CA -0.777 54.038 54.840 -0.041 0.000 0.799 360 L CB 1.849 43.889 42.059 -0.033 0.000 1.240 360 L HN 0.587 nan 8.230 nan 0.000 0.461 361 S N -0.747 114.942 115.700 -0.018 0.000 2.536 361 S HA 0.555 5.025 4.470 0.000 0.000 0.298 361 S C -0.012 174.586 174.600 -0.003 0.000 1.083 361 S CA -0.646 57.548 58.200 -0.009 0.000 0.995 361 S CB 1.887 65.084 63.200 -0.005 0.000 1.058 361 S HN 0.763 nan 8.310 nan 0.000 0.488 362 G N 0.782 109.582 108.800 0.001 0.000 2.544 362 G HA2 0.542 4.503 3.960 0.000 0.000 0.242 362 G HA3 0.542 4.503 3.960 0.000 0.000 0.242 362 G C -0.343 174.562 174.900 0.009 0.000 1.247 362 G CA 0.114 45.217 45.100 0.005 0.000 0.840 362 G HN 0.970 nan 8.290 nan 0.000 0.578 363 A N 1.282 124.110 122.820 0.013 0.000 2.599 363 A HA 0.685 5.005 4.320 0.000 0.000 0.290 363 A C -0.615 176.980 177.584 0.019 0.000 1.101 363 A CA -0.743 51.303 52.037 0.015 0.000 0.674 363 A CB 1.046 20.055 19.000 0.014 0.000 1.277 363 A HN 0.629 nan 8.150 nan 0.000 0.419 364 Q N 0.398 120.209 119.800 0.018 0.000 2.294 364 Q HA 0.513 4.853 4.340 0.000 0.000 0.257 364 Q C -0.325 175.687 176.000 0.020 0.000 0.955 364 Q CA -0.454 55.362 55.803 0.020 0.000 0.936 364 Q CB 1.440 30.189 28.738 0.018 0.000 1.188 364 Q HN 0.893 nan 8.270 nan 0.000 0.420 365 V N -0.161 119.766 119.914 0.022 0.000 3.130 365 V HA 0.818 4.938 4.120 0.000 0.000 0.310 365 V C -0.780 175.325 176.094 0.018 0.000 1.158 365 V CA -1.046 61.267 62.300 0.021 0.000 1.029 365 V CB 2.582 34.420 31.823 0.024 0.000 1.057 365 V HN 0.782 nan 8.190 nan 0.000 0.436 366 M N 1.966 121.575 119.600 0.014 0.000 2.426 366 M HA 0.818 5.298 4.480 0.000 0.000 0.289 366 M C -1.898 174.399 176.300 -0.005 0.000 1.168 366 M CA -0.023 55.280 55.300 0.005 0.000 0.933 366 M CB 1.752 34.358 32.600 0.010 0.000 1.750 366 M HN 1.658 nan 8.290 nan 0.000 0.494 367 A N 2.177 124.979 122.820 -0.030 0.000 2.520 367 A HA 0.650 4.970 4.320 0.000 0.000 0.298 367 A C 0.400 177.879 177.584 -0.174 0.000 1.051 367 A CA 0.177 52.177 52.037 -0.062 0.000 0.690 367 A CB 1.191 20.178 19.000 -0.022 0.000 1.281 367 A HN 0.966 nan 8.150 nan 0.000 0.402 368 T N -1.084 113.315 114.554 -0.258 0.000 2.851 368 T HA 0.012 4.362 4.350 0.000 0.000 0.262 368 T C 0.603 174.903 174.700 -0.667 0.000 1.043 368 T CA 1.371 63.100 62.100 -0.619 0.000 1.140 368 T CB -0.618 67.985 68.868 -0.441 0.000 0.872 368 T HN 0.713 nan 8.240 nan 0.000 0.446 369 D N 1.653 121.857 120.400 -0.327 0.000 2.458 369 D HA 0.105 4.745 4.640 0.000 0.000 0.243 369 D C 1.497 177.697 176.300 -0.166 0.000 1.146 369 D CA -0.110 53.752 54.000 -0.230 0.000 0.877 369 D CB 0.660 41.370 40.800 -0.149 0.000 1.176 369 D HN 0.415 nan 8.370 nan 0.000 0.461 370 L N 2.777 123.945 121.223 -0.093 0.000 2.275 370 L HA -0.012 4.328 4.340 0.000 0.000 0.215 370 L C 1.679 178.582 176.870 