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 1fpq_1_A DATA FIRST_RESID 20 DATA SEQUENCE TEDSACLSAX VLTTNLVYPA VLNAAIDLNL FEIIAKATPP GAFXSPSEIA DATA SEQUENCE SKLPASTQHS DLPNRLDRXL RLLASYSVLT STTRTIEDGG AERVYGLSXV DATA SEQUENCE GKYLVPDESR GYLASFTTFL CYPALLQVWX NFKEAVVDED XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX KXNQIFNKSX VDVCATEXKR XLEIYTGFEG ISTLVDVGGG DATA SEQUENCE SGRNLELIIS KYPLIKGINF DLPQVIENAP PLSGIEHVGG DXFASVPQGD DATA SEQUENCE AXILKAVCHN WSDEKCIEFL SNCHKALSPN GKVIIVEFIL PEEPNTSEES DATA SEQUENCE KLVSTLDNLX FITVGGRERT EKQYEKLSKL SGFSKFQVAC RAFNSLGVXE DATA SEQUENCE FYK 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 20 T HA 0.000 nan 4.350 nan 0.000 0.228 20 T C 0.000 174.733 174.700 0.054 0.000 1.109 20 T CA 0.000 62.124 62.100 0.041 0.000 1.349 20 T CB 0.000 68.894 68.868 0.043 0.000 0.612 21 E N 1.600 121.838 120.200 0.064 0.000 2.077 21 E HA -0.114 4.236 4.350 0.000 0.000 0.193 21 E C 1.577 178.260 176.600 0.139 0.000 0.989 21 E CA 1.741 58.192 56.400 0.085 0.000 0.800 21 E CB 0.111 29.863 29.700 0.088 0.000 0.746 21 E HN 0.596 nan 8.360 nan 0.000 0.452 22 D N -0.620 119.876 120.400 0.159 0.000 2.123 22 D HA -0.121 4.519 4.640 0.000 0.000 0.196 22 D C 1.951 178.377 176.300 0.209 0.000 0.992 22 D CA 1.179 55.331 54.000 0.254 0.000 0.833 22 D CB -0.166 40.724 40.800 0.149 0.000 0.954 22 D HN 0.107 nan 8.370 nan 0.000 0.455 23 S N 0.167 115.937 115.700 0.117 0.000 2.368 23 S HA -0.094 4.377 4.470 0.000 0.000 0.224 23 S C 2.071 176.701 174.600 0.050 0.000 1.029 23 S CA 1.014 59.261 58.200 0.078 0.000 0.988 23 S CB -0.042 63.189 63.200 0.051 0.000 0.838 23 S HN 0.341 nan 8.310 nan 0.000 0.462 24 A N 0.005 122.851 122.820 0.043 0.000 1.902 24 A HA -0.184 4.137 4.320 0.000 0.000 0.217 24 A C 2.435 180.005 177.584 -0.023 0.000 1.181 24 A CA 1.674 53.719 52.037 0.013 0.000 0.623 24 A CB -1.356 17.654 19.000 0.016 0.000 0.818 24 A HN 0.633 nan 8.150 nan 0.000 0.443 25 C N -0.983 118.293 119.300 -0.040 0.000 2.446 25 C HA -0.033 4.427 4.460 0.000 0.000 0.277 25 C C 2.514 177.375 174.990 -0.215 0.000 1.275 25 C CA 1.171 60.068 59.018 -0.202 0.000 1.727 25 C CB -1.443 26.036 27.740 -0.436 0.000 2.010 25 C HN 0.620 nan 8.230 nan 0.000 0.486 26 L N 1.180 122.356 121.223 -0.079 0.000 2.042 26 L HA -0.081 4.259 4.340 0.000 0.000 0.210 26 L C 2.552 179.403 176.870 -0.032 0.000 1.076 26 L CA 2.528 57.361 54.840 -0.012 0.000 0.749 26 L CB -0.912 41.199 42.059 0.086 0.000 0.893 26 L HN 0.321 nan 8.230 nan 0.000 0.432 27 S N -0.182 115.503 115.700 -0.026 0.000 2.383 27 S HA 0.089 4.559 4.470 0.000 0.000 0.227 27 S C 1.275 175.853 174.600 -0.037 0.000 1.026 27 S CA 0.532 58.718 58.200 -0.023 0.000 0.981 27 S CB -0.592 62.601 63.200 -0.012 0.000 0.818 27 S HN 0.689 nan 8.310 nan 0.000 0.472 31 L N 2.012 123.229 121.223 -0.009 0.000 2.017 31 L HA -0.089 4.252 4.340 0.000 0.000 0.208 31 L C 2.450 179.313 176.870 -0.012 0.000 1.073 31 L CA 3.411 58.248 54.840 -0.006 0.000 0.745 31 L CB -0.870 41.179 42.059 -0.016 0.000 0.894 31 L HN 0.619 nan 8.230 nan 0.000 0.432 32 T N -4.393 110.147 114.554 -0.023 0.000 3.072 32 T HA -0.074 4.276 4.350 0.000 0.000 0.266 32 T C 1.361 176.053 174.700 -0.013 0.000 1.127 32 T CA 1.054 63.142 62.100 -0.021 0.000 1.107 32 T CB -1.096 67.755 68.868 -0.029 0.000 0.910 32 T HN 0.585 nan 8.240 nan 0.000 0.513 33 T N -0.317 114.230 114.554 -0.011 0.000 3.134 33 T HA 0.161 4.511 4.350 0.000 0.000 0.260 33 T C 1.366 176.077 174.700 0.018 0.000 1.027 33 T CA -0.032 62.068 62.100 -0.001 0.000 0.913 33 T CB -0.970 67.888 68.868 -0.016 0.000 1.046 33 T HN 0.701 nan 8.240 nan 0.000 0.553 34 N N 0.975 119.686 118.700 0.019 0.000 2.405 34 N HA -0.152 4.588 4.740 0.000 0.000 0.189 34 N C 1.702 177.228 175.510 0.026 0.000 1.021 34 N CA 0.566 53.637 53.050 0.036 0.000 0.891 34 N CB -0.446 38.051 38.487 0.015 0.000 0.955 34 N HN 0.245 nan 8.380 nan 0.000 0.443 35 L N 0.860 122.087 121.223 0.007 0.000 2.217 35 L HA 0.024 4.364 4.340 0.000 0.000 0.211 35 L C 1.984 178.863 176.870 0.014 0.000 1.107 35 L CA 0.836 55.672 54.840 -0.008 0.000 0.783 35 L CB -0.142 41.912 42.059 -0.008 0.000 0.919 35 L HN 0.067 nan 8.230 nan 0.000 0.442 36 V N -1.107 118.833 119.914 0.044 0.000 2.490 36 V HA -0.352 3.769 4.120 0.000 0.000 0.250 36 V C 2.212 178.367 176.094 0.102 0.000 1.061 36 V CA 2.074 64.413 62.300 0.065 0.000 1.064 36 V CB -1.066 30.799 31.823 0.070 0.000 0.670 36 V HN 0.581 nan 8.190 nan 0.000 0.461 37 Y N 2.071 122.317 120.300 -0.089 0.000 2.097 37 Y HA -0.176 4.375 4.550 0.001 0.000 0.282 37 Y C 0.386 176.198 175.900 -0.148 0.000 1.152 37 Y CA 1.813 59.806 58.100 -0.178 0.000 1.136 37 Y CB -0.911 37.328 38.460 -0.369 0.000 0.975 37 Y HN 0.321 nan 8.280 nan 0.000 0.498 38 P HA -0.154 nan 4.420 nan 0.000 0.219 38 P C 1.133 178.369 177.300 -0.108 0.000 1.150 38 P CA 2.000 64.950 63.100 -0.250 0.000 0.814 38 P CB -0.212 31.341 31.700 -0.244 0.000 0.787 39 A N 0.221 123.018 122.820 -0.039 0.000 1.877 39 A HA -0.115 4.205 4.320 0.000 0.000 0.216 39 A C 2.488 180.089 177.584 0.027 0.000 1.186 39 A CA 1.883 53.920 52.037 0.000 0.000 0.620 39 A CB -1.623 17.390 19.000 0.022 0.000 0.822 39 A HN 0.063 nan 8.150 nan 0.000 0.443 40 V N -0.286 119.660 119.914 0.054 0.000 2.358 40 V HA -0.204 3.916 4.120 0.000 0.000 0.246 40 V C 2.496 178.636 176.094 0.078 0.000 1.047 40 V CA 1.861 64.207 62.300 0.077 0.000 1.035 40 V CB -0.781 31.110 31.823 0.114 0.000 0.658 40 V HN 0.605 nan 8.190 nan 0.000 0.452 41 L N 1.182 122.441 121.223 0.061 0.000 2.012 41 L HA -0.190 4.150 4.340 0.000 0.000 0.210 41 L C 2.180 179.103 176.870 0.089 0.000 1.073 41 L CA 2.490 57.379 54.840 0.080 0.000 0.748 41 L CB -1.067 40.928 42.059 -0.106 0.000 0.891 41 L HN 0.425 nan 8.230 nan 0.000 0.431 42 N N -0.212 118.500 118.700 0.020 0.000 2.149 42 N HA -0.183 4.558 4.740 0.000 0.000 0.188 42 N C 1.737 177.281 175.510 0.058 0.000 1.019 42 N CA 1.717 54.785 53.050 0.030 0.000 0.857 42 N CB -0.251 38.235 38.487 -0.003 0.000 0.997 42 N HN 0.536 nan 8.380 nan 0.000 0.426 43 A N 0.086 122.936 122.820 0.050 0.000 1.897 43 A HA 0.192 4.513 4.320 0.000 0.000 0.215 43 A C 2.347 179.946 177.584 0.026 0.000 1.181 43 A CA 1.585 53.646 52.037 0.040 0.000 0.620 43 A CB -1.155 17.869 19.000 0.040 0.000 0.821 43 A HN 0.411 nan 8.150 nan 0.000 0.443 44 A N 0.125 122.961 122.820 0.027 0.000 1.908 44 A HA -0.128 4.192 4.320 0.000 0.000 0.218 44 A C 2.108 179.686 177.584 -0.009 0.000 1.181 44 A CA 1.643 53.632 52.037 -0.081 0.000 0.627 44 A CB -0.631 18.309 19.000 -0.099 0.000 0.818 44 A HN 0.502 nan 8.150 nan 0.000 0.445 45 I N -0.101 120.602 120.570 0.221 0.000 2.202 45 I HA -0.221 3.950 4.170 0.000 0.000 0.242 45 I C 1.744 177.954 176.117 0.155 0.000 1.091 45 I CA 1.479 62.948 61.300 0.283 0.000 1.368 45 I CB -0.420 37.729 38.000 0.249 0.000 1.058 45 I HN 0.272 nan 8.210 nan 0.000 0.410 46 D N 0.775 121.236 120.400 0.101 0.000 2.178 46 D HA -0.096 4.544 4.640 0.000 0.000 0.202 46 D C 2.101 178.428 176.300 0.045 0.000 0.974 46 D CA 1.202 55.246 54.000 0.074 0.000 0.841 46 D CB -0.097 40.738 40.800 0.058 0.000 0.953 46 D HN 0.343 nan 8.370 nan 0.000 0.478 47 L N 0.232 121.464 121.223 0.015 0.000 2.599 47 L HA 0.013 4.353 4.340 0.000 