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 2ay3_1_B DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQAP DKILALMGEF XXXXXXGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.304 176.300 0.006 0.000 1.140 5 M CA 0.000 55.303 55.300 0.005 0.000 0.988 5 M CB 0.000 32.603 32.600 0.006 0.000 1.302 6 L N 0.745 121.972 121.223 0.007 0.000 2.187 6 L HA -0.092 4.248 4.340 -0.000 0.000 0.213 6 L C 2.064 178.938 176.870 0.007 0.000 1.100 6 L CA 1.607 56.452 54.840 0.008 0.000 0.765 6 L CB -0.932 41.132 42.059 0.007 0.000 0.904 6 L HN 0.612 nan 8.230 nan 0.000 0.437 7 G N -0.275 108.529 108.800 0.005 0.000 2.559 7 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 7 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 7 G C 1.105 176.008 174.900 0.005 0.000 1.126 7 G CA 0.342 45.445 45.100 0.004 0.000 0.778 7 G HN 0.398 nan 8.290 nan 0.000 0.543 8 N N -0.132 118.571 118.700 0.006 0.000 2.398 8 N HA 0.140 4.880 4.740 -0.000 0.000 0.188 8 N C 0.471 175.986 175.510 0.008 0.000 1.122 8 N CA -0.117 52.937 53.050 0.006 0.000 0.866 8 N CB 0.134 38.624 38.487 0.005 0.000 0.970 8 N HN 0.246 nan 8.380 nan 0.000 0.462 9 L N 1.305 122.534 121.223 0.010 0.000 2.462 9 L HA 0.068 4.408 4.340 -0.000 0.000 0.272 9 L C 0.489 177.366 176.870 0.011 0.000 1.166 9 L CA 0.179 55.027 54.840 0.013 0.000 0.880 9 L CB 0.424 42.492 42.059 0.014 0.000 1.142 9 L HN -0.037 nan 8.230 nan 0.000 0.473 10 K N 5.088 125.496 120.400 0.014 0.000 2.249 10 K HA 0.300 4.620 4.320 -0.000 0.000 0.280 10 K C -2.068 174.539 176.600 0.011 0.000 1.033 10 K CA -1.627 54.667 56.287 0.011 0.000 0.946 10 K CB 0.446 32.953 32.500 0.013 0.000 1.005 10 K HN 0.386 nan 8.250 nan 0.000 0.469 11 P HA -0.044 nan 4.420 nan 0.000 0.268 11 P C -0.845 176.458 177.300 0.005 0.000 1.204 11 P CA 0.048 63.151 63.100 0.004 0.000 0.768 11 P CB 0.729 32.430 31.700 0.001 0.000 0.842 12 Q N 1.005 120.806 119.800 0.002 0.000 2.205 12 Q HA 0.541 4.881 4.340 -0.000 0.000 0.249 12 Q C -0.118 175.876 176.000 -0.010 0.000 0.948 12 Q CA -0.730 55.073 55.803 0.000 0.000 0.895 12 Q CB 1.895 30.632 28.738 -0.001 0.000 1.249 12 Q HN 0.561 nan 8.270 nan 0.000 0.458 13 A N 2.912 125.724 122.820 -0.014 0.000 2.354 13 A HA 0.522 4.842 4.320 -0.000 0.000 0.281 13 A C -1.831 175.730 177.584 -0.038 0.000 1.174 13 A CA -0.961 51.062 52.037 -0.023 0.000 0.828 13 A CB -0.531 18.456 19.000 -0.022 0.000 1.099 13 A HN 0.431 nan 8.150 nan 0.000 0.516 14 P HA 0.135 nan 4.420 nan 0.000 0.271 14 P C -0.488 176.774 177.300 -0.062 0.000 1.233 14 P CA -0.390 62.682 63.100 -0.047 0.000 0.789 14 P CB 0.496 32.174 31.700 -0.036 0.000 0.951 15 D N 1.380 121.736 120.400 -0.074 0.000 2.295 15 D HA -0.021 4.619 4.640 -0.000 0.000 0.248 15 D C 1.110 177.365 176.300 -0.076 0.000 1.154 15 D CA -0.336 53.606 54.000 -0.096 0.000 0.857 15 D CB 0.965 41.695 40.800 -0.117 0.000 1.117 15 D HN 0.290 nan 8.370 nan 0.000 0.468 16 K N 4.687 125.040 120.400 -0.078 0.000 2.020 16 K HA -0.200 4.120 4.320 -0.000 0.000 0.212 16 K C 1.932 178.505 176.600 -0.046 0.000 1.050 16 K CA 1.151 57.404 56.287 -0.056 0.000 0.929 16 K CB -0.776 31.690 32.500 -0.056 0.000 0.714 16 K HN 0.539 nan 8.250 nan 0.000 0.443 17 I N 1.524 122.060 120.570 -0.057 0.000 2.163 17 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 17 I C 2.619 178.724 176.117 -0.021 0.000 1.085 17 I CA 1.283 62.566 61.300 -0.029 0.000 1.347 17 I CB -0.404 37.587 38.000 -0.014 0.000 1.044 17 I HN 0.027 nan 8.210 nan 0.000 0.408 18 L N 0.488 121.693 121.223 -0.030 0.000 2.291 18 L HA -0.087 4.253 4.340 -0.000 0.000 0.214 18 L C 2.814 179.665 176.870 -0.031 0.000 1.120 18 L CA 0.732 55.557 54.840 -0.025 0.000 0.799 18 L CB -0.696 41.347 42.059 -0.027 0.000 0.925 18 L HN 0.238 nan 8.230 nan 0.000 0.446 19 A N 0.442 123.240 122.820 -0.037 0.000 1.898 19 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 19 A C 2.269 179.826 177.584 -0.045 0.000 1.181 19 A CA 1.179 53.194 52.037 -0.037 0.000 0.620 19 A CB -0.482 18.498 19.000 -0.034 0.000 0.819 19 A HN 0.322 nan 8.150 nan 0.000 0.442 20 L N -1.238 119.958 121.223 -0.044 0.000 2.017 20 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 20 L C 2.819 179.637 176.870 -0.086 0.000 1.073 20 L CA 1.842 56.638 54.840 -0.072 0.000 0.745 20 L CB -0.442 41.599 42.059 -0.030 0.000 0.894 20 L HN 0.590 nan 8.230 nan 0.000 0.432 21 M N -0.202 119.369 119.600 -0.048 0.000 2.108 21 M HA -0.220 4.260 4.480 -0.000 0.000 0.257 21 M C 1.939 178.236 176.300 -0.004 0.000 1.071 21 M CA 2.339 57.622 55.300 -0.029 0.000 1.093 21 M CB -0.449 32.138 32.600 -0.022 0.000 1.345 21 M HN 0.279 nan 8.290 nan 0.000 0.403 22 G N -0.631 108.154 108.800 -0.025 0.000 2.430 22 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 22 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 22 G C 1.229 176.100 174.900 -0.049 0.000 1.146 22 G CA 0.623 45.708 45.100 -0.024 0.000 0.793 22 G HN 0.597 nan 8.290 nan 0.000 0.537 23 E N -0.398 119.745 120.200 -0.096 0.000 2.047 23 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 23 E C 1.093 177.552 176.600 -0.235 0.000 0.987 23 E CA -0.119 56.181 56.400 -0.167 0.000 0.799 23 E CB -0.114 29.449 29.700 -0.228 0.000 0.752 23 E HN 0.367 nan 8.360 nan 0.000 0.449 32 K N 0.932 121.370 120.400 0.064 0.000 2.322 32 K HA 0.479 4.799 4.320 -0.000 0.000 0.283 32 K C -0.266 176.545 176.600 0.352 0.000 1.042 32 K CA 0.063 56.452 56.287 0.170 0.000 0.958 32 K CB 1.483 34.013 32.500 0.050 0.000 0.984 32 K HN 0.200 nan 8.250 nan 0.000 0.473 33 I N 2.692 123.425 120.570 0.272 0.000 2.390 33 I HA 0.056 4.226 4.170 -0.000 0.000 0.283 33 I C -0.500 175.712 176.117 0.158 0.000 1.016 33 I CA -0.822 60.583 61.300 0.174 0.000 1.151 33 I CB 1.386 39.409 38.000 0.038 0.000 1.293 33 I HN 0.520 nan 8.210 nan 0.000 0.458 34 D N 6.946 127.312 120.400 -0.057 0.000 2.339 34 D HA 0.300 4.940 4.640 -0.000 0.000 0.241 34 D C -0.162 176.043 176.300 -0.158 0.000 1.183 34 D CA -0.019 53.781 54.000 -0.333 0.000 0.859 34 D CB 1.167 41.275 40.800 -1.152 0.000 1.067 34 D HN 0.277 nan 8.370 nan 0.000 0.484 35 L N 3.802 125.006 121.223 -0.032 0.000 3.289 35 L HA 0.430 4.770 4.340 -0.000 0.000 0.291 35 L C 1.227 178.127 176.870 0.051 0.000 1.279 35 L CA -0.131 54.711 54.840 0.003 0.000 1.025 35 L CB 0.977 43.052 42.059 0.026 0.000 1.413 35 L HN 0.572 nan 8.230 nan 0.000 0.593 36 G N -1.233 107.581 108.800 0.023 0.000 2.568 36 G HA2 0.091 4.051 3.960 -0.000 0.000 0.212 36 G HA3 0.091 4.051 3.960 -0.000 0.000 0.212 36 G C 0.136 175.092 174.900 0.094 0.000 1.821 36 G CA 0.017 45.149 45.100 0.055 0.000 0.904 36 G HN -0.088 nan 8.290 nan 0.000 0.566 37 V N 2.222 122.166 119.914 0.050 0.000 2.678 37 V HA 0.319 4.439 4.120 -0.000 0.000 0.304 37 V C 1.375 177.575 176.094 0.177 0.000 1.086 37 V CA 0.634 62.991 62.300 0.094 0.000 1.246 37 V CB 0.574 32.410 31.823 0.022 0.000 0.861 37 V HN 0.619 nan 8.190 nan 0.000 0.491 38 G N 6.493 115.507 108.800 0.356 0.000 2.924 38 G HA2 0.372 4.332 3.960 -0.000 0.000 0.273 38 G HA3 0.372 4.332 3.960 -0.000 0.000 0.273 38 G C -0.417 174.613 174.900 0.216 0.000 0.734 38 G CA -0.065 45.319 45.100 0.473 0.000 2.065 38 G HN 0.693 nan 8.290 nan 0.000 0.580 39 V N 1.892 121.839 119.914 0.055 0.000 2.735 39 V HA 0.331 4.451 4.120 -0.000 0.000 0.310 39 V C -0.561 175.546 176.094 0.021 0.000 1.061 39 V CA -1.284 60.995 62.300 -0.035 0.000 0.913 39 V CB 1.914 33.562 31.823 -0.290 0.000 1.005 39 V HN 0.563 nan 8.190 nan 0.000 0.428 40 Y N 5.014 125.372 120.300 0.098 0.000 2.411 40 Y HA 0.486 5.036 4.550 -0.000 0.000 0.333 40 Y C 0.097 176.048 175.900 0.086 0.000 1.186 40 Y CA 0.021 58.189 58.100 0.114 0.000 1.381 40 Y CB 0.546 39.173 38.460 0.277 0.000 1.273 40 Y HN 0.555 nan 8.280 nan 0.000 0.546 41 K N 4.373 124.138 120.400 -1.059 0.000 2.477 41 K HA 0.252 4.572 4.320 -0.000 0.000 0.255 41 K C -1.412 174.617 176.600 -0.951 0.000 0.952 41 K CA -1.084 54.755 56.287 -0.747 0.000 0.826 41 K CB 1.759 34.038 32.500 -0.367 0.000 1.331 41 K HN 0.742 nan 8.250 nan 0.000 0.437 42 D N 0.178 120.320 120.400 -0.430 0.000 2.437 42 D HA 0.245 4.885 4.640 -0.000 0.000 0.259 42 D C 0.963 177.206 176.300 -0.095 0.000 1.118 42 D CA -0.587 53.324 54.000 -0.149 0.000 1.017 42 D CB 0.667 41.507 40.800 0.067 0.000 1.120 42 D HN 0.452 nan 8.370 nan 0.000 0.541 43 A N 0.100 122.911 122.820 -0.016 0.000 1.971 43 A HA -0.214 4.106 4.320 -0.000 0.000 0.222 43 A C 1.783 179.340 177.584 -0.045 0.000 1.182 43 A CA 2.747 54.773 52.037 -0.019 0.000 0.649 43 A CB -1.501 17.508 19.000 0.014 0.000 0.818 43 A HN 0.779 nan 8.150 nan 0.000 0.458 44 T N -3.808 110.722 114.554 -0.040 0.000 3.278 44 T HA 0.430 4.780 4.350 -0.000 0.000 0.251 44 T C 1.127 175.608 174.700 -0.365 0.000 1.039 44 T CA 0.834 62.869 62.100 -0.108 0.000 0.935 44 T CB -0.424 68.473 68.868 0.048 0.000 1.034 44 T HN 1.788 nan 8.240 nan 0.000 0.575 45 G N 1.253 109.893 108.800 -0.266 0.000 2.249 45 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.273 45 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.273 45 G C -0.260 174.424 174.900 -0.361 0.000 1.036 45 G CA 0.235 45.157 45.100 -0.298 0.000 0.824 45 G HN 0.810 nan 8.290 nan 0.000 0.504 46 H N -1.021 118.010 119.070 -0.065 0.000 2.569 46 H HA 0.620 5.176 4.556 -0.000 0.000 0.357 46 H C -0.208 175.086 175.328 -0.057 0.000 1.153 46 H CA -0.442 55.583 56.048 -0.038 0.000 1.193 46 H CB 1.728 31.490 29.762 -0.001 0.000 1.602 46 H HN 0.091 nan 8.280 nan 0.000 0.523 47 T N 5.299 119.928 114.554 0.125 0.000 3.029 47 T HA 0.193 4.543 4.350 -0.000 0.000 0.346 47 T C -2.105 172.708 174.700 0.188 0.000 1.211 47 T CA -1.259 60.914 62.100 0.121 0.000 1.009 47 T CB 0.202 69.102 68.868 0.052 0.000 1.084 47 T HN 0.440 nan 8.240 nan 0.000 0.536 48 P HA 0.384 nan 4.420 nan 0.000 0.274 48 P C -0.420 177.004 177.300 0.206 0.000 1.237 48 P CA -0.609 62.598 63.100 0.179 0.000 0.793 48 P CB 1.185 32.989 31.700 0.174 0.000 0.977 49 I N 1.745 122.408 120.570 0.155 0.000 2.371 49 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 49 I C 1.211 177.425 176.117 0.161 0.000 1.028 49 I CA -0.598 60.806 61.300 0.174 0.000 1.345 49 I CB 0.436 38.534 38.000 0.163 0.000 1.407 49 I HN 0.191 nan 8.210 nan 0.000 0.501 50 M N 5.619 125.328 119.600 0.182 0.000 2.249 50 M HA 0.117 4.597 4.480 -0.000 0.000 0.340 50 M C 1.448 177.846 176.300 0.164 0.000 1.166 50 M CA 0.259 55.659 55.300 0.166 0.000 1.115 50 M CB 0.458 33.176 32.600 0.198 0.000 1.606 50 M HN 0.561 nan 8.290 nan 0.000 0.448 51 R N 1.946 122.525 120.500 0.131 0.000 2.136 51 R HA -0.243 4.097 4.340 -0.000 0.000 0.242 51 R C 2.123 178.520 176.300 0.161 0.000 1.131 51 R CA 2.147 58.325 56.100 0.129 0.000 0.937 51 R CB -0.826 29.527 30.300 0.089 0.000 0.863 51 R HN 0.900 nan 8.270 nan 0.000 0.435 52 A N 0.602 123.515 122.820 0.154 0.000 1.940 52 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 52 A C 2.408 180.057 177.584 0.107 0.000 1.176 52 A CA 1.505 53.623 52.037 0.135 0.000 0.631 52 A CB -0.471 18.631 19.000 0.170 0.000 0.814 52 A HN 0.160 nan 8.150 nan 0.000 0.446 53 V N -0.481 119.514 119.914 0.135 0.000 2.427 53 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 53 V C 2.486 178.631 176.094 0.085 0.000 1.051 53 V CA 2.092 64.448 62.300 0.094 0.000 1.048 53 V CB -0.921 30.984 31.823 0.136 0.000 0.666 53 V HN 0.795 nan 8.190 nan 0.000 0.456 54 H N 0.412 119.515 119.070 0.055 0.000 2.357 54 H HA -0.102 4.454 4.556 -0.000 0.000 0.301 54 H C 2.252 177.601 175.328 0.035 0.000 1.082 54 H CA 1.730 57.808 56.048 0.049 0.000 1.342 54 H CB 0.179 29.973 29.762 0.054 0.000 1.389 54 H HN 0.401 nan 8.280 nan 0.000 0.511 55 A N 1.004 123.847 122.820 0.038 0.000 1.930 55 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 55 A C 2.650 180.198 177.584 -0.060 0.000 1.175 55 A CA 1.437 53.469 52.037 -0.009 0.000 0.627 55 A CB -0.843 18.189 19.000 0.053 0.000 0.815 55 A HN 0.550 nan 8.150 nan 0.000 0.443 56 A N -0.238 122.549 122.820 -0.054 0.000 1.930 56 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 56 A C 1.925 179.444 177.584 -0.110 0.000 1.175 56 A CA 1.550 53.538 52.037 -0.082 0.000 0.627 56 A CB -0.447 18.493 19.000 -0.099 0.000 0.815 56 A HN 0.620 nan 8.150 nan 0.000 0.443 57 E N -0.405 119.720 120.200 -0.126 0.000 2.106 57 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 57 E C 2.301 178.844 176.600 -0.094 0.000 0.984 57 E CA 1.243 57.585 56.400 -0.096 0.000 0.806 57 E CB -0.153 29.509 29.700 -0.062 0.000 0.750 57 E HN 0.742 nan 8.360 nan 0.000 0.458 58 Q N 0.374 120.076 119.800 -0.164 0.000 2.016 58 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 58 Q C 2.233 178.198 176.000 -0.058 0.000 0.978 58 Q CA 1.137 56.868 55.803 -0.120 0.000 0.833 58 Q CB -0.147 28.509 28.738 -0.138 0.000 0.895 58 Q HN 0.154 nan 8.270 nan 0.000 0.427 59 R N 0.267 120.735 120.500 -0.054 0.000 2.091 59 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 59 R C 2.270 178.557 176.300 -0.022 0.000 1.136 59 R CA 1.659 57.740 56.100 -0.032 0.000 0.959 59 R CB -0.288 29.993 30.300 -0.032 0.000 0.856 59 R HN 0.284 nan 8.270 nan 0.000 0.437 60 M N 0.326 119.910 119.600 -0.026 0.000 2.159 60 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 60 M C 2.288 178.603 176.300 0.024 0.000 1.063 60 M CA 1.425 56.727 55.300 0.003 0.000 1.110 60 M CB -0.221 32.378 32.600 -0.002 0.000 1.374 60 M HN 0.198 nan 8.290 nan 0.000 0.411 61 L N -0.045 121.187 