0.056 0.000 1.119 370 L CA 0.496 55.346 54.840 0.016 0.000 0.790 370 L CB -0.159 41.971 42.059 0.118 0.000 0.919 370 L HN 0.272 nan 8.230 nan 0.000 0.443 371 R N 1.211 121.725 120.500 0.024 0.000 2.093 371 R HA 0.153 4.493 4.340 0.000 0.000 0.224 371 R C 2.444 178.709 176.300 -0.058 0.000 1.101 371 R CA 1.288 57.406 56.100 0.029 0.000 0.979 371 R CB -1.003 29.306 30.300 0.016 0.000 0.877 371 R HN 0.537 nan 8.270 nan 0.000 0.441 372 A N 0.573 123.342 122.820 -0.085 0.000 1.898 372 A HA -0.122 4.199 4.320 0.000 0.000 0.216 372 A C 2.402 179.960 177.584 -0.044 0.000 1.181 372 A CA 1.806 53.788 52.037 -0.092 0.000 0.620 372 A CB -0.554 18.446 19.000 -0.001 0.000 0.819 372 A HN 0.299 nan 8.150 nan 0.000 0.442 373 S N -0.455 115.215 115.700 -0.049 0.000 2.368 373 S HA -0.028 4.442 4.470 0.000 0.000 0.225 373 S C 2.186 176.757 174.600 -0.047 0.000 1.030 373 S CA 1.481 59.658 58.200 -0.039 0.000 0.999 373 S CB -0.436 62.736 63.200 -0.047 0.000 0.844 373 S HN 0.783 nan 8.310 nan 0.000 0.459 374 A N 0.541 123.305 122.820 -0.093 0.000 1.972 374 A HA -0.011 4.310 4.320 0.000 0.000 0.219 374 A C 2.362 179.856 177.584 -0.150 0.000 1.169 374 A CA 1.955 53.872 52.037 -0.200 0.000 0.635 374 A CB -0.948 17.812 19.000 -0.400 0.000 0.810 374 A HN 0.546 nan 8.150 nan 0.000 0.446 375 S N -0.099 115.539 115.700 -0.103 0.000 2.382 375 S HA -0.067 4.403 4.470 0.000 0.000 0.228 375 S C 1.768 176.340 174.600 -0.046 0.000 1.027 375 S CA 1.307 59.458 58.200 -0.082 0.000 0.991 375 S CB -0.409 62.741 63.200 -0.084 0.000 0.823 375 S HN 0.537 nan 8.310 nan 0.000 0.469 376 L N 0.954 122.165 121.223 -0.020 0.000 2.083 376 L HA -0.073 4.267 4.340 0.000 0.000 0.209 376 L C 2.273 179.143 176.870 -0.000 0.000 1.083 376 L CA 0.786 55.628 54.840 0.005 0.000 0.752 376 L CB -0.688 41.384 42.059 0.021 0.000 0.899 376 L HN 0.209 nan 8.230 nan 0.000 0.433 377 V N 0.149 120.058 119.914 -0.008 0.000 2.358 377 V HA -0.271 3.850 4.120 0.000 0.000 0.246 377 V C 2.407 178.467 176.094 -0.057 0.000 1.047 377 V CA 1.516 63.810 62.300 -0.009 0.000 1.035 377 V CB -0.367 31.447 31.823 -0.015 0.000 0.658 377 V HN 0.350 nan 8.190 nan 0.000 0.452 378 L N 0.157 121.328 121.223 -0.087 0.000 2.083 378 L HA -0.164 4.176 4.340 0.000 0.000 0.209 378 L C 2.764 179.601 176.870 -0.056 0.000 1.083 378 L CA 1.541 56.328 54.840 -0.087 0.000 0.752 378 L CB -0.895 41.096 42.059 -0.112 0.000 0.899 378 L HN 0.378 nan 8.230 nan 0.000 0.433 379 A N 0.564 123.360 122.820 -0.040 0.000 1.902 379 A HA -0.142 4.178 4.320 0.000 0.000 0.217 379 A C 2.415 179.987 177.584 -0.019 0.000 1.181 379 A CA 1.775 53.797 52.037 -0.025 0.000 0.623 379 A CB -1.218 17.777 19.000 -0.009 0.000 0.818 379 A HN 0.445 nan 8.150 nan 0.000 0.443 380 G N -1.081 107.711 108.800 -0.014 0.000 2.432 380 G HA2 -0.242 3.718 3.960 