0.000 0.230 47 L C -0.274 176.575 176.870 -0.035 0.000 1.141 47 L CA 0.030 54.859 54.840 -0.018 0.000 0.877 47 L CB -0.624 41.404 42.059 -0.051 0.000 1.009 47 L HN -0.023 nan 8.230 nan 0.000 0.447 48 N N -1.062 117.636 118.700 -0.003 0.000 2.721 48 N HA -0.235 4.505 4.740 0.000 0.000 0.249 48 N C 0.846 176.309 175.510 -0.078 0.000 1.072 48 N CA 0.370 53.427 53.050 0.011 0.000 0.710 48 N CB -1.619 36.879 38.487 0.019 0.000 0.993 48 N HN 0.312 nan 8.380 nan 0.000 0.547 49 L N -1.300 119.775 121.223 -0.247 0.000 2.083 49 L HA -0.127 4.213 4.340 0.000 0.000 0.209 49 L C 1.709 178.349 176.870 -0.384 0.000 1.083 49 L CA 1.486 56.091 54.840 -0.392 0.000 0.752 49 L CB -0.405 41.293 42.059 -0.602 0.000 0.899 49 L HN 0.259 nan 8.230 nan 0.000 0.433 50 F N 0.212 120.167 119.950 0.008 0.000 2.146 50 F HA -0.179 4.348 4.527 0.000 0.000 0.298 50 F C 2.689 178.493 175.800 0.007 0.000 1.096 50 F CA 1.237 59.245 58.000 0.013 0.000 1.275 50 F CB -0.370 38.660 39.000 0.050 0.000 1.008 50 F HN 0.077 nan 8.300 nan 0.000 0.480 51 E N 1.011 121.308 120.200 0.162 0.000 2.077 51 E HA -0.191 4.159 4.350 0.000 0.000 0.193 51 E C 2.235 178.853 176.600 0.029 0.000 0.989 51 E CA 1.194 57.640 56.400 0.077 0.000 0.800 51 E CB -0.184 29.545 29.700 0.047 0.000 0.746 51 E HN 0.417 nan 8.360 nan 0.000 0.452 52 I N 0.834 121.404 120.570 -0.000 0.000 2.127 52 I HA -0.313 3.857 4.170 0.000 0.000 0.241 52 I C 2.381 178.493 176.117 -0.010 0.000 1.075 52 I CA 1.135 62.424 61.300 -0.018 0.000 1.334 52 I CB -0.238 37.732 38.000 -0.049 0.000 1.040 52 I HN 0.204 nan 8.210 nan 0.000 0.405 53 I N 0.796 121.357 120.570 -0.015 0.000 2.286 53 I HA -0.274 3.896 4.170 0.000 0.000 0.248 53 I C 2.667 178.792 176.117 0.014 0.000 1.115 53 I CA 1.249 62.547 61.300 -0.003 0.000 1.392 53 I CB -0.488 37.506 38.000 -0.011 0.000 1.065 53 I HN 0.189 nan 8.210 nan 0.000 0.418 54 A N 0.428 123.266 122.820 0.031 0.000 2.125 54 A HA -0.145 4.175 4.320 0.000 0.000 0.219 54 A C 1.935 179.529 177.584 0.017 0.000 1.156 54 A CA 1.248 53.301 52.037 0.026 0.000 0.671 54 A CB -0.346 18.675 19.000 0.035 0.000 0.794 54 A HN 0.367 nan 8.150 nan 0.000 0.459 55 K N 0.145 120.554 120.400 0.014 0.000 2.493 55 K HA 0.393 4.713 4.320 0.000 0.000 0.207 55 K C 0.252 176.862 176.600 0.016 0.000 1.033 55 K CA 0.077 56.370 56.287 0.011 0.000 1.161 55 K CB 0.358 32.861 32.500 0.005 0.000 0.873 55 K HN 0.395 nan 8.250 nan 