121.223 0.014 0.000 2.127 61 L HA -0.247 4.093 4.340 -0.000 0.000 0.211 61 L C 2.135 179.007 176.870 0.004 0.000 1.089 61 L CA 1.567 56.415 54.840 0.013 0.000 0.757 61 L CB -0.213 41.846 42.059 0.000 0.000 0.899 61 L HN 0.391 nan 8.230 nan 0.000 0.434 62 E N -1.312 118.887 120.200 -0.002 0.000 2.122 62 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 62 E C 1.991 178.590 176.600 -0.002 0.000 0.977 62 E CA 1.524 57.922 56.400 -0.003 0.000 0.820 62 E CB 0.169 29.866 29.700 -0.005 0.000 0.770 62 E HN 0.592 nan 8.360 nan 0.000 0.462 63 T N -0.603 113.953 114.554 0.003 0.000 2.894 63 T HA -0.003 4.347 4.350 -0.000 0.000 0.258 63 T C 1.074 175.778 174.700 0.006 0.000 1.043 63 T CA 0.138 62.241 62.100 0.005 0.000 1.141 63 T CB 0.034 68.907 68.868 0.008 0.000 0.873 63 T HN -0.142 nan 8.240 nan 0.000 0.449 67 T N 0.276 114.767 114.554 -0.105 0.000 2.816 67 T HA 0.646 4.996 4.350 -0.000 0.000 0.299 67 T C -1.372 173.200 174.700 -0.213 0.000 1.230 67 T CA -0.598 61.415 62.100 -0.144 0.000 1.007 67 T CB 2.175 70.958 68.868 -0.142 0.000 1.289 67 T HN 0.117 nan 8.240 nan 0.000 0.508 68 K N 1.293 121.548 120.400 -0.241 0.000 2.564 68 K HA 0.218 4.538 4.320 -0.000 0.000 0.201 68 K C 0.178 176.554 176.600 -0.372 0.000 1.086 68 K CA -0.234 55.864 56.287 -0.316 0.000 1.062 68 K CB 0.747 33.101 32.500 -0.244 0.000 0.849 68 K HN 0.761 nan 8.250 nan 0.000 0.529 69 T N 0.210 114.560 114.554 -0.339 0.000 2.724 69 T HA -0.024 4.326 4.350 -0.000 0.000 0.324 69 T C 0.440 174.875 174.700 -0.441 0.000 1.071 69 T CA 0.007 61.873 62.100 -0.389 0.000 1.061 69 T CB 0.218 68.939 68.868 -0.244 0.000 0.990 69 T HN -0.049 nan 8.240 nan 0.000 0.543 70 Y N 0.570 120.636 120.300 -0.390 0.000 2.683 70 Y HA 0.366 4.916 4.550 -0.000 0.000 0.340 70 Y C 0.964 176.536 175.900 -0.547 0.000 1.245 70 Y CA 0.138 57.807 58.100 -0.717 0.000 1.485 70 Y CB -0.249 37.669 38.460 -0.904 0.000 1.328 70 Y HN 0.953 nan 8.280 nan 0.000 0.603 71 A N 1.735 124.316 122.820 -0.398 0.000 3.981 71 A HA 0.778 5.098 4.320 -0.000 0.000 0.153 71 A C 0.421 178.093 177.584 0.147 0.000 1.090 71 A CA -0.196 51.785 52.037 -0.093 0.000 0.990 71 A CB -0.442 18.532 19.000 -0.043 0.000 1.553 71 A HN 0.819 nan 8.150 nan 0.000 0.696 72 G N -0.705 108.231 108.800 0.227 0.000 2.370 72 G HA2 0.436 4.396 3.960 -0.000 0.000 0.272 72 G HA3 0.436 4.396 3.960 -0.000 0.000 0.272 72 G C 0.445 175.585 174.900 0.399 0.000 1.208 72 G CA -0.178 45.095 45.100 0.289 0.000 0.856 72 G HN 0.666 nan 8.290 nan 0.000 0.500 73 L N 2.480 123.888 121.223 0.309 0.000 2.131 73 L HA -0.018 4.322 4.340 -0.000 0.000 0.210 73 L C 2.369 179.306 176.870 0.110 0.000 1.092 73 L CA 1.920 56.814 54.840 0.091 0.000 0.759 73 L CB -0.005 41.971 42.059 -0.138 0.000 0.903 73 L HN 0.428 nan 8.230 nan 0.000 0.435 74 S N -0.205 115.571 115.700 0.128 0.000 2.577 74 S HA 0.569 5.039 4.470 -0.000 0.000 0.219 74 S C 0.601 175.300 174.600 0.165 0.000 0.962 74 S CA 0.292 58.566 58.200 0.125 0.000 0.921 74 S CB -0.298 62.959 63.200 0.096 0.000 0.789 74 S HN 0.785 nan 8.310 nan 0.000 0.497 75 G N 1.648 110.563 108.800 0.192 0.000 2.603 75 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.686 75 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.686 75 G C -1.359 173.656 174.900 0.192 0.000 1.286 75 G CA -1.083 44.135 45.100 0.196 0.000 0.871 75 G HN 0.102 nan 8.290 nan 0.000 0.568 76 E N 0.832 121.144 120.200 0.187 0.000 2.331 76 E HA 0.321 4.671 4.350 -0.000 0.000 0.272 76 E C -1.392 175.301 176.600 0.154 0.000 1.036 76 E CA -1.707 54.794 56.400 0.168 0.000 0.864 76 E CB 1.038 30.831 29.700 0.156 0.000 1.035 76 E HN 0.158 nan 8.360 nan 0.000 0.408 77 P HA -0.225 nan 4.420 nan 0.000 0.216 77 P C 0.674 178.007 177.300 0.056 0.000 1.154 77 P CA 1.661 64.805 63.100 0.073 0.000 0.865 77 P CB 0.355 32.090 31.700 0.059 0.000 0.789 78 E N -1.356 118.882 120.200 0.063 0.000 2.051 78 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 78 E C 1.876 178.499 176.600 0.038 0.000 0.991 78 E CA 0.909 57.330 56.400 0.036 0.000 0.799 78 E CB -1.323 28.394 29.700 0.028 0.000 0.748 78 E HN 0.184 nan 8.360 nan 0.000 0.449 79 F N 2.091 121.989 119.950 -0.086 0.000 2.095 79 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 79 F C 2.113 177.861 175.800 -0.086 0.000 1.104 79 F CA 1.865 59.791 58.000 -0.123 0.000 1.232 79 F CB -0.310 38.608 39.000 -0.138 0.000 0.987 79 F HN -0.054 nan 8.300 nan 0.000 0.475 80 Q N 0.077 119.825 119.800 -0.088 0.000 2.030 80 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 80 Q C 2.325 178.223 176.000 -0.169 0.000 0.986 80 Q CA 2.158 57.866 55.803 -0.158 0.000 0.843 80 Q CB -0.437 28.296 28.738 -0.009 0.000 0.904 80 Q HN 0.422 nan 8.270 nan 0.000 0.420 81 K N 0.387 120.729 120.400 -0.096 0.000 2.097 81 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 81 K C 2.038 178.573 176.600 -0.108 0.000 1.049 81 K CA 1.087 57.326 56.287 -0.079 0.000 0.933 81 K CB -0.119 32.356 32.500 -0.040 0.000 0.717 81 K HN 0.195 nan 8.250 nan 0.000 0.442 82 A N 0.947 123.680 122.820 -0.144 0.000 1.873 82 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 82 A C 2.103 179.569 177.584 -0.196 0.000 1.186 82 A CA 1.395 53.342 52.037 -0.150 0.000 0.616 82 A CB -0.395 18.511 19.000 -0.158 0.000 0.823 82 A HN 0.254 nan 8.150 nan 0.000 0.442 83 M N -0.336 119.055 119.600 -0.348 0.000 2.117 83 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 83 M C 2.328 178.514 176.300 -0.189 0.000 1.065 83 M CA 1.525 56.614 55.300 -0.352 0.000 1.114 83 M CB -1.961 30.259 32.600 -0.633 0.000 1.361 83 M HN 0.477 nan 8.290 nan 0.000 0.408 84 G N -0.096 108.604 108.800 -0.166 0.000 2.418 84 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 84 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 84 G C 1.512 176.373 174.900 -0.065 0.000 1.158 84 G CA 0.757 45.799 45.100 -0.096 0.000 0.771 84 G HN 0.538 nan 8.290 nan 0.000 0.545 85 E N -0.306 119.857 120.200 -0.062 0.000 2.106 85 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 85 E C 2.386 178.977 176.600 -0.014 0.000 0.984 85 E CA 0.653 57.032 56.400 -0.034 0.000 0.806 85 E CB -0.151 29.532 29.700 -0.028 0.000 0.750 85 E HN 0.360 nan 8.360 nan 0.000 0.458 86 L N 1.126 122.342 121.223 -0.012 0.000 2.046 86 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 86 L C 1.941 178.828 176.870 0.028 0.000 1.077 86 L CA 1.602 56.465 54.840 0.039 0.000 0.747 86 L CB -0.204 41.898 42.059 0.070 0.000 0.896 86 L HN 0.078 nan 8.230 nan 0.000 0.432 87 I N -1.107 119.461 120.570 -0.003 0.000 2.206 87 I HA -0.244 3.926 4.170 -0.000 0.000 0.239 87 I C 2.008 178.111 176.117 -0.023 0.000 1.078 87 I CA 1.307 62.601 61.300 -0.009 0.000 1.367 87 I CB -0.204 37.782 38.000 -0.023 0.000 1.078 87 I HN 0.167 nan 8.210 nan 0.000 0.413 88 L N 0.135 121.341 121.223 -0.029 0.000 2.567 88 L HA 0.267 4.607 4.340 -0.000 0.000 0.225 88 L C 1.435 178.289 176.870 -0.026 0.000 1.119 88 L CA 0.192 55.013 54.840 -0.032 0.000 0.871 88 L CB -0.709 41.332 42.059 -0.031 0.000 1.036 88 L HN 0.476 nan 8.230 nan 0.000 0.459 89 G N 0.817 109.605 108.800 -0.019 0.000 2.582 89 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.288 89 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.288 89 G C 0.353 175.244 174.900 -0.015 0.000 1.247 89 G CA 0.358 45.450 45.100 -0.014 0.000 0.972 89 G HN 0.339 nan 8.290 nan 0.000 0.557 90 D N 2.360 122.752 120.400 -0.014 0.000 2.348 90 D HA 0.221 4.861 4.640 -0.000 0.000 0.248 90 D C 1.312 177.604 176.300 -0.013 0.000 1.142 90 D CA 1.051 55.044 54.000 -0.012 0.000 0.904 90 D CB -0.365 40.429 40.800 -0.010 0.000 0.901 90 D HN 0.628 nan 8.370 nan 0.000 0.523 96 K N 3.482 123.876 120.400 -0.011 0.000 2.419 96 K HA 0.418 4.738 4.320 -0.000 0.000 0.244 96 K C 0.884 177.481 176.600 -0.006 0.000 1.045 96 K CA -0.228 56.055 56.287 -0.007 0.000 1.004 96 K CB 1.188 33.685 32.500 -0.004 0.000 1.376 96 K HN 0.645 nan 8.250 nan 0.000 0.460 97 S N 1.890 117.586 115.700 -0.007 0.000 2.387 97 S HA -0.235 4.235 4.470 -0.000 0.000 0.230 97 S C 1.700 176.299 174.600 -0.001 0.000 1.035 97 S CA 1.795 59.992 58.200 -0.005 0.000 1.014 97 S CB -0.149 63.048 63.200 -0.005 0.000 0.836 97 S HN 0.769 nan 8.310 nan 0.000 0.466 98 E N 1.390 121.590 120.200 0.000 0.000 2.409 98 E HA -0.116 4.234 4.350 -0.000 0.000 0.198 98 E C 1.299 177.901 176.600 0.003 0.000 1.024 98 E CA 1.499 57.900 56.400 0.002 0.000 0.861 98 E CB -0.449 29.252 29.700 0.002 0.000 0.788 98 E HN 0.651 nan 8.360 nan 0.000 0.521 99 T N -3.185 111.370 114.554 0.002 0.000 3.043 99 T HA 0.151 4.501 4.350 -0.000 0.000 0.272 99 T C 0.375 175.077 174.700 0.004 0.000 0.990 99 T CA -0.346 61.755 62.100 0.003 0.000 0.897 99 T CB 0.532 69.402 68.868 0.003 0.000 1.111 99 T HN -0.062 nan 8.240 nan 0.000 0.529 100 T N 2.774 117.330 114.554 0.002 0.000 2.795 100 T HA 0.756 5.106 4.350 -0.000 0.000 0.282 100 T C -0.294 174.409 174.700 0.005 0.000 0.980 100 T CA -0.550 61.551 62.100 0.001 0.000 1.012 100 T CB 1.458 70.323 68.868 -0.006 0.000 0.936 100 T HN 0.474 nan 8.240 nan 0.000 0.457 101 A N 2.955 125.781 122.820 0.010 0.000 2.330 101 A HA 0.774 5.094 4.320 -0.000 0.000 0.327 101 A C 0.089 177.684 177.584 0.018 0.000 1.155 101 A CA -0.688 51.359 52.037 0.017 0.000 0.803 101 A CB 0.843 19.856 19.000 0.022 0.000 1.208 101 A HN 0.722 nan 8.150 nan 0.000 0.477 102 T N 2.781 117.348 114.554 0.023 0.000 2.863 102 T HA 0.617 4.967 4.350 -0.000 0.000 0.285 102 T C -0.987 173.747 174.700 0.058 0.000 1.009 102 T CA -0.436 61.679 62.100 0.024 0.000 0.989 102 T CB 1.243 70.109 68.868 -0.004 0.000 1.004 102 T HN 0.559 nan 8.240 nan 0.000 0.455 103 L N 2.453 123.723 121.223 0.077 0.000 2.439 103 L HA 0.716 5.056 4.340 -0.000 0.000 0.270 103 L C -0.550 176.417 176.870 0.163 0.000 0.972 103 L CA -0.862 54.045 54.840 0.112 0.000 0.836 103 L CB 1.366 43.482 42.059 0.096 0.000 1.255 103 L HN 0.858 nan 8.230 nan 0.000 0.404 104 A N 3.337 126.285 122.820 0.213 0.000 2.409 104 A HA 0.634 4.954 4.320 -0.000 0.000 0.262 104 A C 0.288 177.990 177.584 0.197 0.000 1.113 104 A CA 0.052 52.251 52.037 0.271 0.000 0.790 104 A CB 0.403 19.540 19.000 0.228 0.000 1.046 104 A HN 0.773 nan 8.150 nan 0.000 0.496 105 T N -1.616 113.042 114.554 0.173 0.000 2.858 105 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 105 T C -0.418 174.317 174.700 0.057 0.000 1.052 105 T CA -0.674 61.523 62.100 0.161 0.000 1.009 105 T CB 1.015 69.982 68.868 0.166 0.000 1.241 105 T HN 0.520 nan 8.240 nan 0.000 0.542 106 V N 2.129 122.056 119.914 0.022 0.000 2.223 106 V HA 0.562 4.682 4.120 -0.000 0.000 0.249 106 V C 1.329 177.429 176.094 0.010 0.000 1.233 106 V CA 0.684 62.944 62.300 -0.066 0.000 1.131 106 V CB -1.142 30.575 31.823 -0.177 0.000 1.298 106 V HN 1.488 nan 8.190 nan 0.000 0.498 107 G N 3.811 112.621 108.800 0.017 0.000 2.828 107 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.463 107 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.463 107 G C 0.770 175.708 174.900 0.063 0.000 1.394 107 G CA -0.229 44.894 45.100 0.038 0.000 0.862 107 G HN 0.934 nan 8.290 nan 0.000 0.540 108 G N -1.484 107.345 108.800 0.048 0.000 2.422 108 G HA2 0.101 4.061 3.960 -0.000 0.000 0.218 108 G HA3 0.101 4.061 3.960 -0.000 0.000 0.218 108 G C 1.834 176.792 174.900 0.097 0.000 1.140 108 G CA 2.328 47.456 45.100 0.046 0.000 0.775 108 G HN 1.206 nan 8.290 nan 0.000 0.545 109 T N 0.999 115.633 114.554 0.134 0.000 2.746 109 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 109 T C 2.509 177.302 174.700 0.156 0.000 1.039 109 T CA 1.426 63.648 62.100 0.204 0.000 1.142 109 T CB -0.514 68.493 68.868 0.231 0.000 0.866 109 T HN 0.340 nan 8.240 nan 0.000 0.444 110 G N 0.968 109.844 108.800 0.128 0.000 2.432 110 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.219 110 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.219 110 G C 1.789 176.776 174.900 0.145 0.000 1.135 110 G CA 0.854 46.038 45.100 0.141 0.000 0.767 110 G HN 0.581 nan 8.290 nan 0.000 0.550 111 A N 0.372 123.270 122.820 0.130 0.000 1.969 111 A HA 0.164 4.484 4.320 -0.000 0.000 0.218 111 A C 2.405 180.061 177.584 0.120 0.000 1.169 111 A CA 1.025 53.133 52.037 0.119 0.000 0.635 111 A CB -0.282 18.779 19.000 0.101 0.000 0.810 111 A HN 0.364 nan 8.150 nan 0.000 0.445 112 L N -1.221 120.085 121.223 0.140 0.000 1.988 112 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 112 L C 2.751 179.706 176.870 0.142 0.000 1.071 112 L CA 1.757 56.691 54.840 0.157 0.000 0.744 112 L CB -0.485 41.712 42.059 0.230 0.000 0.893 112 L HN 0.384 nan 8.230 nan 0.000 0.433 113 R N 0.323 120.908 120.500 0.142 0.000 2.096 113 R HA -0.239 4.101 4.340 -0.000 0.000 0.240 113 R C 2.232 178.600 176.300 0.114 0.000 1.139 113 R CA 1.725 57.902 56.100 0.128 0.000 0.952 113 R CB -0.508 29.864 30.300 0.121 0.000 0.854 113 R HN 0.194 nan 8.270 nan 0.000 0.436 114 Q N -0.433 119.434 119.800 0.111 0.000 2.124 114 Q HA 0.065 4.405 4.340 -0.000 0.000 0.202 114 Q C 1.930 177.982 176.000 0.087 0.000 0.977 114 Q CA 2.029 57.888 55.803 0.093 0.000 0.850 114 Q CB -0.408 28.390 28.738 0.099 0.000 0.901 114 Q HN 0.480 nan 8.270 nan 0.000 0.429 115 A N -0.245 122.630 122.820 0.093 0.000 1.902 115 A HA -0.136 4.183 4.320 -0.000 0.000 0.217 115 A C 1.998 179.630 177.584 0.081 0.000 1.181 115 A CA 1.246 53.333 52.037 0.083 0.000 0.623 115 A CB -0.669 18.382 19.000 0.086 0.000 0.818 115 A HN 0.400 nan 8.150 nan 0.000 0.443 116 L N -0.643 