0.000 0.000 0.219 380 G HA3 -0.242 3.718 3.960 0.000 0.000 0.219 380 G C 1.522 176.412 174.900 -0.017 0.000 1.135 380 G CA 1.270 46.366 45.100 -0.007 0.000 0.767 380 G HN 0.529 nan 8.290 nan 0.000 0.550 381 C N 0.727 120.009 119.300 -0.029 0.000 2.425 381 C HA 0.024 4.485 4.460 0.000 0.000 0.277 381 C C 2.662 177.637 174.990 -0.025 0.000 1.280 381 C CA 0.898 59.897 59.018 -0.031 0.000 1.744 381 C CB -0.885 26.831 27.740 -0.040 0.000 1.989 381 C HN 0.664 nan 8.230 nan 0.000 0.491 382 I N -0.952 119.603 120.570 -0.026 0.000 3.860 382 I HA 0.361 4.531 4.170 0.000 0.000 0.319 382 I C 1.035 177.140 176.117 -0.020 0.000 1.279 382 I CA -0.044 61.242 61.300 -0.023 0.000 1.220 382 I CB -0.395 37.588 38.000 -0.028 0.000 1.027 382 I HN 0.072 nan 8.210 nan 0.000 0.428 383 A N 1.699 124.509 122.820 -0.018 0.000 2.332 383 A HA 0.346 4.666 4.320 0.000 0.000 0.258 383 A C -0.066 177.512 177.584 -0.011 0.000 1.087 383 A CA -0.243 51.785 52.037 -0.015 0.000 0.802 383 A CB 0.354 19.348 19.000 -0.011 0.000 1.042 383 A HN 0.399 nan 8.150 nan 0.000 0.489 384 E N 0.292 120.486 120.200 -0.010 0.000 2.257 384 E HA 0.467 4.817 4.350 0.000 0.000 0.278 384 E C 0.777 177.375 176.600 -0.003 0.000 1.049 384 E CA 1.454 57.850 56.400 -0.007 0.000 0.876 384 E CB -0.104 29.591 29.700 -0.007 0.000 1.035 384 E HN 1.634 nan 8.360 nan 0.000 0.419 385 G N 3.325 112.124 108.800 -0.002 0.000 2.482 385 G HA2 -0.188 3.773 3.960 0.000 0.000 0.214 385 G HA3 -0.188 3.773 3.960 0.000 0.000 0.214 385 G C -0.547 174.355 174.900 0.004 0.000 1.271 385 G CA -0.330 44.771 45.100 0.002 0.000 0.944 385 G HN 0.653 nan 8.290 nan 0.000 0.568 386 T N 1.436 115.994 114.554 0.008 0.000 2.767 386 T HA 0.655 5.005 4.350 0.000 0.000 0.284 386 T C -0.066 174.644 174.700 0.016 0.000 0.973 386 T CA 0.395 62.503 62.100 0.013 0.000 0.996 386 T CB 1.458 70.335 68.868 0.015 0.000 0.927 386 T HN 0.729 nan 8.240 nan 0.000 0.456 387 T N 2.848 117.415 114.554 0.021 0.000 2.829 387 T HA 0.548 4.898 4.350 0.000 0.000 0.280 387 T C -0.503 174.223 174.700 0.043 0.000 0.999 387 T CA -0.524 61.592 62.100 0.027 0.000 0.983 387 T CB 1.287 70.169 68.868 0.023 0.000 0.968 387 T HN 0.321 nan 8.240 nan 0.000 0.446 388 V N 3.949 123.889 119.914 0.043 0.000 2.407 388 V HA 0.409 4.529 4.120 0.000 0.000 0.291 388 V C -0.285 175.839 176.094 0.050 0.000 1.018 388 V CA -0.764 61.568 62.300 0.053 0.000 0.842 388 V CB 1.698 33.544 31.823 0.039 0.000 0.996 388 V HN 0.715 nan 8.190 nan 0.000 0.426 389 V N 3.930 123.887 119.914 0.072 0.000 2.350 389 V HA 0.389 4.509 4.120 0.000 0.000 0.276 389 V C -0.073 176.020 176.094 -0.002 0.000 1.028 389 V CA -0.398 61.932 62.300 0.050 0.000 0.860 389 V CB 1.604 33.486 31.823 0.098 0.000 0.990 389 V HN 0.854 nan 8.190 nan 0.000 0.453 390 D N 3.394 123.789 120.400 -0.009 0.000 2.294 