0.000 0.491 56 A N 1.222 124.057 122.820 0.025 0.000 2.546 56 A HA -0.042 4.278 4.320 0.000 0.000 0.243 56 A C 1.649 179.253 177.584 0.033 0.000 1.063 56 A CA 0.494 52.552 52.037 0.035 0.000 0.757 56 A CB 0.222 19.255 19.000 0.056 0.000 0.991 56 A HN 0.387 nan 8.150 nan 0.000 0.503 57 T N 2.961 117.533 114.554 0.029 0.000 2.564 57 T HA -0.128 4.222 4.350 0.000 0.000 0.264 57 T C -0.931 173.786 174.700 0.027 0.000 1.100 57 T CA 1.808 63.922 62.100 0.024 0.000 1.171 57 T CB -1.435 67.446 68.868 0.021 0.000 0.863 57 T HN 0.614 nan 8.240 nan 0.000 0.430 58 P HA 0.345 nan 4.420 nan 0.000 0.278 58 P C -2.598 174.728 177.300 0.043 0.000 1.238 58 P CA -1.811 61.309 63.100 0.035 0.000 0.794 58 P CB 0.575 32.297 31.700 0.037 0.000 0.955 59 P HA 0.024 nan 4.420 nan 0.000 0.266 59 P C 0.752 178.088 177.300 0.060 0.000 1.215 59 P CA 0.726 63.850 63.100 0.039 0.000 0.763 59 P CB 0.320 32.036 31.700 0.028 0.000 0.806 60 G N 2.466 111.308 108.800 0.071 0.000 2.199 60 G HA2 -0.225 3.736 3.960 0.000 0.000 0.254 60 G HA3 -0.225 3.736 3.960 0.000 0.000 0.254 60 G C 0.432 175.453 174.900 0.201 0.000 0.982 60 G CA 0.083 45.250 45.100 0.111 0.000 0.632 60 G HN 0.882 nan 8.290 nan 0.000 0.529 61 A N 0.018 122.940 122.820 0.170 0.000 2.498 61 A HA 0.627 4.947 4.320 0.000 0.000 0.239 61 A C 0.514 178.301 177.584 0.339 0.000 1.068 61 A CA 0.149 52.323 52.037 0.230 0.000 0.766 61 A CB 0.148 19.224 19.000 0.126 0.000 1.003 61 A HN 0.561 nan 8.150 nan 0.000 0.497 65 P HA -0.037 nan 4.420 nan 0.000 0.216 65 P C 1.427 178.727 177.300 -0.000 0.000 1.150 65 P CA 1.786 64.913 63.100 0.045 0.000 0.837 65 P CB -0.080 31.649 31.700 0.048 0.000 0.786 66 S N -0.169 115.536 115.700 0.008 0.000 2.356 66 S HA -0.194 4.276 4.470 0.000 0.000 0.223 66 S C 1.785 176.379 174.600 -0.010 0.000 1.032 66 S CA 1.344 59.538 58.200 -0.010 0.000 1.005 66 S CB -0.916 62.282 63.200 -0.002 0.000 0.867 66 S HN 0.365 nan 8.310 nan 0.000 0.449 67 E N 0.952 121.157 120.200 0.007 0.000 2.058 67 E HA -0.141 4.209 4.350 0.000 0.000 0.194 67 E C 2.045 178.641 176.600 -0.006 0.000 0.997 67 E CA 1.278 57.683 56.400 0.007 0.000 0.801 67 E CB -0.420 29.295 29.700 0.026 0.000 0.746 67 E HN 0.490 nan 8.360 nan 0.000 0.450 68 I N 1.303 121.867 120.570 -0.010 0.000 2.226 68 I HA -0.257 3.914 4.170 0.000 0.000 0.245 68 I C 2.620 178.706 176.117 -0.051 0.000 1.100 68 I CA 0.963 62.242 61.300 -0.036 0.000 1.374 