120.634 121.223 0.090 0.000 2.141 116 L HA -0.129 4.210 4.340 -0.000 0.000 0.209 116 L C 2.546 179.462 176.870 0.077 0.000 1.094 116 L CA 1.012 55.903 54.840 0.085 0.000 0.763 116 L CB -0.456 41.662 42.059 0.098 0.000 0.908 116 L HN 0.352 nan 8.230 nan 0.000 0.437 117 E N 0.023 120.271 120.200 0.080 0.000 2.107 117 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 117 E C 2.145 178.785 176.600 0.067 0.000 0.982 117 E CA 0.914 57.358 56.400 0.074 0.000 0.809 117 E CB -0.172 29.574 29.700 0.077 0.000 0.756 117 E HN 0.284 nan 8.360 nan 0.000 0.459 118 L N 1.154 122.417 121.223 0.067 0.000 2.005 118 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 118 L C 2.258 179.156 176.870 0.046 0.000 1.072 118 L CA 2.107 56.981 54.840 0.057 0.000 0.744 118 L CB -0.734 41.360 42.059 0.057 0.000 0.895 118 L HN 0.027 nan 8.230 nan 0.000 0.433 119 A N -0.546 122.305 122.820 0.051 0.000 1.902 119 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 119 A C 2.540 180.148 177.584 0.041 0.000 1.181 119 A CA 1.774 53.839 52.037 0.047 0.000 0.623 119 A CB -0.665 18.369 19.000 0.056 0.000 0.818 119 A HN 0.502 nan 8.150 nan 0.000 0.443 120 R N -1.026 119.500 120.500 0.043 0.000 2.115 120 R HA -0.039 4.301 4.340 -0.000 0.000 0.230 120 R C 2.123 178.439 176.300 0.026 0.000 1.111 120 R CA 1.513 57.634 56.100 0.035 0.000 0.976 120 R CB -0.281 30.041 30.300 0.037 0.000 0.870 120 R HN 0.559 nan 8.270 nan 0.000 0.445 121 M N -0.412 119.204 119.600 0.027 0.000 2.117 121 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 121 M C 2.315 178.617 176.300 0.003 0.000 1.065 121 M CA 1.871 57.179 55.300 0.013 0.000 1.114 121 M CB -0.133 32.473 32.600 0.011 0.000 1.361 121 M HN 0.296 nan 8.290 nan 0.000 0.408 122 A N -0.193 122.633 122.820 0.009 0.000 2.066 122 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 122 A C 0.807 178.398 177.584 0.011 0.000 1.157 122 A CA 1.196 53.237 52.037 0.007 0.000 0.670 122 A CB -0.271 18.737 19.000 0.012 0.000 0.804 122 A HN 0.530 nan 8.150 nan 0.000 0.453 123 N N -1.587 117.123 118.700 0.017 0.000 2.701 123 N HA 0.288 5.028 4.740 -0.000 0.000 0.258 123 N C -2.888 172.634 175.510 0.019 0.000 1.262 123 N CA -1.598 51.463 53.050 0.019 0.000 0.780 123 N CB 1.270 39.774 38.487 0.028 0.000 1.380 123 N HN -0.221 nan 8.380 nan 0.000 0.548 124 P HA 0.023 nan 4.420 nan 0.000 0.225 124 P C -0.334 176.972 177.300 0.011 0.000 1.148 124 P CA 1.039 64.145 63.100 0.010 0.000 0.779 124 P CB 0.297 31.999 31.700 0.004 0.000 0.780 125 D N -0.491 119.918 120.400 0.014 0.000 2.525 125 D HA 0.066 4.706 4.640 -0.000 0.000 0.229 125 D C 0.700 177.015 176.300 0.025 0.000 1.202 125 D CA -0.065 53.944 54.000 0.015 0.000 0.828 125 D CB 0.201 41.010 40.800 0.015 0.000 1.008 125 D HN 0.108 nan 8.370 nan 0.000 0.493 134 F N 4.110 124.136 119.950 0.127 0.000 2.405 134 F HA 0.745 5.272 4.527 -0.000 0.000 0.355 134 F C 0.414 176.371 175.800 0.261 0.000 1.121 134 F CA -0.573 57.553 58.000 0.211 0.000 1.112 134 F CB 1.869 41.032 39.000 0.272 0.000 1.126 134 F HN 0.439 nan 8.300 nan 0.000 0.481 135 V N 0.098 120.156 119.914 0.241 0.000 2.919 135 V HA 0.762 4.882 4.120 -0.000 0.000 0.316 135 V C -0.083 175.713 176.094 -0.496 0.000 1.077 135 V CA -1.157 61.162 62.300 0.031 0.000 0.977 135 V CB 1.348 33.178 31.823 0.012 0.000 1.039 135 V HN 0.716 nan 8.190 nan 0.000 0.441 136 S N 0.671 115.951 115.700 -0.700 0.000 2.593 136 S HA 0.383 4.853 4.470 -0.000 0.000 0.269 136 S C -0.335 174.052 174.600 -0.355 0.000 1.334 136 S CA -0.118 57.477 58.200 -1.008 0.000 1.015 136 S CB 0.932 63.752 63.200 -0.633 0.000 0.912 136 S HN 1.108 nan 8.310 nan 0.000 0.541 137 D N 2.008 122.288 120.400 -0.200 0.000 2.460 137 D HA 0.490 5.130 4.640 -0.000 0.000 0.232 137 D C -2.148 174.219 176.300 0.112 0.000 1.079 137 D CA -1.885 52.108 54.000 -0.011 0.000 0.864 137 D CB 1.141 41.955 40.800 0.024 0.000 1.048 137 D HN 0.333 nan 8.370 nan 0.000 0.523 138 P HA 0.380 nan 4.420 nan 0.000 0.310 138 P C -0.566 176.778 177.300 0.073 0.000 1.309 138 P CA -0.477 62.651 63.100 0.047 0.000 0.769 138 P CB 1.774 33.485 31.700 0.017 0.000 1.327 139 T N -2.356 112.246 114.554 0.081 0.000 2.762 139 T HA 0.316 4.666 4.350 -0.000 0.000 0.301 139 T C -1.897 172.936 174.700 0.222 0.000 1.299 139 T CA -0.452 61.756 62.100 0.180 0.000 1.005 139 T CB 0.175 69.221 68.868 0.297 0.000 1.377 139 T HN 0.317 nan 8.240 nan 0.000 0.504 140 W N 3.962 125.319 121.300 0.094 0.000 2.417 140 W HA 0.287 4.947 4.660 -0.000 0.000 0.332 140 W C -2.038 174.395 176.519 -0.143 0.000 1.413 140 W CA -1.452 55.795 57.345 -0.163 0.000 1.299 140 W CB 0.257 29.427 29.460 -0.484 0.000 1.304 140 W HN 0.587 nan 8.180 nan 0.000 0.565 141 P HA -0.334 nan 4.420 nan 0.000 0.218 141 P C 1.491 178.534 177.300 -0.430 0.000 1.154 141 P CA 2.081 64.991 63.100 -0.316 0.000 0.872 141 P CB 0.230 31.726 31.700 -0.340 0.000 0.790 142 N N -1.619 116.535 118.700 -0.910 0.000 2.364 142 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 142 N C 1.606 176.923 175.510 -0.323 0.000 1.022 142 N CA 0.963 53.529 53.050 -0.808 0.000 0.883 142 N CB -0.447 37.135 38.487 -1.509 0.000 0.965 142 N HN 0.427 nan 8.380 nan 0.000 0.438 143 H N -0.393 118.611 119.070 -0.110 0.000 2.270 143 H HA -0.052 4.504 4.556 -0.000 0.000 0.299 143 H C 2.126 177.460 175.328 0.010 0.000 1.077 143 H CA 1.453 57.532 56.048 0.050 0.000 1.294 143 H CB 0.158 29.995 29.762 0.126 0.000 1.371 143 H HN -0.041 nan 8.280 nan 0.000 0.491 144 V N -0.083 119.906 119.914 0.125 0.000 2.343 144 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 144 V C 2.528 178.640 176.094 0.029 0.000 1.051 144 V CA 1.777 64.113 62.300 0.059 0.000 1.036 144 V CB -0.562 31.278 31.823 0.027 0.000 0.654 144 V HN 0.408 nan 8.190 nan 0.000 0.451 145 S N 0.057 115.743 115.700 -0.024 0.000 2.359 145 S HA -0.230 4.240 4.470 -0.000 0.000 0.222 145 S C 1.910 176.533 174.600 0.037 0.000 1.038 145 S CA 2.275 60.456 58.200 -0.032 0.000 1.051 145 S CB -0.393 62.730 63.200 -0.127 0.000 0.944 145 S HN 0.530 nan 8.310 nan 0.000 0.433 146 I N 0.768 121.358 120.570 0.033 0.000 2.226 146 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 146 I C 2.627 178.851 176.117 0.179 0.000 1.100 146 I CA 1.453 62.818 61.300 0.107 0.000 1.374 146 I CB -0.396 37.656 38.000 0.087 0.000 1.057 146 I HN 0.361 nan 8.210 nan 0.000 0.413 147 M N 0.401 120.075 119.600 0.124 0.000 2.108 147 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 147 M C 2.091 178.442 176.300 0.086 0.000 1.066 147 M CA 1.770 57.129 55.300 0.099 0.000 1.107 147 M CB -0.530 32.113 32.600 0.073 0.000 1.356 147 M HN 0.245 nan 8.290 nan 0.000 0.406 148 N N 0.299 119.049 118.700 0.084 0.000 2.043 148 N HA -0.177 4.563 4.740 -0.000 0.000 0.193 148 N C 1.568 177.131 175.510 0.088 0.000 1.037 148 N CA 1.414 54.503 53.050 0.065 0.000 0.851 148 N CB -0.682 37.840 38.487 0.058 0.000 1.027 148 N HN 0.289 nan 8.380 nan 0.000 0.422 149 F N 1.516 121.461 119.950 -0.007 0.000 2.091 149 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 149 F C 2.201 178.002 175.800 0.002 0.000 1.103 149 F CA 1.411 59.408 58.000 -0.005 0.000 1.228 149 F CB -0.262 38.735 39.000 -0.005 0.000 0.984 149 F HN -0.033 nan 8.300 nan 0.000 0.477 150 M N -0.232 119.382 119.600 0.022 0.000 2.557 150 M HA 0.121 4.601 4.480 -0.000 0.000 0.259 150 M C 1.330 177.573 176.300 -0.095 0.000 1.086 150 M CA 1.044 56.299 55.300 -0.075 0.000 1.096 150 M CB -0.534 32.108 32.600 0.071 0.000 1.424 150 M HN 0.386 nan 8.290 nan 0.000 0.488 151 G N 1.431 110.190 108.800 -0.068 0.000 2.225 151 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.264 151 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.264 151 G C -0.367 174.517 174.900 -0.028 0.000 1.060 151 G CA -0.328 44.738 45.100 -0.056 0.000 0.833 151 G HN 0.247 nan 8.290 nan 0.000 0.498 155 V N 3.335 123.199 119.914 -0.083 0.000 2.384 155 V HA 0.485 4.605 4.120 -0.000 0.000 0.287 155 V C -0.128 175.871 176.094 -0.159 0.000 1.020 155 V CA -0.524 61.715 62.300 -0.103 0.000 0.850 155 V CB 1.595 33.392 31.823 -0.042 0.000 0.987 155 V HN 0.455 nan 8.190 nan 0.000 0.436 156 Q N 2.481 122.105 119.800 -0.293 0.000 2.241 156 Q HA 0.704 5.044 4.340 -0.000 0.000 0.262 156 Q C -0.078 175.844 176.000 -0.131 0.000 1.014 156 Q CA -0.577 55.029 55.803 -0.327 0.000 0.885 156 Q CB 2.441 30.661 28.738 -0.862 0.000 1.311 156 Q HN 0.878 nan 8.270 nan 0.000 0.461 157 T N -1.840 112.716 114.554 0.004 0.000 2.916 157 T HA 0.718 5.068 4.350 -0.000 0.000 0.292 157 T C -0.822 174.011 174.700 0.221 0.000 1.055 157 T CA -0.751 61.382 62.100 0.056 0.000 1.009 157 T CB 0.910 69.774 68.868 -0.007 0.000 1.118 157 T HN 0.497 nan 8.240 nan 0.000 0.497 158 Y N -0.851 119.576 120.300 0.212 0.000 2.446 158 Y HA 0.761 5.311 4.550 -0.000 0.000 0.345 158 Y C 0.036 176.037 175.900 0.168 0.000 0.984 158 Y CA -1.680 56.538 58.100 0.197 0.000 1.058 158 Y CB 1.177 39.753 38.460 0.194 0.000 1.220 158 Y HN 0.651 nan 8.280 nan 0.000 0.455 159 R N 1.882 122.553 120.500 0.285 0.000 2.623 159 R HA 0.098 4.438 4.340 -0.000 0.000 0.271 159 R C -0.856 175.640 176.300 0.327 0.000 1.043 159 R CA 0.477 56.700 56.100 0.205 0.000 1.083 159 R CB 0.310 30.684 30.300 0.123 0.000 0.974 159 R HN 0.977 nan 8.270 nan 0.000 0.436 160 Y N 2.026 122.389 120.300 0.104 0.000 3.189 160 Y HA 0.192 4.742 4.550 -0.000 0.000 0.213 160 Y C -0.588 175.361 175.900 0.082 0.000 1.032 160 Y CA -0.379 57.784 58.100 0.105 0.000 1.482 160 Y CB 0.373 38.849 38.460 0.027 0.000 1.460 160 Y HN 0.474 nan 8.280 nan 0.000 0.398 161 F N 3.258 123.230 119.950 0.038 0.000 2.396 161 F HA 0.316 4.843 4.527 -0.000 0.000 0.343 161 F C -0.164 175.600 175.800 -0.060 0.000 1.104 161 F CA -0.891 57.076 58.000 -0.054 0.000 1.161 161 F CB 0.554 39.568 39.000 0.023 0.000 1.146 161 F HN 0.063 nan 8.300 nan 0.000 0.522 162 D N 4.859 124.819 120.400 -0.735 0.000 2.412 162 D HA 0.300 4.940 4.640 -0.000 0.000 0.224 162 D C 0.686 176.498 176.300 -0.814 0.000 1.093 162 D CA 0.003 53.674 54.000 -0.548 0.000 0.850 162 D CB 1.657 42.223 40.800 -0.391 0.000 1.046 162 D HN 0.718 nan 8.370 nan 0.000 0.507 163 A N 4.220 126.760 122.820 -0.467 0.000 1.978 163 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 163 A C 1.846 179.270 177.584 -0.268 0.000 1.170 163 A CA 1.377 53.234 52.037 -0.300 0.000 0.636 163 A CB -0.270 18.692 19.000 -0.063 0.000 0.810 163 A HN 0.734 nan 8.150 nan 0.000 0.448 164 E N -0.166 119.890 120.200 -0.240 0.000 2.005 164 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 164 E C 2.072 178.547 176.600 -0.209 0.000 0.987 164 E CA 1.945 58.239 56.400 -0.177 0.000 0.814 164 E CB -0.305 29.317 29.700 -0.130 0.000 0.772 164 E HN 0.625 nan 8.360 nan 0.000 0.453 165 T N -1.910 112.507 114.554 -0.229 0.000 3.072 165 T HA 0.029 4.379 4.350 -0.000 0.000 0.266 165 T C 0.984 175.534 174.700 -0.250 0.000 1.127 165 T CA 0.765 62.752 62.100 -0.189 0.000 1.107 165 T CB -0.110 68.671 68.868 -0.145 0.000 0.910 165 T HN 0.255 nan 8.240 nan 0.000 0.513 166 R N -0.110 120.116 120.500 -0.457 0.000 3.994 166 R HA -0.111 4.229 4.340 -0.000 0.000 0.403 166 R C 0.816 177.027 176.300 -0.148 0.000 1.126 166 R CA 0.909 56.719 56.100 -0.484 0.000 1.143 166 R CB -1.953 27.958 30.300 -0.649 0.000 1.695 166 R HN 0.729 nan 8.270 nan 0.000 0.555 167 G N -1.425 107.225 108.800 -0.251 0.000 2.849 167 G HA2 0.572 4.532 3.960 -0.000 0.000 0.174 167 G HA3 0.572 4.532 3.960 -0.000 0.000 0.174 167 G C -0.752 174.010 174.900 -0.230 0.000 1.370 167 G CA -0.028 45.020 45.100 -0.087 0.000 1.040 167 G HN 0.048 nan 8.290 nan 0.000 0.582 168 V N 0.724 120.502 119.914 -0.227 0.000 2.459 168 V HA 0.276 4.396 4.120 -0.000 0.000 0.295 168 V C -0.747 175.217 176.094 -0.216 0.000 1.029 168 V CA -0.431 61.659 62.300 -0.350 0.000 0.874 168 V CB 1.631 33.162 31.823 -0.488 0.000 0.985 168 V HN 0.701 nan 8.190 nan 0.000 0.438 169 D N 3.257 123.541 120.400 -0.194 0.000 2.619 169 D HA 0.083 4.723 4.640 -0.000 0.000 0.224 169 D C 0.850 177.144 176.300 -0.011 0.000 1.133 169 D CA -0.220 53.727 54.000 -0.088 0.000 1.017 169 D CB -0.048 40.706 40.800 -0.076 0.000 1.077 169 D HN 0.387 nan 8.370 nan 0.000 0.503 170 F N 1.746 121.599 119.950 -0.162 0.000 2.161 170 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 170 F C 1.847 177.597 175.800 -0.084 0.000 1.089 170 F CA 1.311 59.230 58.000 -0.135 0.000 1.282 170 F CB 0.087 39.006 39.000 -0.135 0.000 1.010 170 F HN 0.266 nan 8.300 nan 0.000 0.485 171 E N -0.295 119.838 120.200 -0.111 0.000 2.077 171 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 171 E C 2.520 179.024 176.600 -0.160 0.000 0.989 171 E CA 1.355 57.651 56.400 -0.173 0.000 0.800 171 E CB -1.005 28.650 29.700 -0.076 0.000 0.746 171 E HN 0.418 nan 8.360 nan 0.000 0.452 172 G N 0.201 108.949 108.800 -0.087 0.000 2.422 172 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 172 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 172 G C 1.590 176.475 174.900 -0.026 0.000 1.140 172 G CA 0.827 45.904 45.100 -0.040 0.000 0.775 172 G HN 0.236 nan 8.290 nan 0.000 0.545 173 M N 0.150 119.723 119.600 -0.046 0.000 2.086 173 M HA 0.019 4.499 4.480 -0.000 0.000 0.261 173 M C 2.531 178.718 176.300 -0.188 0.000 1.067 173 M CA 1.552 56.847 55.300 -0.008 0.000 1.116 173 M CB -0.117 32.514 32.600 0.051 0.000 1.348 173 M HN 0.089 nan 8.290 nan 0.000 0.407 174 K N 0.182 120.356 120.400 -0.377 0.000 2.097 174 