390 D HA 0.419 5.059 4.640 0.000 0.000 0.250 390 D C 0.648 176.930 176.300 -0.030 0.000 1.058 390 D CA -0.420 53.567 54.000 -0.020 0.000 0.950 390 D CB 0.725 41.530 40.800 0.007 0.000 1.158 390 D HN 0.495 nan 8.370 nan 0.000 0.453 391 R N 1.170 121.663 120.500 -0.011 0.000 3.422 391 R HA -0.193 4.147 4.340 0.000 0.000 0.267 391 R C 0.937 177.173 176.300 -0.106 0.000 1.074 391 R CA 0.555 56.673 56.100 0.030 0.000 0.718 391 R CB -2.164 28.196 30.300 0.099 0.000 1.157 391 R HN 0.451 nan 8.270 nan 0.000 0.440 392 I N -2.431 118.026 120.570 -0.189 0.000 3.444 392 I HA -0.108 4.063 4.170 0.000 0.000 0.287 392 I C 1.948 177.938 176.117 -0.212 0.000 1.302 392 I CA 0.522 61.650 61.300 -0.286 0.000 1.368 392 I CB -0.796 36.783 38.000 -0.703 0.000 1.048 392 I HN 0.348 nan 8.210 nan 0.000 0.487 393 Y N -0.020 120.174 120.300 -0.177 0.000 2.315 393 Y HA -0.215 4.336 4.550 0.001 0.000 0.288 393 Y C 2.312 178.138 175.900 -0.122 0.000 1.154 393 Y CA 1.465 59.468 58.100 -0.162 0.000 1.229 393 Y CB -1.489 36.848 38.460 -0.205 0.000 0.980 393 Y HN 0.225 nan 8.280 nan 0.000 0.540 394 H N 0.776 119.423 119.070 -0.704 0.000 2.352 394 H HA -0.130 4.427 4.556 0.000 0.000 0.299 394 H C 2.286 177.550 175.328 -0.107 0.000 1.097 394 H CA 2.108 57.894 56.048 -0.436 0.000 1.311 394 H CB -0.173 29.320 29.762 -0.450 0.000 1.377 394 H HN 0.477 nan 8.280 nan 0.000 0.504 395 I N 0.799 121.402 120.570 0.054 0.000 2.252 395 I HA -0.214 3.956 4.170 0.000 0.000 0.245 395 I C 1.913 178.174 176.117 0.240 0.000 1.102 395 I CA 1.011 62.406 61.300 0.157 0.000 1.385 395 I CB -0.181 37.871 38.000 0.087 0.000 1.064 395 I HN 0.057 nan 8.210 nan 0.000 0.414 396 D N 0.977 121.470 120.400 0.155 0.000 2.221 396 D HA -0.151 4.489 4.640 0.000 0.000 0.204 396 D C 2.193 178.588 176.300 0.159 0.000 0.982 396 D CA 1.019 55.122 54.000 0.172 0.000 0.857 396 D CB -0.199 40.679 40.800 0.130 0.000 0.934 396 D HN 0.352 nan 8.370 nan 0.000 0.475 397 R N -0.390 120.195 120.500 0.141 0.000 2.236 397 R HA 0.072 4.413 4.340 0.000 0.000 0.208 397 R C 1.895 178.252 176.300 0.095 0.000 1.036 397 R CA 0.910 57.078 56.100 0.114 0.000 1.001 397 R CB 0.187 30.554 30.300 0.112 0.000 0.896 397 R HN 0.107 nan 8.270 nan 0.000 0.464 398 G N -1.438 107.439 108.800 0.128 0.000 2.945 398 G HA2 0.081 4.042 3.960 0.000 0.000 0.225 398 G HA3 0.081 4.042 3.960 0.000 0.000 0.225 398 G C -0.398 174.430 174.900 -0.119 0.000 1.046 398 G CA -0.116 44.986 45.100 0.004 0.000 0.842 398 G HN 0.048 nan 8.290 nan 0.000 0.543 399 Y N 0.937 121.284 120.300 0.078 0.000 2.406 399 Y HA 0.429 4.979 4.550 0.000 0.000 0.340 399 Y C -0.302 175.665 175.900 0.112 0.000 0.975 399 Y CA -1.279 56.882 58.100 0.102 0.000 1.056 399 Y CB 1.610 40.137 38.460 0.112 0.000 1.210 399 Y HN -0.017 nan 8.280 nan 0.000 0.448 400 E N 4.823 125.170 120.200 0.246 0.000 2.180 400 E HA 0.182 4.532 4.350 0.000 0.000 0.283 400 E C -0.205 176.511 176.600 0.193 0.000 1.061 400 E CA -0.632 55.877 56.400 0.180 0.000 0.861 400 E CB 0.440 30.210 29.700 0.118 0.000 1.056 400 E HN 0.540 nan 8.360 nan 0.000 0.407 401 R N 2.800 123.408 120.500 0.180 0.000 3.158 401 R HA -0.261 4.080 4.340 0.000 0.000 0.244 401 R C 0.192 176.580 176.300 0.146 0.000 0.900 401 R CA 0.418 56.613 56.100 0.159 0.000 0.618 401 R CB -2.612 27.751 30.300 0.105 0.000 1.061 401 R HN 0.822 nan 8.270 nan 0.000 0.471 402 I N 0.921 121.599 120.570 0.180 0.000 2.335 402 I HA -0.311 3.859 4.170 0.000 0.000 0.251 402 I C 2.552 178.647 176.117 -0.036 0.000 1.129 402 I CA 2.233 63.608 61.300 0.126 0.000 1.402 402 I CB 0.024 38.021 38.000 -0.005 0.000 1.069 402 I HN 0.595 nan 8.210 nan 0.000 0.424 403 E N 0.405 120.485 120.200 -0.201 0.000 2.150 403 E HA -0.265 4.085 4.350 0.000 0.000 0.193 403 E C 1.281 177.800 176.600 -0.134 0.000 0.985 403 E CA 1.495 57.685 56.400 -0.350 0.000 0.814 403 E CB -0.510 28.856 29.700 -0.557 0.000 0.752 403 E HN 0.494 nan 8.360 nan 0.000 0.466 404 D N 1.600 121.972 120.400 -0.047 0.000 2.117 404 D HA -0.072 4.568 4.640 0.000 0.000 0.198 404 D C 1.909 178.189 176.300 -0.033 0.000 0.982 404 D CA 1.212 55.197 54.000 -0.026 0.000 0.828 404 D CB -0.120 40.680 40.800 0.001 0.000 0.967 404 D HN 0.275 nan 8.370 nan 0.000 0.464 405 K N 0.223 120.613 120.400 -0.015 0.000 2.057 405 K HA -0.020 4.300 4.320 0.000 0.000 0.206 405 K C 2.299 178.879 176.600 -0.033 0.000 1.050 405 K CA 0.531 56.768 56.287 -0.083 0.000 0.935 405 K CB -0.100 32.306 32.500 -0.156 0.000 0.715 405 K HN 0.152 nan 8.250 nan 0.000 0.439 406 L N 0.483 121.742 121.223 0.060 0.000 2.056 406 L HA -0.126 4.214 4.340 0.000 0.000 0.207 406 L C 2.719 179.579 176.870 -0.016 0.000 1.078 406 L CA 0.993 55.868 54.840 0.059 0.000 0.749 406 L CB -0.330 41.725 42.059 -0.008 0.000 0.901 406 L HN 0.165 nan 8.230 nan 0.000 0.433 407 R N 0.425 120.896 120.500 -0.048 0.000 2.105 407 R HA -0.180 4.160 4.340 0.000 0.000 0.239 407 R C 2.211 178.488 176.300 -0.039 0.000 1.135 407 R CA 1.402 57.474 56.100 -0.047 0.000 0.967 407 R CB -0.213 30.058 30.300 -0.049 0.000 0.861 407 R HN 0.347 nan 8.270 nan 0.000 0.442 408 A N 0.339 123.132 122.820 -0.046 0.000 2.121 408 A HA -0.049 4.272 4.320 0.000 0.000 0.218 408 A C 1.779 179.334 177.584 -0.048 0.000 1.154 408 A CA 0.864 52.870 52.037 -0.052 0.000 0.679 408 A CB -0.158 18.799 19.000 -0.072 0.000 0.795 408 A HN 0.344 nan 8.150 nan 0.000 0.458 409 L N -1.838 119.363 121.223 -0.037 0.000 2.607 409 L HA 0.297 4.637 4.340 0.000 0.000 0.228 409 L C 1.545 178.405 176.870 -0.016 0.000 1.123 409 L CA 0.552 55.378 54.840 -0.022 0.000 0.890 409 L CB 0.188 42.252 42.059 0.008 0.000 1.103 409 L HN 0.514 nan 8.230 nan 