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 174 K C 2.001 178.466 176.600 -0.226 0.000 1.049 174 K CA 1.303 57.359 56.287 -0.385 0.000 0.933 174 K CB -0.301 31.879 32.500 -0.533 0.000 0.717 174 K HN 0.449 nan 8.250 nan 0.000 0.442 175 A N 2.245 124.965 122.820 -0.167 0.000 1.858 175 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 175 A C 1.619 179.168 177.584 -0.058 0.000 1.190 175 A CA 2.051 54.032 52.037 -0.094 0.000 0.617 175 A CB -0.500 18.464 19.000 -0.061 0.000 0.827 175 A HN 0.185 nan 8.150 nan 0.000 0.443 176 D N 0.011 120.400 120.400 -0.018 0.000 2.178 176 D HA -0.063 4.577 4.640 -0.000 0.000 0.202 176 D C 1.887 178.154 176.300 -0.056 0.000 0.974 176 D CA 0.748 54.778 54.000 0.050 0.000 0.841 176 D CB -0.326 40.581 40.800 0.178 0.000 0.953 176 D HN 0.455 nan 8.370 nan 0.000 0.478 177 L N 0.538 121.652 121.223 -0.183 0.000 2.156 177 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 177 L C 2.405 179.095 176.870 -0.299 0.000 1.095 177 L CA 0.787 55.411 54.840 -0.360 0.000 0.770 177 L CB -0.397 41.441 42.059 -0.369 0.000 0.914 177 L HN -0.019 nan 8.230 nan 0.000 0.439 178 A N 0.165 122.873 122.820 -0.186 0.000 2.070 178 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 178 A C 2.377 179.902 177.584 -0.098 0.000 1.159 178 A CA 1.481 53.439 52.037 -0.131 0.000 0.656 178 A CB -0.434 18.507 19.000 -0.098 0.000 0.800 178 A HN 0.392 nan 8.150 nan 0.000 0.453 179 A N -0.623 122.149 122.820 -0.081 0.000 2.167 179 A HA 0.553 4.873 4.320 -0.000 0.000 0.214 179 A C 1.358 178.951 177.584 0.014 0.000 1.151 179 A CA 0.707 52.743 52.037 -0.001 0.000 0.735 179 A CB -0.707 18.336 19.000 0.072 0.000 0.802 179 A HN 0.904 nan 8.150 nan 0.000 0.467 180 A N 0.769 123.484 122.820 -0.174 0.000 2.407 180 A HA 0.490 4.810 4.320 -0.000 0.000 0.248 180 A C 0.432 177.991 177.584 -0.042 0.000 1.082 180 A CA -0.077 51.834 52.037 -0.210 0.000 0.785 180 A CB 0.119 18.675 19.000 -0.740 0.000 1.020 180 A HN 0.608 nan 8.150 nan 0.000 0.489 181 K N 0.980 121.418 120.400 0.062 0.000 2.306 181 K HA 0.538 4.858 4.320 -0.000 0.000 0.236 181 K C -0.498 176.127 176.600 0.042 0.000 1.013 181 K CA -1.012 55.302 56.287 0.045 0.000 0.857 181 K CB 1.022 33.562 32.500 0.066 0.000 1.214 181 K HN 0.666 nan 8.250 nan 0.000 0.449 182 K N -0.278 120.139 120.400 0.029 0.000 2.401 182 K HA 0.261 4.581 4.320 -0.000 0.000 0.278 182 K C 0.498 177.124 176.600 0.044 0.000 1.018 182 K CA 0.427 56.731 56.287 0.028 0.000 0.981 182 K CB 0.371 32.883 32.500 0.019 0.000 0.933 182 K HN 0.895 nan 8.250 nan 0.000 0.477 183 G N 1.969 110.799 108.800 0.049 0.000 2.238 183 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 183 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 183 G C -0.584 174.365 174.900 0.082 0.000 0.996 183 G CA 0.068 45.202 45.100 0.056 0.000 0.632 183 G HN 0.705 nan 8.290 nan 0.000 0.503 184 D N 0.493 120.960 120.400 0.112 0.000 2.283 184 D HA 0.583 5.223 4.640 -0.000 0.000 0.248 184 D C 0.501 176.901 176.300 0.166 0.000 1.072 184 D CA 0.006 54.118 54.000 0.187 0.000 0.929 184 D CB 1.199 42.198 40.800 0.332 0.000 1.182 184 D HN 0.358 nan 8.370 nan 0.000 0.433 185 M N 1.483 121.209 119.600 0.209 0.000 2.294 185 M HA 0.412 4.891 4.480 -0.000 0.000 0.335 185 M C -1.707 174.738 176.300 0.242 0.000 1.079 185 M CA -0.776 54.627 55.300 0.171 0.000 0.982 185 M CB 1.430 34.109 32.600 0.132 0.000 1.651 185 M HN -0.013 nan 8.290 nan 0.000 0.437 186 V N 5.920 125.934 119.914 0.166 0.000 2.357 186 V HA 0.336 4.456 4.120 -0.000 0.000 0.284 186 V C -0.606 175.598 176.094 0.182 0.000 1.018 186 V CA -0.867 61.541 62.300 0.180 0.000 0.841 186 V CB 1.235 33.062 31.823 0.006 0.000 0.991 186 V HN 0.741 nan 8.190 nan 0.000 0.437 187 L N 7.381 128.748 121.223 0.240 0.000 2.278 187 L HA 0.527 4.867 4.340 -0.000 0.000 0.287 187 L C -0.697 176.333 176.870 0.266 0.000 1.072 187 L CA 0.366 55.302 54.840 0.160 0.000 0.819 187 L CB 0.492 42.561 42.059 0.016 0.000 1.176 187 L HN 0.360 nan 8.230 nan 0.000 0.435 188 L N 5.098 126.469 121.223 0.248 0.000 2.341 188 L HA 0.469 4.809 4.340 -0.000 0.000 0.267 188 L C -0.036 177.061 176.870 0.377 0.000 1.009 188 L CA -0.471 54.593 54.840 0.373 0.000 0.819 188 L CB 1.694 43.998 42.059 0.408 0.000 1.323 188 L HN 0.601 nan 8.230 nan 0.000 0.425 189 H N 1.081 120.325 119.070 0.291 0.000 2.517 189 H HA 0.162 4.718 4.556 -0.000 0.000 0.317 189 H C 0.840 176.425 175.328 0.429 0.000 1.080 189 H CA -0.004 56.211 56.048 0.279 0.000 1.301 189 H CB 1.903 31.795 29.762 0.218 0.000 1.425 189 H HN 0.879 nan 8.280 nan 0.000 0.471 190 G N 2.738 111.781 108.800 0.406 0.000 2.432 190 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.219 190 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.219 190 G C 0.549 175.672 174.900 0.372 0.000 1.135 190 G CA 1.074 46.361 45.100 0.313 0.000 0.767 190 G HN 0.770 nan 8.290 nan 0.000 0.550 191 C N -5.109 114.419 119.300 0.380 0.000 3.216 191 C HA 0.450 4.910 4.460 -0.000 0.000 0.346 191 C C 0.444 175.626 174.990 0.321 0.000 1.384 191 C CA -1.036 58.190 59.018 0.347 0.000 1.208 191 C CB 0.513 28.398 27.740 0.243 0.000 1.483 191 C HN 0.847 nan 8.230 nan 0.000 0.453 192 C N 1.969 121.418 119.300 0.249 0.000 3.349 192 C HA -0.131 4.329 4.460 -0.000 0.000 0.275 192 C C 0.662 175.751 174.990 0.164 0.000 1.322 192 C CA 1.167 60.269 59.018 0.140 0.000 2.261 192 C CB -3.357 24.386 27.740 0.006 0.000 1.446 192 C HN 1.235 nan 8.230 nan 0.000 0.533 193 H N 1.893 121.040 119.070 0.128 0.000 3.192 193 H HA 0.033 4.589 4.556 -0.000 0.000 0.295 193 H C 0.512 175.850 175.328 0.017 0.000 0.943 193 H CA 1.277 57.342 56.048 0.027 0.000 1.416 193 H CB 0.461 30.164 29.762 -0.099 0.000 1.434 193 H HN 0.719 nan 8.280 nan 0.000 0.565 194 N N 6.922 125.470 118.700 -0.254 0.000 2.419 194 N HA 0.159 4.899 4.740 -0.000 0.000 0.277 194 N C -2.041 173.265 175.510 -0.339 0.000 1.006 194 N CA -2.301 50.642 53.050 -0.177 0.000 0.923 194 N CB 1.623 40.058 38.487 -0.086 0.000 1.140 194 N HN 0.371 nan 8.380 nan 0.000 0.488 195 P HA 0.066 nan 4.420 nan 0.000 0.261 195 P C 0.782 178.005 177.300 -0.129 0.000 1.268 195 P CA 0.434 63.380 63.100 -0.257 0.000 0.833 195 P CB 0.273 31.826 31.700 -0.246 0.000 1.231 196 T N -3.658 110.854 114.554 -0.071 0.000 2.812 196 T HA 0.104 4.454 4.350 -0.000 0.000 0.264 196 T C 1.800 176.337 174.700 -0.271 0.000 1.042 196 T CA 1.575 63.492 62.100 -0.305 0.000 1.140 196 T CB -1.338 67.186 68.868 -0.572 0.000 0.870 196 T HN 0.189 nan 8.240 nan 0.000 0.445 197 G N 1.410 110.172 108.800 -0.063 0.000 2.176 197 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.253 197 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.253 197 G C 0.216 174.995 174.900 -0.200 0.000 0.979 197 G CA 0.047 45.090 45.100 -0.096 0.000 0.641 197 G HN 1.287 nan 8.290 nan 0.000 0.530 198 A N 0.234 122.955 122.820 -0.165 0.000 2.289 198 A HA 0.710 5.030 4.320 -0.000 0.000 0.298 198 A C 0.208 177.876 177.584 0.140 0.000 1.208 198 A CA -0.270 51.770 52.037 0.006 0.000 0.845 198 A CB 0.448 19.524 19.000 0.126 0.000 1.125 198 A HN 0.347 nan 8.150 nan 0.000 0.517 199 N N 1.308 120.088 118.700 0.134 0.000 2.380 199 N HA 0.517 5.257 4.740 -0.000 0.000 0.290 199 N C -1.074 174.472 175.510 0.059 0.000 1.236 199 N CA -0.549 52.614 53.050 0.187 0.000 0.780 199 N CB 1.498 40.121 38.487 0.227 0.000 1.438 199 N HN 0.545 nan 8.380 nan 0.000 0.491 200 L N 0.814 122.061 121.223 0.041 0.000 2.357 200 L HA 0.350 4.690 4.340 -0.000 0.000 0.273 200 L C 1.291 178.153 176.870 -0.012 0.000 1.080 200 L CA -0.579 54.142 54.840 -0.197 0.000 0.803 200 L CB 1.119 42.789 42.059 -0.648 0.000 1.174 200 L HN 0.650 nan 8.230 nan 0.000 0.443 201 T N -0.992 113.505 114.554 -0.096 0.000 2.847 201 T HA 0.170 4.520 4.350 -0.000 0.000 0.279 201 T C 0.895 175.704 174.700 0.181 0.000 0.984 201 T CA -0.730 61.396 62.100 0.042 0.000 0.988 201 T CB 1.164 70.007 68.868 -0.042 0.000 1.040 201 T HN 0.430 nan 8.240 nan 0.000 0.528 202 L N 0.642 121.991 121.223 0.210 0.000 2.131 202 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 202 L C 2.142 179.116 176.870 0.173 0.000 1.092 202 L CA 1.813 56.802 54.840 0.248 0.000 0.759 202 L CB -0.994 41.138 42.059 0.121 0.000 0.903 202 L HN 0.738 nan 8.230 nan 0.000 0.435 203 D N -1.000 119.438 120.400 0.064 0.000 2.117 203 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 203 D C 1.998 178.286 176.300 -0.019 0.000 0.987 203 D CA 1.376 55.389 54.000 0.021 0.000 0.829 203 D CB 0.020 40.808 40.800 -0.021 0.000 0.961 203 D HN 0.564 nan 8.370 nan 0.000 0.460 204 Q N -0.503 119.185 119.800 -0.187 0.000 2.170 204 Q HA -0.157 4.183 4.340 -0.000 0.000 0.203 204 Q C 2.123 178.047 176.000 -0.128 0.000 0.976 204 Q CA 0.980 56.494 55.803 -0.482 0.000 0.858 204 Q CB -0.153 27.963 28.738 -1.037 0.000 0.907 204 Q HN 0.439 nan 8.270 nan 0.000 0.433 205 W N 0.697 121.983 121.300 -0.023 0.000 2.381 205 W HA -0.105 4.555 4.660 -0.000 0.000 0.301 205 W C 2.550 179.107 176.519 0.063 0.000 1.205 205 W CA 0.992 58.366 57.345 0.048 0.000 1.285 205 W CB -0.206 29.278 29.460 0.039 0.000 1.133 205 W HN 0.142 nan 8.180 nan 0.000 0.521 206 A N 0.128 123.113 122.820 0.274 0.000 1.902 206 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 206 A C 1.758 179.436 177.584 0.157 0.000 1.181 206 A CA 2.049 54.194 52.037 0.179 0.000 0.623 206 A CB -0.887 18.187 19.000 0.124 0.000 0.818 206 A HN 0.311 nan 8.150 nan 0.000 0.443 207 E N 0.053 120.359 120.200 0.177 0.000 2.038 207 E HA -0.183 4.166 4.350 -0.000 0.000 0.195 207 E C 1.771 178.460 176.600 0.148 0.000 1.000 207 E CA 1.599 58.112 56.400 0.189 0.000 0.803 207 E CB -0.233 29.690 29.700 0.372 0.000 0.750 207 E HN 0.467 nan 8.360 nan 0.000 0.448 208 I N 0.892 121.574 120.570 0.187 0.000 2.264 208 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 208 I C 2.343 178.513 176.117 0.088 0.000 1.111 208 I CA 1.430 62.791 61.300 0.101 0.000 1.382 208 I CB -1.666 36.386 38.000 0.086 0.000 1.060 208 I HN 0.216 nan 8.210 nan 0.000 0.418 209 A N 0.368 123.271 122.820 0.137 0.000 1.933 209 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 209 A C 2.584 180.203 177.584 0.058 0.000 1.175 209 A CA 1.954 54.056 52.037 0.107 0.000 0.628 209 A CB -0.676 18.396 19.000 0.120 0.000 0.814 209 A HN 0.424 nan 8.150 nan 0.000 0.444 210 S N 0.046 115.777 115.700 0.052 0.000 2.359 210 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 210 S C 1.815 176.414 174.600 -0.001 0.000 1.035 210 S CA 1.613 59.828 58.200 0.026 0.000 1.018 210 S CB -0.532 62.684 63.200 0.027 0.000 0.876 210 S HN 0.557 nan 8.310 nan 0.000 0.448 211 I N 1.446 122.005 120.570 -0.019 0.000 2.142 211 I HA -0.201 3.969 4.170 -0.000 0.000 0.240 211 I C 2.157 178.240 176.117 -0.056 0.000 1.078 211 I CA 1.155 62.420 61.300 -0.058 0.000 1.343 211 I CB -0.484 37.453 38.000 -0.104 0.000 1.046 211 I HN 0.221 nan 8.210 nan 0.000 0.405 212 L N 0.699 121.899 121.223 -0.039 0.000 2.042 212 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 212 L C 2.728 179.590 176.870 -0.014 0.000 1.076 212 L CA 1.893 56.716 54.840 -0.030 0.000 0.749 212 L CB -0.815 41.247 42.059 0.006 0.000 0.893 212 L HN 0.435 nan 8.230 nan 0.000 0.432 213 E N 0.154 120.353 120.200 -0.001 0.000 2.152 213 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 213 E C 1.983 178.579 176.600 -0.006 0.000 0.983 213 E CA 0.784 57.186 56.400 0.003 0.000 0.818 213 E CB -0.136 29.571 29.700 0.012 0.000 0.758 213 E HN 0.447 nan 8.360 nan 0.000 0.467 214 K N 0.607 120.998 120.400 -0.015 0.000 2.062 214 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 214 K C 2.396 178.982 176.600 -0.023 0.000 1.051 214 K CA 1.908 58.184 56.287 -0.019 0.000 0.941 214 K CB -0.036 32.449 32.500 -0.025 0.000 0.719 214 K HN 0.303 nan 8.250 nan 0.000 0.440 215 T N -3.206 111.326 114.554 -0.037 0.000 3.054 215 T HA 0.114 4.464 4.350 -0.000 0.000 0.259 215 T C 1.367 176.053 174.700 -0.023 0.000 1.092 215 T CA 0.571 62.648 62.100 -0.039 0.000 1.121 215 T CB 0.289 69.111 68.868 -0.076 0.000 0.912 215 T HN 0.320 nan 8.240 nan 0.000 0.489 216 G N 1.481 110.271 108.800 -0.017 0.000 2.147 216 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.244 216 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.244 216 G C 0.180 175.082 174.900 0.003 0.000 1.005 216 G CA -0.097 45.002 45.100 -0.002 0.000 0.713 216 G HN 1.170 nan 8.290 nan 0.000 0.515 217 A N -0.353 122.460 122.820 -0.012 0.000 2.363 217 A HA 0.713 5.033 4.320 -0.000 0.000 0.270 217 A C 0.395 177.990 177.584 0.018 0.000 1.121 217 A CA -0.121 51.915 52.037 -0.002 0.000 0.800 217 A CB 0.849 19.816 19.000 -0.055 0.000 1.052 217 A HN 1.576 nan 8.150 nan 0.000 0.493 218 L N 5.616 126.864 121.223 0.042 0.000 2.315 218 L HA 0.429 4.769 4.340 -0.000 0.000 0.283 218 L C -2.115 174.793 176.870 0.063 0.000 1.089 218 L CA -1.515 53.355 54.840 0.050 0.000 0.833 218 L CB 0.720 42.812 42.059 0.055 0.000 1.170 218 L HN 0.435 nan 8.230 nan 0.000 0.442 219 P HA 0.200 nan 4.420 nan 0.000 0.285 219 P C -1.373 175.981 177.300 0.090 0.000 1.259 219 P CA -0.604 62.548 63.100 0.087 0.000 0.794 219 P CB 1.734 33.495 31.700 0.102 0.000 0.940 220 L N 5.027 126.310 121.223 0.100 0.000 2.319 220 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 220 L C -0.838 176.090 176.870 0.098 0.000 1.005 220 L CA -0.694 54.198 54.840 0.086 0.000 0.828 220 L CB 0.568 42.673 42.059 0.076 0.000 1.227 220 L HN 0.243 nan 8.230 nan 0.000 0.415 221 I N 4.468 125.094 120.570 0.092 0.000 2.336 221 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 221 I C -0.504 175.656 176.117 0.072 0.000 0.991 221 I CA -0.503 60.862 61.300 0.109 0.000 1.227 221 I CB 1.505 39.566 38.000 0.100 0.000 1.366 221 I HN 0.560 nan 8.210 nan 0.000 0.466 222 D N 7.482 127.914 120.400 0.053 0.000 2.396 222 D HA 0.232 4.872 4.640 -0.000 0.000 0.225 222 D C -1.090 175.232 176.300 0.038 0.000 1.121 222 D CA -0.372 53.636 54.000 0.015 0.000 0.853 222 D CB 1.291 42.054 40.800 -0.062 0.000 1.043 222 D HN 0.198 nan 8.370 nan 0.000 0.500 223 L N 4.223 125.470 121.223 0.040 0.000 2.335 223 L HA 0.555 4.895 4.340 -0.000 0.000 0.268 223 L C 0.393 177.276 176.870 0.023 0.000 1.037 223 L CA -0.252 54.625 54.840 0.062 0.000 0.895 223 L CB 0.931 43.021 42.059 0.052 0.000 1.266 223 L HN 0.456 nan 8.230 nan 0.000 0.439 224 A N 3.721 126.546 122.820 0.008 0.000 2.382 224 A HA 0.277 4.597 4.320 -0.000 0.000 0.228 224 A C 0.187 177.564 177.584 -0.345 0.000 1.217 224 A CA 0.226 52.151 52.037 -0.186 0.000 0.923 224 A CB 0.075 18.870 19.000 -0.342 0.000 0.979 224 A HN 0.611 nan 8.150 nan 0.000 0.515 225 Y N -0.053 120.301 120.300 0.090 0.000 2.712 225 Y HA 0.278 4.828 4.550 -0.000 0.000 0.250 225 Y C 0.491 176.541 175.900 0.250 0.000 1.101 225 Y CA -0.665 57.548 58.100 0.187 0.000 1.118 225 Y CB 0.228 38.745 38.460 0.095 0.000 1.203 225 Y HN 0.377 nan 8.280 nan 0.000 0.587 226 Q N 1.008 120.962 119.800 0.258 0.000 2.244 226 Q HA 0.348 4.688 4.340 -0.000 0.000 0.276 226 Q C 1.059 177.120 176.000 0.102 0.000 1.122 226 Q CA 1.465 57.366 55.803 0.164 0.000 0.920 226 Q CB 0.123 28.931 28.738 0.116 0.000 1.186 226 Q HN 0.805 nan 8.270 nan 0.000 0.393 227 G N 3.325 112.138 108.800 0.023 0.000 2.380 227 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.197 227 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.197 227 G C 0.161 174.882 174.900 -0.298 0.000 1.001 227 G CA -0.075 44.895 45.100 -0.218 0.000 0.668 227 G HN 0.633 nan 8.290 nan 0.000 0.483 228 F N 2.008 121.956 119.950 -0.004 0.000 2.749 228 F HA 0.407 4.934 4.527 -0.000 0.000 0.300 228 F C 2.302 178.093 175.800 -0.015 0.000 1.103 228 F CA 0.940 58.934 58.000 -0.010 0.000 1.342 228 F CB 0.454 39.491 39.000 0.061 0.000 1.098 228 F HN 0.345 nan 8.300 nan 0.000 0.586 229 G N -0.239 108.651 108.800 0.151 0.000 2.542 229 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.211 229 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.211 229 G C 0.959 175.889 174.900 0.050 0.000 1.702 229 G CA 0.446 45.610 45.100 0.107 0.000 0.935 229 G HN 0.114 nan 8.290 nan 0.000 0.509 230 D N 0.087 120.505 120.400 0.031 0.000 2.449 230 D HA 0.344 4.984 4.640 -0.000 0.000 0.210 230 D C 1.039 177.316 176.300 -0.038 0.000 1.094 230 D CA 0.961 54.963 54.000 0.003 0.000 0.846 230 D CB 1.833 42.645 40.800 0.020 0.000 1.003 230 D HN 0.535 nan 8.370 nan 0.000 0.504 234 E N 0.853 121.018 120.200 -0.058 0.000 2.072 234 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 234 E C 1.523 178.099 176.600 -0.039 0.000 0.982 234 E CA 1.419 57.795 56.400 -0.040 0.000 0.803 234 E CB 0.135 29.812 29.700 -0.039 0.000 0.755 234 E HN 0.324 nan 8.360 nan 0.000 0.453 235 E N 1.462 121.640 120.200 -0.037 0.000 2.110 235 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 235 E C 1.332 177.922 176.600 -0.017 0.000 0.988 235 E CA 1.175 57.560 56.400 -0.025 0.000 0.804 235 E CB -0.144 29.548 29.700 -0.015 0.000 0.745 235 E HN 0.080 nan 8.360 nan 0.000 0.458 236 D N -0.699 119.698 120.400 -0.005 0.000 2.310 236 D HA -0.064 4.576 4.640 -0.000 0.000 0.212 236 D C 1.189 177.481 176.300 -0.014 0.000 0.965 236 D CA 1.174 55.188 54.000 0.024 0.000 0.879 236 D CB -0.079 40.755 40.800 0.056 0.000 0.921 236 D HN 0.299 nan 8.370 nan 0.000 0.510 237 A N 0.138 122.932 122.820 -0.044 0.000 2.267 237 A HA 0.407 4.726 4.320 -0.000 0.000 0.213 237 A C 2.142 179.638 177.584 -0.146 0.000 1.192 237 A CA 0.804 52.793 52.037 -0.079 0.000 0.851 237 A CB -0.017 18.956 19.000 -0.045 0.000 0.881 237 A HN 0.138 nan 8.150 nan 0.000 0.494 238 A N 0.279 123.014 122.820 -0.141 0.000 1.892 238 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 238 A C 2.360 179.752 177.584 -0.320 0.000 1.188 238 A CA 2.124 54.061 52.037 -0.166 0.000 0.631 238 A CB -1.382 17.556 19.000 -0.103 0.000 0.822 238 A HN 0.727 nan 8.150 nan 0.000 0.447 239 G N -1.389 107.059 108.800 -0.588 0.000 2.446 239 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 239 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 239 G C 1.589 175.921 174.900 -0.946 0.000 1.168 239 G CA 1.701 46.018 45.100 -1.306 0.000 0.771 239 G HN 0.444 nan 8.290 nan 0.000 0.551 240 T N 0.697 114.865 114.554 -0.643 0.000 2.720 240 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 240 T C 2.488 177.063 174.700 -0.209 0.000 1.037 240 T CA 1.293 63.185 62.100 -0.347 0.000 1.144 240 T CB -0.158 68.592 68.868 -0.197 0.000 0.864 240 T HN 0.286 nan 8.240 nan 0.000 0.444 241 R N 0.332 120.721 120.500 -0.185 0.000 2.148 241 R HA 0.121 4.461 4.340 -0.000 0.000 0.227 241 R C 2.434 178.679 176.300 -0.092 0.000 1.103 241 R CA 0.701 56.735 56.100 -0.110 0.000 0.983 241 R CB -0.429 29.818 30.300 -0.089 0.000 0.874 241 R HN 0.331 nan 8.270 nan 0.000 0.451 242 L N 0.461 121.608 121.223 -0.125 0.000 2.044 242 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 242 L C 1.847 178.709 176.870 -0.014 0.000 1.075 242 L CA 1.252 56.057 54.840 -0.058 0.000 0.747 242 L CB -0.074 41.958 42.059 -0.045 0.000 0.903 242 L HN 0.042 nan 8.230 nan 0.000 0.435 243 I N 0.508 121.063 120.570 -0.024 0.000 2.226 243 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 243 I C 2.688 178.815 176.117 0.017 0.000 1.100 243 I CA 1.540 62.864 61.300 0.039 0.000 1.374 243 I CB -0.924 37.120 38.000 0.074 0.000 1.057 243 I HN 0.291 nan 8.210 nan 0.000 0.413 244 A N -0.145 122.668 122.820 -0.013 0.000 1.972 244 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 244 A C 2.461 180.044 177.584 -0.003 0.000 1.169 244 A CA 2.065 54.097 52.037 -0.008 0.000 0.635 244 A CB -0.896 18.090 19.000 -0.023 0.000 0.810 244 A HN 0.532 nan 8.150 nan 0.000 0.446 245 S N -1.263 114.435 115.700 -0.005 0.000 2.470 245 S HA 0.050 4.520 4.470 -0.000 0.000 0.225 245 S C 1.938 176.544 174.600 0.010 0.000 1.006 245 S CA 0.491 58.691 58.200 0.000 0.000 0.934 245 S CB -0.132 63.066 63.200 -0.003 0.000 0.778 245 S HN 0.558 nan 8.310 nan 0.000 0.517 246 R N 0.196 120.708 120.500 0.019 0.000 2.087 246 R HA 0.323 4.663 4.340 -0.000 0.000 0.216 246 R C 0.011 176.327 176.300 0.026 0.000 1.114 246 R CA 0.411 56.527 56.100 0.027 0.000 1.002 246 R CB -0.045 30.280 30.300 0.042 0.000 0.903 246 R HN 0.363 nan 8.270 nan 0.000 0.445 247 I N 4.027 124.614 120.570 0.029 0.000 2.325 247 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 247 I C -1.346 174.784 176.117 0.021 0.000 1.019 247 I CA -2.583 58.733 61.300 0.027 0.000 1.302 247 I CB 0.926 38.948 38.000 0.037 0.000 1.401 247 I HN -0.035 nan 8.210 nan 0.000 0.485 248 P HA -0.119 nan 4.420 nan 0.000 0.223 248 P C 0.252 177.561 177.300 0.015 0.000 1.144 248 P CA 1.100 64.209 63.100 0.014 0.000 0.783 248 P CB 0.833 32.540 31.700 0.012 0.000 0.771 249 E N -0.344 119.868 120.200 0.020 0.000 2.274 249 E HA 0.463 4.813 4.350 -0.000 0.000 0.269 249 E C -1.859 174.758 176.600 0.028 0.000 0.891 249 E CA -0.825 55.588 56.400 0.022 0.000 0.784 249 E CB 2.529 32.242 29.700 0.021 0.000 1.225 249 E HN -0.185 nan 8.360 nan 0.000 0.412 250 V N 4.254 124.185 119.914 0.029 0.000 3.120 250 V HA 0.604 4.724 4.120 -0.000 0.000 0.303 250 V C -2.299 173.816 176.094 0.036 0.000 1.238 250 V CA -0.715 61.607 62.300 0.036 0.000 1.008 250 V CB 1.945 33.789 31.823 0.036 0.000 1.064 250 V HN 0.572 nan 8.190 nan 0.000 0.434 251 L N 5.390 126.640 121.223 0.045 0.000 2.346 251 L HA 0.718 5.058 4.340 -0.000 0.000 0.276 251 L C -0.456 176.443 176.870 0.047 0.000 1.006 251 L CA -0.348 54.519 54.840 0.045 0.000 0.817 251 L CB 1.643 43.734 42.059 0.054 0.000 1.272 251 L HN 0.641 nan 8.230 nan 0.000 0.421 252 I N 2.408 123.001 120.570 0.039 0.000 2.499 252 I HA 0.598 4.768 4.170 -0.000 0.000 0.288 252 I C -0.363 175.779 176.117 0.040 0.000 1.048 252 I CA -0.741 60.581 61.300 0.037 0.000 1.062 252 I CB 2.089 40.100 38.000 0.018 0.000 1.238 252 I HN 0.654 nan 8.210 nan 0.000 0.426 253 A N 5.351 128.200 122.820 0.049 0.000 2.273 253 A HA 0.837 5.157 4.320 -0.000 0.000 0.320 253 A C -0.063 177.545 177.584 0.039 0.000 1.358 253 A CA -0.402 51.668 52.037 0.055 0.000 0.910 253 A CB 0.526 19.571 19.000 0.075 0.000 1.159 253 A HN 0.772 nan 8.150 nan 0.000 0.526 254 A N 2.049 124.889 122.820 0.034 0.000 2.312 254 A HA 0.770 5.090 4.320 -0.000 0.000 0.326 254 A C 0.283 177.884 177.584 0.029 0.000 1.172 254 A CA -0.253 51.798 52.037 0.025 0.000 0.821 254 A CB 0.944 19.952 19.000 0.013 0.000 1.166 254 A HN 1.266 nan 8.150 nan 0.000 0.493 255 S N 0.279 115.983 115.700 0.008 0.000 2.500 255 S HA 0.408 4.878 4.470 -0.000 0.000 0.301 255 S C 0.045 174.664 174.600 0.030 0.000 1.092 255 S CA -0.553 57.643 58.200 -0.007 0.000 1.030 255 S CB 0.970 64.115 63.200 -0.093 0.000 1.031 255 S HN 0.760 nan 8.310 nan 0.000 0.483 256 C N 3.100 122.429 119.300 0.049 0.000 3.038 256 C HA 0.266 4.726 4.460 -0.000 0.000 0.279 256 C C 2.425 177.445 174.990 0.051 0.000 1.276 256 C CA -0.219 58.881 59.018 0.136 0.000 1.697 256 C CB -1.435 26.316 27.740 0.018 0.000 2.032 256 C HN 0.902 nan 8.230 nan 0.000 0.636 257 S N 1.963 117.617 115.700 -0.077 0.000 2.370 257 S HA -0.196 4.274 4.470 -0.000 0.000 0.226 257 S C 1.838 176.061 174.600 -0.630 0.000 1.033 257 S CA 1.701 59.755 58.200 -0.244 0.000 1.011 257 S CB -0.029 63.109 63.200 -0.104 0.000 0.852 257 S HN 0.692 nan 8.310 nan 0.000 0.457 258 K N 1.380 121.555 120.400 -0.375 0.000 2.214 258 K HA 0.111 4.431 4.320 -0.000 0.000 0.201 258 K C 1.683 178.383 176.600 0.167 0.000 1.049 258 K CA 0.846 56.965 56.287 -0.280 0.000 0.978 258 K CB -0.172 32.142 32.500 -0.311 0.000 0.842 258 K HN 0.341 nan 8.250 nan 0.000 0.474 259 N N 0.228 119.083 118.700 0.258 0.000 2.459 259 N HA -0.105 4.634 4.740 -0.000 0.000 0.181 259 N C 0.722 176.282 175.510 0.083 0.000 1.046 259 N CA 1.098 54.271 53.050 0.205 0.000 0.904 259 N CB -0.227 38.351 38.487 0.152 0.000 0.964 259 N HN 0.125 nan 8.380 nan 0.000 0.444 260 F N -0.591 119.451 119.950 0.153 0.000 2.682 260 F HA 0.424 4.951 4.527 -0.000 0.000 0.308 260 F C 1.593 177.400 175.800 0.012 0.000 1.093 260 F CA -0.058 57.993 58.000 0.085 0.000 1.244 260 F CB 0.316 39.247 39.000 -0.115 0.000 1.052 260 F HN 0.144 nan 8.300 nan 0.000 0.573 261 G N 2.230 111.046 108.800 0.028 0.000 2.283 261 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.280 261 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.280 261 G C 0.613 175.512 174.900 -0.002 0.000 1.029 261 G CA 0.753 45.825 45.100 -0.047 0.000 0.840 261 G HN 0.627 nan 8.290 nan 0.000 0.505 262 I N -3.772 116.736 120.570 -0.104 0.000 3.736 262 I HA 0.382 4.552 4.170 -0.000 0.000 0.338 262 I C 1.714 177.859 176.117 0.047 0.000 1.558 262 I CA -1.138 60.181 61.300 0.032 0.000 1.147 262 I CB -0.421 37.586 38.000 0.012 0.000 1.275 262 I HN 0.040 nan 8.210 nan 0.000 0.454 263 Y N 2.802 123.156 120.300 0.090 0.000 2.038 263 Y HA -0.366 4.184 4.550 -0.000 0.000 0.266 263 Y C 2.850 178.779 175.900 0.047 0.000 1.220 263 Y CA 2.598 60.736 58.100 0.064 0.000 1.107 263 Y CB -0.839 37.663 38.460 0.070 0.000 0.932 263 Y HN 0.427 nan 8.280 nan 0.000 0.500 264 R N 0.402 121.047 120.500 0.242 0.000 2.280 264 R HA -0.065 4.275 4.340 -0.000 0.000 0.207 264 R C 1.234 177.584 176.300 0.083 0.000 1.043 264 R CA 1.257 57.437 56.100 0.133 0.000 1.006 264 R CB -0.341 30.025 30.300 0.110 0.000 0.885 264 R HN 0.296 nan 8.270 nan 0.000 0.467 265 E N 1.326 121.573 120.200 0.078 0.000 2.274 265 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 265 E C -0.116 176.482 176.600 -0.003 0.000 0.996 265 E CA 0.226 56.652 56.400 0.043 0.000 0.840 265 E CB 0.030 29.751 29.700 0.035 0.000 0.772 265 E HN 0.178 nan 8.360 nan 0.000 0.491 266 R N 0.433 120.936 120.500 0.005 0.000 2.983 266 R HA -0.121 4.219 4.340 -0.000 0.000 0.272 266 R C -0.215 176.051 176.300 -0.056 0.000 0.926 266 R CA 0.864 56.956 56.100 -0.014 0.000 0.667 266 R CB -3.147 27.137 30.300 -0.027 0.000 1.540 266 R HN 0.279 nan 8.270 nan 0.000 0.467 267 T N -1.408 113.112 114.554 -0.057 0.000 2.881 267 T HA 0.799 5.149 4.350 -0.000 0.000 0.290 267 T C 0.199 174.906 174.700 0.011 0.000 1.000 267 T CA 0.355 62.399 62.100 -0.092 0.000 0.978 267 T CB 2.208 70.939 68.868 -0.228 0.000 0.997 267 T HN 0.766 nan 8.240 nan 0.000 0.443 268 G N 1.253 110.111 108.800 0.097 0.000 2.488 268 G HA2 0.642 4.602 3.960 -0.000 0.000 0.301 268 G HA3 0.642 4.602 3.960 -0.000 0.000 0.301 268 G C -0.858 174.183 174.900 0.235 0.000 1.339 268 G CA -0.107 45.090 45.100 0.162 0.000 0.803 268 G HN 1.746 nan 8.290 nan 0.000 0.482 269 C N -1.438 117.955 119.300 0.155 0.000 3.285 269 C HA 0.847 5.307 4.460 -0.000 0.000 0.325 269 C C -1.330 173.706 174.990 0.077 0.000 1.304 269 C CA -1.051 58.052 59.018 0.142 0.000 1.319 269 C CB 0.800 28.612 27.740 0.120 0.000 1.640 269 C HN 1.265 nan 8.230 nan 0.000 0.477 270 L N 1.985 123.256 121.223 0.080 0.000 2.313 270 L HA 0.806 5.146 4.340 -0.000 0.000 0.283 270 L C -0.856 176.038 176.870 0.040 