0.000 0.468 410 G N -0.243 108.544 108.800 -0.021 0.000 2.184 410 G HA2 -0.204 3.756 3.960 0.000 0.000 0.206 410 G HA3 -0.204 3.756 3.960 0.000 0.000 0.206 410 G C 0.390 175.277 174.900 -0.021 0.000 0.995 410 G CA -0.171 44.917 45.100 -0.020 0.000 0.651 410 G HN 0.414 nan 8.290 nan 0.000 0.511 411 A N 0.054 122.859 122.820 -0.025 0.000 2.407 411 A HA 0.572 4.893 4.320 0.000 0.000 0.248 411 A C 0.485 178.045 177.584 -0.039 0.000 1.082 411 A CA 0.340 52.357 52.037 -0.035 0.000 0.785 411 A CB 0.362 19.332 19.000 -0.050 0.000 1.020 411 A HN 0.569 nan 8.150 nan 0.000 0.489 412 N N 1.462 120.141 118.700 -0.035 0.000 2.589 412 N HA 0.423 5.164 4.740 0.000 0.000 0.232 412 N C -1.320 174.168 175.510 -0.037 0.000 1.015 412 N CA -0.061 52.972 53.050 -0.028 0.000 0.931 412 N CB 0.372 38.849 38.487 -0.017 0.000 1.150 412 N HN 0.649 nan 8.380 nan 0.000 0.512 413 I N 1.048 121.586 120.570 -0.053 0.000 2.722 413 I HA 0.427 4.598 4.170 0.000 0.000 0.295 413 I C -1.386 174.705 176.117 -0.043 0.000 1.161 413 I CA -0.641 60.614 61.300 -0.074 0.000 1.032 413 I CB 2.174 40.064 38.000 -0.184 0.000 1.244 413 I HN 0.391 nan 8.210 nan 0.000 0.421 414 E N 6.896 127.108 120.200 0.020 0.000 2.292 414 E HA 0.359 4.709 4.350 0.000 0.000 0.272 414 E C -1.456 175.266 176.600 0.204 0.000 0.881 414 E CA -0.953 55.492 56.400 0.075 0.000 0.754 414 E CB 1.958 31.694 29.700 0.060 0.000 1.201 414 E HN 0.643 nan 8.360 nan 0.000 0.425 415 R N 3.687 124.331 120.500 0.240 0.000 2.216 415 R HA 0.293 4.634 4.340 0.000 0.000 0.332 415 R C -0.622 175.766 176.300 0.147 0.000 1.056 415 R CA -0.411 55.880 56.100 0.318 0.000 0.901 415 R CB 0.672 31.158 30.300 0.309 0.000 1.039 415 R HN 0.339 nan 8.270 nan 0.000 0.456 416 V N 2.220 122.196 119.914 0.103 0.000 2.435 416 V HA 0.490 4.610 4.120 0.000 0.000 0.290 416 V C -0.585 175.523 176.094 0.025 0.000 1.030 416 V CA -1.103 61.230 62.300 0.056 0.000 0.881 416 V CB 1.633 33.486 31.823 0.050 0.000 0.983 416 V HN 0.580 nan 8.190 nan 0.000 0.445 417 K N 3.629 124.042 120.400 0.021 0.000 2.276 417 K HA 0.415 4.736 4.320 0.000 0.000 0.285 417 K C 1.138 177.740 176.600 0.003 0.000 1.062 417 K CA 0.397 56.689 56.287 0.008 0.000 0.918 417 K CB 0.815 33.322 32.500 0.011 0.000 1.055 417 K HN 1.546 nan 8.250 nan 0.000 0.477 418 G N 3.423 112.220 108.800 -0.006 0.000 2.361 418 G HA2 -0.381 3.579 3.960 0.000 0.000 0.294 418 G HA3 -0.381 3.579 3.960 0.000 0.000 0.294 418 G C 0.129 175.029 174.900 0.000 0.000 1.004 418 G CA 1.309 46.405 45.100 -0.006 0.000 0.870 418 G HN 0.900 nan 8.290 nan 0.000 0.510 419 E N 0.000 120.202 120.200 0.003 0.000 2.725 419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 419 E CA 0.000 56.405 56.400 0.009 0.000 0.976 419 E CB 0.000 29.705 29.700 0.008 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440