0.000 1.013 270 L CA -0.576 54.301 54.840 0.062 0.000 0.816 270 L CB 1.047 43.152 42.059 0.077 0.000 1.236 270 L HN 0.817 nan 8.230 nan 0.000 0.419 271 L N 5.357 126.595 121.223 0.025 0.000 2.307 271 L HA 0.798 5.138 4.340 -0.000 0.000 0.284 271 L C -0.085 176.798 176.870 0.021 0.000 1.023 271 L CA -0.642 54.206 54.840 0.012 0.000 0.810 271 L CB 1.761 43.816 42.059 -0.006 0.000 1.231 271 L HN 0.790 nan 8.230 nan 0.000 0.423 272 A N 5.404 128.237 122.820 0.020 0.000 2.328 272 A HA 0.597 4.917 4.320 -0.000 0.000 0.318 272 A C -0.530 177.063 177.584 0.016 0.000 1.347 272 A CA -0.499 51.552 52.037 0.023 0.000 0.842 272 A CB 0.305 19.321 19.000 0.027 0.000 1.148 272 A HN 0.622 nan 8.150 nan 0.000 0.499 273 L N 2.429 123.661 121.223 0.015 0.000 2.278 273 L HA 0.293 4.633 4.340 -0.000 0.000 0.287 273 L C -0.351 176.527 176.870 0.013 0.000 1.072 273 L CA -0.297 54.549 54.840 0.010 0.000 0.819 273 L CB 0.357 42.421 42.059 0.008 0.000 1.176 273 L HN 0.633 nan 8.230 nan 0.000 0.435 274 C N 1.638 120.944 119.300 0.010 0.000 2.399 274 C HA 0.531 4.991 4.460 -0.000 0.000 0.348 274 C C 1.636 176.631 174.990 0.008 0.000 1.183 274 C CA -0.540 58.484 59.018 0.010 0.000 2.023 274 C CB 1.507 29.253 27.740 0.009 0.000 2.361 274 C HN 0.945 nan 8.230 nan 0.000 0.521 275 A N 0.692 123.517 122.820 0.009 0.000 2.119 275 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 275 A C 0.596 178.184 177.584 0.005 0.000 1.153 275 A CA 1.477 53.518 52.037 0.007 0.000 0.692 275 A CB -0.301 18.704 19.000 0.008 0.000 0.799 275 A HN 0.995 nan 8.150 nan 0.000 0.458 276 D N -4.446 115.957 120.400 0.005 0.000 2.622 276 D HA 0.413 5.053 4.640 -0.000 0.000 0.255 276 D C 0.601 176.903 176.300 0.004 0.000 1.246 276 D CA 0.015 54.017 54.000 0.004 0.000 0.795 276 D CB 1.096 41.898 40.800 0.003 0.000 1.369 276 D HN -0.007 nan 8.370 nan 0.000 0.425 277 A N 0.806 123.628 122.820 0.003 0.000 1.908 277 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 277 A C 2.207 179.793 177.584 0.003 0.000 1.181 277 A CA 2.950 54.989 52.037 0.003 0.000 0.627 277 A CB -1.079 17.922 19.000 0.003 0.000 0.818 277 A HN 0.760 nan 8.150 nan 0.000 0.445 278 A N -0.943 121.877 122.820 0.002 0.000 1.865 278 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 278 A C 2.317 179.901 177.584 -0.001 0.000 1.191 278 A CA 2.397 54.434 52.037 -0.000 0.000 0.623 278 A CB -1.406 17.593 19.000 -0.001 0.000 0.826 278 A HN 0.451 nan 8.150 nan 0.000 0.444 279 T N -0.528 114.026 114.554 0.001 0.000 2.833 279 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 279 T C 2.079 176.781 174.700 0.003 0.000 1.054 279 T CA 1.247 63.347 62.100 0.001 0.000 1.135 279 T CB -0.268 68.602 68.868 0.003 0.000 0.869 279 T HN 0.433 nan 8.240 nan 0.000 0.466 280 R N 1.304 121.807 120.500 0.005 0.000 2.073 280 R HA -0.110 4.229 4.340 -0.000 0.000 0.234 280 R C 2.082 178.387 176.300 0.008 0.000 1.134 280 R CA 1.428 57.533 56.100 0.008 0.000 0.952 280 R CB -0.349 29.955 30.300 0.007 0.000 0.850 280 R HN 0.345 nan 8.270 nan 0.000 0.433 281 E N 0.867 121.070 120.200 0.005 0.000 2.085 281 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 281 E C 2.188 178.789 176.600 0.002 0.000 0.994 281 E CA 0.926 57.329 56.400 0.005 0.000 0.801 281 E CB -0.277 29.425 29.700 0.002 0.000 0.743 281 E HN 0.377 nan 8.360 nan 0.000 0.453 282 L N 0.297 121.518 121.223 -0.003 0.000 1.994 282 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 282 L C 2.563 179.429 176.870 -0.006 0.000 1.071 282 L CA 1.217 56.050 54.840 -0.012 0.000 0.745 282 L CB -0.500 41.550 42.059 -0.015 0.000 0.892 282 L HN 0.076 nan 8.230 nan 0.000 0.431 283 A N -0.569 122.253 122.820 0.003 0.000 1.883 283 A HA -0.316 4.004 4.320 -0.000 0.000 0.217 283 A C 2.156 179.754 177.584 0.023 0.000 1.186 283 A CA 2.055 54.100 52.037 0.013 0.000 0.624 283 A CB -0.650 18.360 19.000 0.017 0.000 0.822 283 A HN 0.423 nan 8.150 nan 0.000 0.444 284 Q N -0.163 119.651 119.800 0.022 0.000 2.135 284 Q HA -0.051 4.289 4.340 -0.000 0.000 0.204 284 Q C 1.926 177.947 176.000 0.036 0.000 0.981 284 Q CA 2.158 57.979 55.803 0.031 0.000 0.856 284 Q CB -0.948 27.806 28.738 0.027 0.000 0.902 284 Q HN 0.530 nan 8.270 nan 0.000 0.425 285 G N -0.271 108.544 108.800 0.024 0.000 2.404 285 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 285 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 285 G C 1.468 176.396 174.900 0.047 0.000 1.174 285 G CA 0.896 46.011 45.100 0.026 0.000 0.780 285 G HN 0.520 nan 8.290 nan 0.000 0.537 286 A N 0.334 123.168 122.820 0.023 0.000 1.972 286 A HA 0.074 4.394 4.320 -0.000 0.000 0.219 286 A C 2.447 180.104 177.584 0.123 0.000 1.169 286 A CA 1.729 53.790 52.037 0.040 0.000 0.635 286 A CB -0.317 18.682 19.000 -0.002 0.000 0.810 286 A HN 0.401 nan 8.150 nan 0.000 0.446 287 M N -0.706 118.944 119.600 0.084 0.000 2.099 287 M HA -0.096 4.383 4.480 -0.000 0.000 0.262 287 M C 2.561 178.902 176.300 0.069 0.000 1.067 287 M CA 1.425 56.771 55.300 0.077 0.000 1.124 287 M CB -0.353 32.284 32.600 0.062 0.000 1.353 287 M HN 0.454 nan 8.290 nan 0.000 0.410 288 A N -0.007 122.855 122.820 0.068 0.000 1.902 288 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 288 A C 2.023 179.616 177.584 0.015 0.000 1.181 288 A CA 1.457 53.514 52.037 0.034 0.000 0.623 288 A CB -1.094 17.928 19.000 0.037 0.000 0.818 288 A HN 0.556 nan 8.150 nan 0.000 0.443 289 F N 0.108 120.014 119.950 -0.074 0.000 2.161 289 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 289 F C 1.752 177.486 175.800 -0.110 0.000 1.089 289 F CA 1.366 59.313 58.000 -0.088 0.000 1.282 289 F CB -0.095 38.869 39.000 -0.061 0.000 1.010 289 F HN 0.138 nan 8.300 nan 0.000 0.485 290 L N 0.755 121.999 121.223 0.035 0.000 2.083 290 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 290 L C 2.088 178.784 176.870 -0.289 0.000 1.083 290 L CA 1.468 56.253 54.840 -0.092 0.000 0.752 290 L CB -1.703 40.373 42.059 0.028 0.000 0.899 290 L HN 0.180 nan 8.230 nan 0.000 0.433 291 N N -0.666 117.865 118.700 -0.281 0.000 2.171 291 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 291 N C 1.975 177.153 175.510 -0.554 0.000 1.021 291 N CA 0.766 53.532 53.050 -0.474 0.000 0.854 291 N CB -0.155 38.223 38.487 -0.182 0.000 0.994 291 N HN 0.206 nan 8.380 nan 0.000 0.426 292 R N 0.639 120.884 120.500 -0.424 0.000 2.096 292 R HA -0.097 4.243 4.340 -0.000 0.000 0.240 292 R C 1.147 177.180 176.300 -0.445 0.000 1.139 292 R CA 1.333 57.173 56.100 -0.433 0.000 0.952 292 R CB 0.069 30.130 30.300 -0.399 0.000 0.854 292 R HN 0.239 nan 8.270 nan 0.000 0.436 293 Q N -0.840 118.634 119.800 -0.544 0.000 2.472 293 Q HA -0.006 4.334 4.340 -0.000 0.000 0.208 293 Q C 1.311 177.113 176.000 -0.330 0.000 0.958 293 Q CA 1.064 56.590 55.803 -0.461 0.000 0.932 293 Q CB 0.647 29.028 28.738 -0.595 0.000 1.007 293 Q HN 0.390 nan 8.270 nan 0.000 0.508 294 T N -0.738 113.566 114.554 -0.417 0.000 3.056 294 T HA 0.030 4.380 4.350 -0.000 0.000 0.241 294 T C 0.478 175.038 174.700 -0.234 0.000 1.006 294 T CA 0.754 62.637 62.100 -0.362 0.000 1.115 294 T CB 0.162 68.722 68.868 -0.513 0.000 0.939 294 T HN 0.436 nan 8.240 nan 0.000 0.462 295 Y N -1.173 119.086 120.300 -0.068 0.000 3.088 295 Y HA 0.648 5.198 4.550 -0.000 0.000 0.293 295 Y C 0.622 176.492 175.900 -0.051 0.000 1.016 295 Y CA -0.525 57.553 58.100 -0.035 0.000 1.285 295 Y CB -0.419 38.042 38.460 0.001 0.000 1.373 295 Y HN 0.064 nan 8.280 nan 0.000 0.589 296 S N 0.241 115.877 115.700 -0.106 0.000 4.141 296 S HA -0.281 4.189 4.470 -0.000 0.000 0.622 296 S C -0.053 174.500 174.600 -0.079 0.000 1.894 296 S CA 1.263 59.337 58.200 -0.210 0.000 4.238 296 S CB -1.604 61.488 63.200 -0.180 0.000 0.205 296 S HN 0.439 nan 8.310 nan 0.000 0.486 297 F N 5.172 125.199 119.950 0.128 0.000 2.459 297 F HA 0.451 4.978 4.527 -0.000 0.000 0.346 297 F C -1.314 174.624 175.800 0.229 0.000 1.128 297 F CA -0.881 57.215 58.000 0.161 0.000 1.268 297 F CB 0.169 39.242 39.000 0.122 0.000 1.161 297 F HN 0.281 nan 8.300 nan 0.000 0.583 298 P HA 0.202 nan 4.420 nan 0.000 0.284 298 P C -2.646 174.706 177.300 0.087 0.000 1.258 298 P CA -1.750 61.442 63.100 0.154 0.000 0.824 298 P CB 0.494 32.301 31.700 0.178 0.000 1.038 299 P HA 0.006 nan 4.420 nan 0.000 0.265 299 P C 0.138 177.443 177.300 0.010 0.000 1.193 299 P CA 0.114 63.212 63.100 -0.004 0.000 0.765 299 P CB 0.524 32.183 31.700 -0.069 0.000 0.823 300 F N 2.709 122.608 119.950 -0.084 0.000 2.317 300 F HA -0.038 4.489 4.527 -0.000 0.000 0.290 300 F C 2.564 178.287 175.800 -0.130 0.000 1.075 300 F CA 0.944 58.875 58.000 -0.116 0.000 1.380 300 F CB -0.502 38.454 39.000 -0.074 0.000 1.093 300 F HN 0.366 nan 8.300 nan 0.000 0.524 301 H N 0.018 119.053 119.070 -0.059 0.000 2.265 301 H HA -0.157 4.399 4.556 -0.000 0.000 0.293 301 H C 2.447 177.586 175.328 -0.315 0.000 1.089 301 H CA 2.394 58.348 56.048 -0.157 0.000 1.244 301 H CB -0.923 28.816 29.762 -0.038 0.000 1.355 301 H HN 0.352 nan 8.280 nan 0.000 0.485 302 G N -0.636 107.996 108.800 -0.280 0.000 2.408 302 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 302 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 302 G C 1.896 176.469 174.900 -0.546 0.000 1.150 302 G CA 0.906 45.790 45.100 -0.359 0.000 0.776 302 G HN 0.632 nan 8.290 nan 0.000 0.542 303 A N 0.770 123.155 122.820 -0.724 0.000 1.902 303 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 303 A C 2.217 179.329 177.584 -0.786 0.000 1.181 303 A CA 2.336 53.694 52.037 -1.132 0.000 0.623 303 A CB -0.352 17.770 19.000 -1.463 0.000 0.818 303 A HN 0.335 nan 8.150 nan 0.000 0.443 304 K N 0.291 120.160 120.400 -0.884 0.000 2.097 304 K HA 0.023 4.343 4.320 -0.000 0.000 0.205 304 K C 1.572 177.864 176.600 -0.512 0.000 1.050 304 K CA 1.366 57.185 56.287 -0.779 0.000 0.938 304 K CB -0.531 31.279 32.500 -1.151 0.000 0.718 304 K HN 0.536 nan 8.250 nan 0.000 0.442 305 I N -0.240 120.004 120.570 -0.544 0.000 2.179 305 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 305 I C 1.973 177.845 176.117 -0.408 0.000 1.088 305 I CA 0.960 62.005 61.300 -0.425 0.000 1.357 305 I CB -0.265 37.490 38.000 -0.409 0.000 1.051 305 I HN -0.075 nan 8.210 nan 0.000 0.409 306 V N 1.045 120.645 119.914 -0.523 0.000 2.295 306 V HA -0.285 3.834 4.120 -0.000 0.000 0.246 306 V C 2.674 178.521 176.094 -0.411 0.000 1.049 306 V CA 2.349 64.219 62.300 -0.717 0.000 1.024 306 V CB -0.912 30.477 31.823 -0.724 0.000 0.648 306 V HN 0.604 nan 8.190 nan 0.000 0.447 307 S N -0.607 114.965 115.700 -0.213 0.000 2.402 307 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 307 S C 1.912 176.429 174.600 -0.137 0.000 1.021 307 S CA 1.823 59.947 58.200 -0.127 0.000 0.974 307 S CB -0.784 62.392 63.200 -0.040 0.000 0.800 307 S HN 0.575 nan 8.310 nan 0.000 0.484 308 T N 2.338 116.791 114.554 -0.168 0.000 2.746 308 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 308 T C 1.908 176.549 174.700 -0.099 0.000 1.039 308 T CA 1.446 63.473 62.100 -0.123 0.000 1.142 308 T CB -0.569 68.217 68.868 -0.137 0.000 0.866 308 T HN 0.298 nan 8.240 nan 0.000 0.444 309 V N 1.399 121.234 119.914 -0.133 0.000 2.261 309 V HA -0.094 4.026 4.120 -0.000 0.000 0.246 309 V C 2.473 178.533 176.094 -0.057 0.000 1.047 309 V CA 1.214 63.464 62.300 -0.082 0.000 1.015 309 V CB -0.613 31.148 31.823 -0.104 0.000 0.642 309 V HN 0.307 nan 8.190 nan 0.000 0.446 310 L N 0.935 122.093 121.223 -0.108 0.000 2.083 310 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 310 L C 2.594 179.452 176.870 -0.020 0.000 1.083 310 L CA 2.674 57.480 54.840 -0.058 0.000 0.752 310 L CB -1.475 40.524 42.059 -0.100 0.000 0.899 310 L HN 0.669 nan 8.230 nan 0.000 0.433 311 T N -6.016 108.516 114.554 -0.036 0.000 3.107 311 T HA 0.052 4.402 4.350 -0.000 0.000 0.249 311 T C 0.739 175.436 174.700 -0.006 0.000 1.096 311 T CA 0.056 62.145 62.100 -0.018 0.000 1.012 311 T CB -0.392 68.460 68.868 -0.025 0.000 0.977 311 T HN 0.131 nan 8.240 nan 0.000 0.527 312 T N 3.787 118.340 114.554 -0.002 0.000 2.929 312 T HA 0.350 4.700 4.350 -0.000 0.000 0.331 312 T C -1.932 172.783 174.700 0.025 0.000 1.120 312 T CA -1.250 60.854 62.100 0.007 0.000 0.973 312 T CB 1.501 70.369 68.868 0.001 0.000 1.036 312 T HN -0.050 nan 8.240 nan 0.000 0.502 313 P HA -0.278 nan 4.420 nan 0.000 0.222 313 P C 1.510 178.835 177.300 0.042 0.000 1.159 313 P CA 1.259 64.380 63.100 0.034 0.000 0.920 313 P CB 0.329 32.043 31.700 0.023 0.000 0.793 314 E N -1.099 119.122 120.200 0.035 0.000 2.077 314 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 314 E C 1.782 178.415 176.600 0.055 0.000 0.989 314 E CA 1.083 57.505 56.400 0.038 0.000 0.800 314 E CB -0.448 29.270 29.700 0.029 0.000 0.746 314 E HN 0.010 nan 8.360 nan 0.000 0.452 315 L N 1.160 122.418 121.223 0.058 0.000 2.072 315 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 315 L C 2.586 179.539 176.870 0.140 0.000 1.079 315 L CA 1.471 56.360 54.840 0.081 0.000 0.752 315 L CB -0.806 41.283 42.059 0.050 0.000 0.906 315 L HN 0.117 nan 8.230 nan 0.000 0.436 316 R N -0.469 120.113 120.500 0.137 0.000 2.081 316 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 316 R C 2.136 178.575 176.300 0.231 0.000 1.131 316 R CA 1.401 57.641 56.100 0.233 0.000 0.960 316 R CB -0.140 30.264 30.300 0.174 0.000 0.856 316 R HN 0.349 nan 8.270 nan 0.000 0.436 317 A N 0.759 123.652 122.820 0.122 0.000 1.902 317 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 317 A C 1.787 179.398 177.584 0.045 0.000 1.181 317 A CA 1.926 54.000 52.037 0.062 0.000 0.623 317 A CB -0.578 18.444 19.000 0.036 0.000 0.818 317 A HN 0.478 nan 8.150 nan 0.000 0.443 318 D N -1.972 118.474 120.400 0.077 0.000 2.183 318 D HA -0.156 4.484 4.640 -0.000 0.000 0.203 318 D C 1.586 177.929 176.300 0.073 0.000 0.969 318 D CA 1.242 55.277 54.000 0.058 0.000 0.842 318 D CB -0.289 40.554 40.800 0.071 0.000 0.957 318 D HN 0.593 nan 8.370 nan 0.000 0.484 319 W N 0.982 122.246 121.300 -0.059 0.000 2.355 319 W HA -0.139 4.521 4.660 -0.000 0.000 0.309 319 W C 2.101 178.518 176.519 -0.171 0.000 1.206 319 W CA 1.651 58.928 57.345 -0.113 0.000 1.284 319 W CB -0.528 28.868 29.460 -0.107 0.000 1.145 319 W HN -0.064 nan 8.180 nan 0.000 0.502 320 M N 0.597 119.980 119.600 -0.362 0.000 2.108 320 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 320 M C 2.348 178.386 176.300 -0.437 0.000 1.066 320 M CA 2.188 57.129 55.300 -0.598 0.000 1.107 320 M CB -1.203 31.216 32.600 -0.302 0.000 1.356 320 M HN 0.160 nan 8.290 nan 0.000 0.406 321 A N 0.111 122.783 122.820 -0.247 0.000 1.877 321 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 321 A C 2.017 179.472 177.584 -0.214 0.000 1.186 321 A CA 2.077 54.002 52.037 -0.187 0.000 0.620 321 A CB -0.810 18.129 19.000 -0.102 0.000 0.822 321 A HN 0.576 nan 8.150 nan 0.000 0.443 322 E N -0.823 119.249 120.200 -0.213 0.000 2.072 322 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 322 E C 1.892 178.292 176.600 -0.332 0.000 0.985 322 E CA 1.139 57.419 56.400 -0.200 0.000 0.801 322 E CB -0.164 29.471 29.700 -0.109 0.000 0.750 322 E HN 0.423 nan 8.360 nan 0.000 0.452 323 L N 1.469 122.378 121.223 -0.523 0.000 2.083 323 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 323 L C 2.207 178.737 176.870 -0.567 0.000 1.083 323 L CA 2.118 56.547 54.840 -0.685 0.000 0.752 323 L CB -0.470 40.970 42.059 -1.033 0.000 0.899 323 L HN 0.134 nan 8.230 nan 0.000 0.433 324 E N -0.169 119.761 120.200 -0.450 0.000 2.106 324 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 324 E C 2.050 178.502 176.600 -0.247 0.000 0.984 324 E CA 1.408 57.614 56.400 -0.324 0.000 0.806 324 E CB -0.326 29.218 29.700 -0.260 0.000 0.750 324 E HN 0.488 nan 8.360 nan 0.000 0.458 325 A N 0.245 122.928 122.820 -0.228 0.000 1.902 325 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 325 A C 2.501 179.986 177.584 -0.165 0.000 1.181 325 A CA 1.589 53.532 52.037 -0.157 0.000 0.623 325 A CB -0.790 18.136 19.000 -0.124 0.000 0.818 325 A HN 0.200 nan 8.150 nan 0.000 0.443 326 V N 0.150 119.900 119.914 -0.272 0.000 2.261 326 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 326 V C 2.658 178.620 176.094 -0.221 0.000 1.047 326 V CA 2.341 64.433 62.300 -0.347 0.000 1.015 326 V CB -0.818 30.600 31.823 -0.675 0.000 0.642 326 V HN 0.697 nan 8.190 nan 0.000 0.446 327 R N 0.260 120.592 120.500 -0.281 0.000 2.094 327 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 327 R C 2.450 178.703 176.300 -0.079 0.000 1.137 327 R CA 2.306 58.302 56.100 -0.174 0.000 0.943 327 R CB -0.455 29.699 30.300 -0.243 0.000 0.850 327 R HN 0.533 nan 8.270 nan 0.000 0.433 328 S N -0.269 115.374 115.700 -0.095 0.000 2.382 328 S HA -0.095 4.375 4.470 -0.000 0.000 0.228 328 S C 1.874 176.461 174.600 -0.022 0.000 1.027 328 S CA 1.119 59.286 58.200 -0.055 0.000 0.991 328 S CB -0.455 62.706 63.200 -0.065 0.000 0.823 328 S HN 0.688 nan 8.310 nan 0.000 0.469 329 G N 1.878 110.670 108.800 -0.013 0.000 2.433 329 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 329 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 329 G C 1.393 176.324 174.900 0.050 0.000 1.186 329 G CA 0.879 45.996 45.100 0.028 0.000 0.779 329 G HN 0.399 nan 8.290 nan 0.000 0.543 330 M N -0.137 119.508 119.600 0.075 0.000 2.149 330 M HA 0.042 4.522 4.480 -0.000 0.000 0.261 330 M C 2.594 178.921 176.300 0.046 0.000 1.064 330 M CA 0.960 56.311 55.300 0.084 0.000 1.102 330 M CB -0.430 32.245 32.600 0.124 0.000 1.369 330 M HN 0.187 nan 8.290 nan 0.000 0.408 331 L N 0.004 121.246 121.223 0.031 0.000 2.083 331 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 331 L C 2.817 179.694 176.870 0.011 0.000 1.083 331 L CA 1.310 56.162 54.840 0.020 0.000 0.752 331 L CB -0.335 41.729 42.059 0.010 0.000 0.899 331 L HN 0.284 nan 8.230 nan 0.000 0.433 332 R N -0.126 120.380 120.500 0.009 0.000 2.075 332 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 332 R C 2.266 178.566 176.300 0.000 0.000 1.126 332 R CA 1.267 57.368 56.100 0.002 0.000 0.963 332 R CB -0.230 30.072 30.300 0.003 0.000 0.858 332 R HN 0.377 nan 8.270 nan 0.000 0.435 333 L N 0.467 121.695 121.223 0.008 0.000 2.046 333 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 333 L C 2.744 179.606 176.870 -0.013 0.000 1.077 333 L CA 1.493 56.333 54.840 -0.000 0.000 0.747 333 L CB -0.371 41.694 42.059 0.011 0.000 0.896 333 L HN 0.249 nan 8.230 nan 0.000 0.432 334 R N 0.078 120.574 120.500 -0.007 0.000 2.080 334 R HA -0.192 4.148 4.340 -0.000 0.000 0.236 334 R C 2.092 178.370 176.300 -0.037 0.000 1.137 334 R CA 1.610 57.698 56.100 -0.019 0.000 0.943 334 R CB -0.497 29.805 30.300 0.003 0.000 0.846 334 R HN 0.449 nan 8.270 nan 0.000 0.431 335 E N 0.829 121.014 120.200 -0.025 0.000 2.160 335 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 335 E C 2.181 178.760 176.600 -0.034 0.000 0.991 335 E CA 1.160 57.543 56.400 -0.029 0.000 0.810 335 E CB -0.001 29.689 29.700 -0.017 0.000 0.742 335 E HN 0.442 nan 8.360 nan 0.000 0.466 336 Q N 0.257 120.038 119.800 -0.031 0.000 2.049 336 Q HA -0.097 4.243 4.340 -0.000 0.000 0.198 336 Q C 2.371 178.341 176.000 -0.049 0.000 0.971 336 Q CA 0.688 56.471 55.803 -0.034 0.000 0.833 336 Q CB -0.123 28.599 28.738 -0.027 0.000 0.896 336 Q HN 0.273 nan 8.270 nan 0.000 0.434 337 L N 0.747 121.932 121.223 -0.062 0.000 2.083 337 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 337 L C 2.137 178.942 176.870 -0.109 0.000 1.083 337 L CA 1.911 56.696 54.840 -0.092 0.000 0.752 337 L CB -0.925 41.071 42.059 -0.104 0.000 0.899 337 L HN 0.175 nan 8.230 nan 0.000 0.433 338 A N -0.120 122.639 122.820 -0.102 0.000 1.877 338 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 338 A C 2.362 179.912 177.584 -0.057 0.000 1.186 338 A CA 1.563 53.539 52.037 -0.101 0.000 0.620 338 A CB -1.262 17.678 19.000 -0.099 0.000 0.822 338 A HN 0.500 nan 8.150 nan 0.000 0.443 339 G N -0.554 108.218 108.800 -0.046 0.000 2.421 339 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 339 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 339 G C 1.443 176.327 174.900 -0.027 0.000 1.171 339 G CA 1.318 46.400 45.100 -0.030 0.000 0.775 339 G HN 0.556 nan 8.290 nan 0.000 0.543 340 E N 0.396 120.573 120.200 -0.038 0.000 2.070 340 E HA -0.097 4.253 4.350 -0.000 0.000 0.197 340 E C 2.514 179.096 176.600 -0.031 0.000 1.004 340 E CA 0.943 57.321 56.400 -0.038 0.000 0.805 340 E CB -0.462 29.205 29.700 -0.055 0.000 0.744 340 E HN 0.428 nan 8.360 nan 0.000 0.451 341 L N 0.030 121.230 121.223 -0.039 0.000 2.046 341 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 341 L C 2.834 179.739 176.870 0.059 0.000 1.077 341 L CA 1.563 56.406 54.840 0.005 0.000 0.747 341 L CB -0.437 41.615 42.059 -0.012 0.000 0.896 341 L HN 0.182 nan 8.230 nan 0.000 0.432 342 R N 0.253 120.775 120.500 0.037 0.000 2.103 342 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 342 R C 1.769 178.081 176.300 0.019 0.000 1.142 342 R CA 2.193 58.310 56.100 0.029 0.000 0.960 342 R CB -0.188 30.115 30.300 0.007 0.000 0.858 342 R HN 0.355 nan 8.270 nan 0.000 0.439 343 D N 0.478 120.884 120.400 0.008 0.000 2.117 343 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 343 D C 1.952 178.257 176.300 0.009 0.000 0.982 343 D CA 1.048 55.050 54.000 0.004 0.000 0.828 343 D CB -0.172 40.625 40.800 -0.004 0.000 0.967 343 D HN 0.289 nan 8.370 nan 0.000 0.464 344 L N 0.625 121.856 121.223 0.013 0.000 2.291 344 L HA -0.052 4.288 4.340 -0.000 0.000 0.214 344 L C 2.004 178.895 176.870 0.036 0.000 1.120 344 L CA 1.030 55.880 54.840 0.017 0.000 0.799 344 L CB -0.146 41.916 42.059 0.005 0.000 0.925 344 L HN 0.083 nan 8.230 nan 0.000 0.446 345 S N -1.854 113.878 115.700 0.054 0.000 2.512 345 S HA 0.168 4.638 4.470 -0.000 0.000 0.216 345 S C 1.479 176.094 174.600 0.026 0.000 1.006 345 S CA 0.336 58.571 58.200 0.058 0.000 0.915 345 S CB 0.729 63.993 63.200 0.106 0.000 0.824 345 S HN 0.395 nan 8.310 nan 0.000 0.497 346 G N 1.572 110.384 108.800 0.020 0.000 2.283 346 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.280 346 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.280 346 G C 0.134 175.033 174.900 -0.001 0.000 1.029 346 G CA 0.638 45.742 45.100 0.007 0.000 0.840 346 G HN 1.550 nan 8.290 nan 0.000 0.505 347 S N -2.312 113.387 115.700 -0.001 0.000 2.776 347 S HA 0.732 5.202 4.470 -0.000 0.000 0.292 347 S C -0.544 174.046 174.600 -0.018 0.000 1.187 347 S CA -0.303 57.886 58.200 -0.020 0.000 0.834 347 S CB 2.118 65.291 63.200 -0.045 0.000 1.199 347 S HN -0.040 nan 8.310 nan 0.000 0.514 348 D N -0.366 120.013 120.400 -0.035 0.000 2.650 348 D HA 0.296 4.936 4.640 -0.000 0.000 0.265 348 D C 1.046 177.317 176.300 -0.049 0.000 1.339 348 D CA -0.090 53.893 54.000 -0.028 0.000 0.816 348 D CB 0.397 41.186 40.800 -0.019 0.000 1.091 348 D HN 0.384 nan 8.370 nan 0.000 0.483 349 R N -0.065 120.364 120.500 -0.118 0.000 2.083 349 R HA -0.070 4.269 4.340 -0.000 0.000 0.237 349 R C 1.139 177.367 176.300 -0.120 0.000 1.137 349 R CA 1.064 57.057 56.100 -0.180 0.000 0.951 349 R CB -0.121 29.940 30.300 -0.398 0.000 0.851 349 R HN 0.051 nan 8.270 nan 0.000 0.434 350 F N 0.564 120.484 119.950 -0.050 0.000 2.772 350 F HA 0.103 4.630 4.527 -0.000 0.000 0.302 350 F C 2.004 177.474 175.800 -0.550 0.000 1.225 350 F CA 0.136 57.912 58.000 -0.374 0.000 1.429 350 F CB -0.690 38.127 39.000 -0.306 0.000 1.104 350 F HN 0.118 nan 8.300 nan 0.000 0.550 351 G N 0.806 109.533 108.800 -0.121 0.000 2.442 351 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.219 351 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.219 351 G C 1.645 176.441 174.900 -0.173 0.000 1.141 351 G CA 0.956 45.991 45.100 -0.109 0.000 0.763 351 G HN 0.487 nan 8.290 nan 0.000 0.554 352 F N 1.318 121.240 119.950 -0.047 0.000 2.214 352 F HA -0.144 4.383 4.527 -0.000 0.000 0.302 352 F C 2.132 177.736 175.800 -0.327 0.000 1.063 352 F CA 0.944 58.836 58.000 -0.180 0.000 1.319 352 F CB -1.036 37.844 39.000 -0.200 0.000 1.046 352 F HN 0.022 nan 8.300 nan 0.000 0.505 353 V N 0.965 120.453 119.914 -0.710 0.000 2.490 353 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 353 V C 2.784 178.795 176.094 -0.138 0.000 1.061 353 V CA 1.703 63.765 62.300 -0.398 0.000 1.064 353 V CB -1.431 30.132 31.823 -0.434 0.000 0.670 353 V HN 0.610 nan 8.190 nan 0.000 0.461 354 A N -0.651 122.096 122.820 -0.121 0.000 2.132 354 A HA 0.005 4.325 4.320 -0.000 0.000 0.213 354 A C 2.038 179.633 177.584 0.018 0.000 1.154 354 A CA 0.800 52.815 52.037 -0.037 0.000 0.753 354 A CB -0.166 18.809 19.000 -0.041 0.000 0.826 354 A HN 0.489 nan 8.150 nan 0.000 0.469 355 E N -0.260 119.957 120.200 0.028 0.000 2.190 355 E HA 0.085 4.435 4.350 -0.000 0.000 0.191 355 E C 0.265 176.993 176.600 0.213 0.000 0.978 355 E CA 0.256 56.715 56.400 0.098 0.000 0.839 355 E CB -0.256 29.504 29.700 0.101 0.000 0.787 355 E HN 0.774 nan 8.360 nan 0.000 0.473 356 H N -0.003 119.165 119.070 0.164 0.000 2.852 356 H HA 0.241 4.797 4.556 -0.000 0.000 0.362 356 H C 0.053 175.453 175.328 0.121 0.000 1.122 356 H CA -0.152 56.000 56.048 0.174 0.000 1.419 356 H CB 0.648 30.547 29.762 0.228 0.000 1.401 356 H HN -0.207 nan 8.280 nan 0.000 0.609 357 R N 0.528 121.168 120.500 0.233 0.000 2.628 357 R HA 0.467 4.807 4.340 -0.000 0.000 0.288 357 R C -0.567 175.791 176.300 0.096 0.000 0.980 357 R CA 0.370 56.558 56.100 0.147 0.000 0.891 357 R CB 1.768 32.151 30.300 0.137 0.000 1.188 357 R HN 0.971 nan 8.270 nan 0.000 0.450 358 G N 1.977 110.806 108.800 0.048 0.000 2.280 358 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.277 358 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.277 358 G C -0.162 174.623 174.900 -0.191 0.000 1.288 358 G CA -0.085 44.970 45.100 -0.076 0.000 1.075 358 G HN 0.573 nan 8.290 nan 0.000 0.480 359 M N -0.611 118.658 119.600 -0.550 0.000 2.486 359 M HA 0.487 4.967 4.480 -0.000 0.000 0.264 359 M C 0.198 176.088 176.300 -0.683 0.000 1.125 359 M CA 0.893 55.755 55.300 -0.729 0.000 1.144 359 M CB 0.115 31.950 32.600 -1.274 0.000 1.353 359 M HN 0.323 nan 8.290 nan 0.000 0.466 360 F N -1.336 118.538 119.950 -0.127 0.000 2.509 360 F HA 0.666 5.193 4.527 -0.000 0.000 0.334 360 F C 0.060 175.876 175.800 0.027 0.000 1.060 360 F CA -1.176 56.795 58.000 -0.050 0.000 0.997 360 F CB 1.387 40.339 39.000 -0.079 0.000 1.271 360 F HN -0.277 nan 8.300 nan 0.000 0.488 361 S N 0.399 116.281 115.700 0.303 0.000 2.582 361 S HA 0.373 4.843 4.470 -0.000 0.000 0.287 361 S C -1.297 173.481 174.600 0.297 0.000 1.146 361 S CA -0.845 57.572 58.200 0.361 0.000 0.941 361 S CB 0.776 64.230 63.200 0.424 0.000 1.115 361 S HN 0.559 nan 8.310 nan 0.000 0.458 362 R N 4.140 124.786 120.500 0.244 0.000 2.308 362 R HA 0.398 4.738 4.340 -0.000 0.000 0.305 362 R C 0.793 177.293 176.300 0.333 0.000 1.053 362 R CA -0.391 55.804 56.100 0.159 0.000 0.957 362 R CB 0.826 31.077 30.300 -0.082 0.000 1.022 362 R HN 0.631 nan 8.270 nan 0.000 0.461 363 L N 0.642 122.039 121.223 0.290 0.000 2.056 363 L HA 0.076 4.416 4.340 -0.000 0.000 0.202 363 L C 1.573 178.656 176.870 0.355 0.000 1.086 363 L CA 1.661 56.741 54.840 0.401 0.000 0.758 363 L CB -0.149 42.050 42.059 0.233 0.000 0.912 363 L HN 0.975 nan 8.230 nan 0.000 0.446 364 G N -1.679 107.264 108.800 0.238 0.000 3.302 364 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 364 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 364 G C 0.394 175.388 174.900 0.158 0.000 1.008 364 G CA -0.168 45.048 45.100 0.193 0.000 0.852 364 G HN 0.449 nan 8.290 nan 0.000 0.485 365 A N 1.957 124.876 122.820 0.164 0.000 2.591 365 A HA 0.460 4.780 4.320 -0.000 0.000 0.244 365 A C 1.233 178.876 177.584 0.098 0.000 1.031 365 A CA 1.590 53.703 52.037 0.126 0.000 0.767 365 A CB -0.389 18.675 19.000 0.108 0.000 0.942 365 A HN 1.829 nan 8.150 nan 0.000 0.514 366 T N 1.644 116.249 114.554 0.086 0.000 2.813 366 T HA 0.368 4.718 4.350 -0.000 0.000 0.297 366 T C -1.113 173.626 174.700 0.065 0.000 1.036 366 T CA -0.732 61.410 62.100 0.070 0.000 1.044 366 T CB 0.534 69.439 68.868 0.061 0.000 0.993 366 T HN 0.505 nan 8.240 nan 0.000 0.535 367 P HA -0.239 nan 4.420 nan 0.000 0.217 367 P C 1.220 178.553 177.300 0.055 0.000 1.151 367 P CA 1.920 65.050 63.100 0.051 0.000 0.849 367 P CB 0.034 31.759 31.700 0.041 0.000 0.787 368 E N 0.510 120.742 120.200 0.053 0.000 2.072 368 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 368 E C 2.259 178.899 176.600 0.066 0.000 0.985 368 E CA 0.986 57.418 56.400 0.054 0.000 0.801 368 E CB -1.142 28.586 29.700 0.047 0.000 0.750 368 E HN 0.285 nan 8.360 nan 0.000 0.452 369 Q N 0.838 120.681 119.800 0.072 0.000 2.020 369 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 369 Q C 2.531 178.587 176.000 0.094 0.000 0.982 369 Q CA 1.799 57.654 55.803 0.086 0.000 0.838 369 Q CB -0.253 28.536 28.738 0.086 0.000 0.899 369 Q HN 0.226 nan 8.270 nan 0.000 0.423 370 V N 1.742 121.707 119.914 0.084 0.000 2.252 370 V HA -0.337 3.783 4.120 -0.000 0.000 0.249 370 V C 2.357 178.509 176.094 0.097 0.000 1.056 370 V CA 2.315 64.667 62.300 0.086 0.000 1.022 370 V CB -0.653 31.217 31.823 0.078 0.000 0.641 370 V HN 0.366 nan 8.190 nan 0.000 0.445 371 K N -0.167 120.285 120.400 0.087 0.000 2.097 371 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 371 K C 2.379 179.029 176.600 0.084 0.000 1.049 371 K CA 1.481 57.820 56.287 0.086 0.000 0.933 371 K CB -0.145 32.395 32.500 0.067 0.000 0.717 371 K HN 0.367 nan 8.250 nan 0.000 0.442 372 R N 0.421 120.975 120.500 0.089 0.000 2.073 372 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 372 R C 2.403 178.787 176.300 0.140 0.000 1.134 372 R CA 1.804 57.956 56.100 0.086 0.000 0.952 372 R CB -0.477 29.887 30.300 0.107 0.000 0.850 372 R HN 0.277 nan 8.270 nan 0.000 0.433 373 I N 1.811 122.529 120.570 0.245 0.000 2.151 373 I HA -0.370 3.800 4.170 -0.000 0.000 0.243 373 I C 2.512 178.789 176.117 0.266 0.000 1.080 373 I CA 1.791 63.347 61.300 0.427 0.000 1.339 373 I CB -0.410 37.703 38.000 0.188 0.000 1.039 373 I HN 0.282 nan 8.210 nan 0.000 0.409 374 K N 1.107 121.567 120.400 0.100 0.000 2.062 374 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 374 K C 1.583 178.165 176.600 -0.030 0.000 1.051 374 K CA 1.297 57.569 56.287 -0.026 0.000 0.941 374 K CB -0.420 32.155 32.500 0.125 0.000 0.719 374 K HN 0.307 nan 8.250 nan 0.000 0.440 375 E N 0.991 121.201 120.200 0.016 0.000 2.516 375 E HA -0.132 4.218 4.350 -0.000 0.000 0.199 375 E C 1.215 177.755 176.600 -0.101 0.000 1.069 375 E CA 1.096 57.491 56.400 -0.009 0.000 0.876 375 E CB 0.176 29.877 29.700 0.003 0.000 0.843 375 E HN 0.684 nan 8.360 nan 0.000 0.530 376 E N -1.164 118.912 120.200 -0.207 0.000 2.684 376 E HA 0.004 4.354 4.350 -0.000 0.000 0.204 376 E C 1.180 177.547 176.600 -0.389 0.000 0.900 376 E CA -0.094 56.085 56.400 -0.367 0.000 1.481 376 E CB -0.461 28.881 29.700 -0.596 0.000 1.468 376 E HN 0.094 nan 8.360 nan 0.000 0.778 377 F N 1.997 121.903 119.950 -0.074 0.000 2.743 377 F HA 0.380 4.907 4.527 -0.000 0.000 0.297 377 F C 1.762 177.478 175.800 -0.140 0.000 1.131 377 F CA 0.811 58.759 58.000 -0.086 0.000 1.426 377 F CB 0.479 39.434 39.000 -0.076 0.000 1.116 377 F HN 0.319 nan 8.300 nan 0.000 0.583 378 G N 1.527 110.273 108.800 -0.091 0.000 2.168 378 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 378 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 378 G C 0.341 174.917 174.900 -0.541 0.000 0.997 378 G CA 0.374 45.287 45.100 -0.311 0.000 0.708 378 G HN 0.487 nan 8.290 nan 0.000 0.520 379 I N 0.804 121.171 120.570 -0.337 0.000 2.306 379 I HA 0.607 4.777 4.170 -0.000 0.000 0.288 379 I C -0.326 175.639 176.117 -0.253 0.000 1.036 379 I CA -1.503 59.652 61.300 -0.242 0.000 1.221 379 I CB 0.134 38.091 38.000 -0.071 0.000 1.385 379 I HN 0.076 nan 8.210 nan 0.000 0.472 380 Y N 7.959 128.329 120.300 0.117 0.000 2.350 380 Y HA 0.482 5.032 4.550 -0.000 0.000 0.340 380 Y C 0.416 176.343 175.900 0.045 0.000 1.006 380 Y CA -0.796 57.358 58.100 0.090 0.000 1.166 380 Y CB 0.912 39.443 38.460 0.118 0.000 1.168 380 Y HN 0.544 nan 8.280 nan 0.000 0.502 381 M N 0.570 120.277 119.600 0.178 0.000 2.572 381 M HA 0.769 5.249 4.480 -0.000 0.000 0.299 381 M C -1.423 174.938 176.300 0.102 0.000 1.205 381 M CA -1.300 54.069 55.300 0.114 0.000 0.876 381 M CB 1.634 34.282 32.600 0.080 0.000 1.728 381 M HN 0.177 nan 8.290 nan 0.000 0.458 382 V N 2.674 122.629 119.914 0.068 0.000 2.694 382 V HA 0.071 4.191 4.120 -0.000 0.000 0.306 382 V C 1.724 177.842 176.094 0.040 0.000 1.054 382 V CA 1.170 63.493 62.300 0.038 0.000 1.161 382 V CB 0.556 32.376 31.823 -0.006 0.000 0.916 382 V HN 1.149 nan 8.190 nan 0.000 0.490 383 G N 3.701 112.523 108.800 0.037 0.000 2.606 383 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.223 383 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.223 383 G C 0.907 175.828 174.900 0.035 0.000 1.106 383 G CA 1.102 46.226 45.100 0.039 0.000 0.745 383 G HN 1.001 nan 8.290 nan 0.000 0.597 384 D N -0.367 120.044 120.400 0.019 0.000 2.325 384 D HA 0.041 4.681 4.640 -0.000 0.000 0.234 384 D C 1.229 177.549 176.300 0.033 0.000 1.122 384 D CA 0.908 54.919 54.000 0.019 0.000 0.850 384 D CB -0.674 40.122 40.800 -0.008 0.000 0.921 384 D HN 0.684 nan 8.370 nan 0.000 0.513 385 S N -1.110 114.619 115.700 0.048 0.000 3.695 385 S HA -0.291 4.179 4.470 -0.000 0.000 0.310 385 S C 0.163 174.804 174.600 0.070 0.000 1.166 385 S CA 0.236 58.477 58.200 0.069 0.000 0.882 385 S CB -2.539 60.718 63.200 0.095 0.000 0.949 385 S HN 0.665 nan 8.310 nan 0.000 0.540 386 R N 1.461 121.987 120.500 0.044 0.000 2.234 386 R HA 0.661 5.001 4.340 -0.000 0.000 0.324 386 R C 0.527 176.887 176.300 0.099 0.000 1.054 386 R CA -0.349 55.779 56.100 0.048 0.000 0.912 386 R CB 0.309 30.581 30.300 -0.046 0.000 1.030 386 R HN 0.723 nan 8.270 nan 0.000 0.455 387 I N 1.366 122.025 120.570 0.147 0.000 2.493 387 I HA 0.410 4.580 4.170 -0.000 0.000 0.298 387 I C -0.697 175.545 176.117 0.209 0.000 0.998 387 I CA -1.120 60.265 61.300 0.140 0.000 1.137 387 I CB 1.944 39.994 38.000 0.082 0.000 1.310 387 I HN 0.418 nan 8.210 nan 0.000 0.445 388 N N 5.477 124.277 118.700 0.166 0.000 2.469 388 N HA 0.195 4.935 4.740 -0.000 0.000 0.239 388 N C 0.611 176.119 175.510 -0.004 0.000 1.053 388 N CA -0.687 52.414 53.050 0.084 0.000 0.937 388 N CB 0.892 39.422 38.487 0.071 0.000 1.163 388 N HN 0.828 nan 8.380 nan 0.000 0.509 389 I N 2.295 122.853 120.570 -0.020 0.000 2.423 389 I HA -0.063 4.107 4.170 -0.000 0.000 0.254 389 I C 1.727 177.832 176.117 -0.020 0.000 1.151 389 I CA 1.340 62.632 61.300 -0.013 0.000 1.421 389 I CB -0.640 37.361 38.000 0.002 0.000 1.079 389 I HN 0.403 nan 8.210 nan 0.000 0.431 390 A N 1.244 124.046 122.820 -0.031 0.000 2.178 390 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 390 A C 2.298 179.829 177.584 -0.087 0.000 1.157 390 A CA 1.181 53.209 52.037 -0.014 0.000 0.689 390 A CB -1.530 17.487 19.000 0.029 0.000 0.787 390 A HN 0.585 nan 8.150 nan 0.000 0.465 391 G N -1.337 107.416 108.800 -0.079 0.000 2.813 391 G HA2 0.325 4.285 3.960 -0.000 0.000 0.209 391 G HA3 0.325 4.285 3.960 -0.000 0.000 0.209 391 G C 0.470 175.328 174.900 -0.069 0.000 1.150 391 G CA 0.024 45.068 45.100 -0.093 0.000 0.785 391 G HN 0.277 nan 8.290 nan 0.000 0.535 392 L N 0.698 121.891 121.223 -0.050 0.000 2.400 392 L HA 0.541 4.881 4.340 -0.000 0.000 0.264 392 L C -0.048 176.800 176.870 -0.035 0.000 1.061 392 L CA -0.500 54.315 54.840 -0.042 0.000 0.799 392 L CB 1.249 43.284 42.059 -0.039 0.000 1.240 392 L HN 0.440 nan 8.230 nan 0.000 0.461 393 N N -2.075 116.606 118.700 -0.031 0.000 3.179 393 N HA 0.154 4.894 4.740 -0.000 0.000 0.250 393 N C -0.029 175.468 175.510 -0.022 0.000 1.507 393 N CA -0.580 52.456 53.050 -0.022 0.000 0.883 393 N CB 0.367 38.840 38.487 -0.023 0.000 1.435 393 N HN 0.326 nan 8.380 nan 0.000 0.532 394 D N -0.001 120.390 120.400 -0.015 0.000 2.133 394 D HA -0.182 4.458 4.640 -0.000 0.000 0.192 394 D C 0.718 177.007 176.300 -0.018 0.000 1.001 394 D CA 1.950 55.941 54.000 -0.015 0.000 0.844 394 D CB -0.405 40.390 40.800 -0.009 0.000 0.944 394 D HN 0.586 nan 8.370 nan 0.000 0.447 395 N N 0.205 118.895 118.700 -0.016 0.000 2.058 395 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 395 N C 1.953 177.451 175.510 -0.020 0.000 1.037 395 N CA 2.166 55.207 53.050 -0.014 0.000 0.848 395 N CB -0.779 37.702 38.487 -0.010 0.000 1.021 395 N HN 0.319 nan 8.380 nan 0.000 0.422 396 T N -1.520 113.019 114.554 -0.024 0.000 3.055 396 T HA 0.164 4.514 4.350 -0.000 0.000 0.265 396 T C 1.860 176.532 174.700 -0.047 0.000 1.111 396 T CA 0.219 62.300 62.100 -0.031 0.000 1.118 396 T CB -0.386 68.465 68.868 -0.028 0.000 0.909 396 T HN 0.103 nan 8.240 nan 0.000 0.501 397 I N 2.577 123.120 120.570 -0.046 0.000 2.113 397 I HA -0.079 4.090 4.170 -0.000 0.000 0.238 397 I C -0.108 175.968 176.117 -0.069 0.000 1.070 397 I CA 1.376 62.640 61.300 -0.059 0.000 1.332 397 I CB -1.027 36.942 38.000 -0.051 0.000 1.044 397 I HN 0.220 nan 8.210 nan 0.000 0.402 398 P HA -0.165 nan 4.420 nan 0.000 0.218 398 P C 1.862 179.120 177.300 -0.070 0.000 1.148 398 P CA 1.721 64.787 63.100 -0.057 0.000 0.822 398 P CB -0.107 31.570 31.700 -0.038 0.000 0.784 399 I N -0.740 119.791 120.570 -0.066 0.000 2.179 399 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 399 I C 2.570 178.609 176.117 -0.131 0.000 1.088 399 I CA 1.028 62.281 61.300 -0.078 0.000 1.357 399 I CB -0.732 37.239 38.000 -0.049 0.000 1.051 399 I HN -0.066 nan 8.210 nan 0.000 0.409 400 L N 1.369 122.517 121.223 -0.125 0.000 1.994 400 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 400 L C 2.601 179.356 176.870 -0.191 0.000 1.071 400 L CA 2.194 56.938 54.840 -0.160 0.000 0.745 400 L CB -0.883 41.099 42.059 -0.128 0.000 0.892 400 L HN 0.166 nan 8.230 nan 0.000 0.431 401 A N -0.276 122.447 122.820 -0.162 0.000 1.892 401 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 401 A C 2.536 180.031 177.584 -0.147 0.000 1.188 401 A CA 2.152 54.091 52.037 -0.164 0.000 0.631 401 A CB -0.717 18.211 19.000 -0.120 0.000 0.822 401 A HN 0.532 nan 8.150 nan 0.000 0.447 402 R N -0.973 119.446 120.500 -0.134 0.000 2.073 402 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 402 R C 2.529 178.704 176.300 -0.209 0.000 1.134 402 R CA 1.244 57.269 56.100 -0.126 0.000 0.952 402 R CB -0.467 29.775 30.300 -0.097 0.000 0.850 402 R HN 0.522 nan 8.270 nan 0.000 0.433 403 A N 1.543 124.157 122.820 -0.344 0.000 1.948 403 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 403 A C 2.121 179.414 177.584 -0.485 0.000 1.177 403 A CA 1.790 53.416 52.037 -0.684 0.000 0.636 403 A CB -0.705 17.776 19.000 -0.865 0.000 0.815 403 A HN 0.570 nan 8.150 nan 0.000 0.449 404 I N -3.601 116.801 120.570 -0.280 0.000 2.617 404 I HA -0.049 4.121 4.170 -0.000 0.000 0.256 404 I C 1.785 177.867 176.117 -0.058 0.000 1.167 404 I CA 0.716 61.923 61.300 -0.155 0.000 1.469 404 I CB -0.189 37.713 38.000 -0.163 0.000 1.098 404 I HN 0.076 nan 8.210 nan 0.000 0.436 405 I N 1.932 122.466 120.570 -0.061 0.000 2.252 405 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 405 I C 2.564 178.686 176.117 0.009 0.000 1.102 405 I CA 1.381 62.686 61.300 0.008 0.000 1.385 405 I CB -1.223 36.778 38.000 0.001 0.000 1.064 405 I HN 0.340 nan 8.210 nan 0.000 0.414 406 E N 0.262 120.445 120.200 -0.029 0.000 2.204 406 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 406 E C 2.250 178.892 176.600 0.071 0.000 0.989 406 E CA 0.653 57.069 56.400 0.027 0.000 0.824 406 E CB -0.425 29.302 29.700 0.046 0.000 0.756 406 E HN 0.274 nan 8.360 nan 0.000 0.477 407 V N -0.000 119.938 119.914 0.040 0.000 3.306 407 V HA 0.045 4.165 4.120 -0.000 0.000 0.264 407 V C 1.274 177.415 176.094 0.079 0.000 1.149 407 V CA 1.152 63.504 62.300 0.088 0.000 1.143 407 V CB -0.711 31.157 31.823 0.075 0.000 0.767 407 V HN 0.377 nan 8.190 nan 0.000 0.476 408 G N 0.153 108.995 108.800 0.070 0.000 2.652 408 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.318 408 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.318 408 G C 0.212 175.168 174.900 0.092 0.000 1.295 408 G CA 0.901 46.049 45.100 0.079 0.000 0.999 408 G HN 1.437 nan 8.290 nan 0.000 0.548 409 V N 0.000 119.959 119.914 0.076 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.343 62.300 0.072 0.000 1.235 409 V CB 0.000 31.873 31.823 0.084 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556