68 I CB -0.392 37.573 38.000 -0.058 0.000 1.057 68 I HN 0.070 nan 8.210 nan 0.000 0.413 69 A N 0.892 123.679 122.820 -0.056 0.000 1.940 69 A HA -0.233 4.088 4.320 0.000 0.000 0.219 69 A C 2.451 180.002 177.584 -0.054 0.000 1.176 69 A CA 2.229 54.224 52.037 -0.071 0.000 0.631 69 A CB -0.836 18.110 19.000 -0.089 0.000 0.814 69 A HN 0.552 nan 8.150 nan 0.000 0.446 70 S N -0.996 114.681 115.700 -0.038 0.000 2.515 70 S HA -0.015 4.455 4.470 0.000 0.000 0.231 70 S C 1.448 176.035 174.600 -0.021 0.000 0.987 70 S CA 0.947 59.132 58.200 -0.027 0.000 0.936 70 S CB -0.045 63.145 63.200 -0.017 0.000 0.766 70 S HN 0.435 nan 8.310 nan 0.000 0.528 71 K N 0.832 121.217 120.400 -0.024 0.000 2.400 71 K HA 0.378 4.698 4.320 0.000 0.000 0.194 71 K C 0.630 177.218 176.600 -0.020 0.000 1.033 71 K CA -0.043 56.232 56.287 -0.020 0.000 1.021 71 K CB -0.286 32.202 32.500 -0.021 0.000 0.808 71 K HN 0.449 nan 8.250 nan 0.000 0.505 72 L N 1.705 122.912 121.223 -0.026 0.000 2.468 72 L HA 0.182 4.522 4.340 0.000 0.000 0.254 72 L C -1.981 174.883 176.870 -0.009 0.000 1.171 72 L CA -2.048 52.779 54.840 -0.021 0.000 0.809 72 L CB -0.171 41.871 42.059 -0.028 0.000 1.155 72 L HN -0.182 nan 8.230 nan 0.000 0.473 73 P HA -0.065 nan 4.420 nan 0.000 0.266 73 P C -0.118 177.188 177.300 0.010 0.000 1.193 73 P CA 0.193 63.297 63.100 0.007 0.000 0.770 73 P CB 0.635 32.343 31.700 0.013 0.000 0.836 74 A N 2.611 125.437 122.820 0.010 0.000 1.933 74 A HA -0.186 4.135 4.320 0.000 0.000 0.218 74 A C 2.084 179.682 177.584 0.024 0.000 1.175 74 A CA 2.200 54.245 52.037 0.012 0.000 0.628 74 A CB -1.651 17.356 19.000 0.011 0.000 0.814 74 A HN 0.613 nan 8.150 nan 0.000 0.444 75 S N -0.413 115.303 115.700 0.027 0.000 2.507 75 S HA -0.114 4.356 4.470 0.000 0.000 0.235 75 S C 1.605 176.241 174.600 0.060 0.000 0.988 75 S CA 1.673 59.894 58.200 0.036 0.000 0.944 75 S CB -1.023 62.194 63.200 0.027 0.000 0.762 75 S HN 0.813 nan 8.310 nan 0.000 0.526 76 T N -1.564 113.028 114.554 0.064 0.000 3.060 76 T HA 0.211 4.562 4.350 0.000 0.000 0.249 76 T C 0.466 175.253 174.700 0.145 0.000 1.079 76 T CA -0.329 61.836 62.100 0.107 0.000 1.013 76 T CB -0.369 68.541 68.868 0.069 0.000 0.975 76 T HN 0.442 nan 8.240 nan 0.000 0.518 77 Q N 3.064 122.907 119.800 0.071 0.000 2.344 77 Q HA 0.261 4.601 4.340 0.000 0.000 0.253 77 Q C -0.198 175.835 176.000 0.055 0.000 1.050 77 Q CA -0.404 55.397 55.803 -0.004 0.000 0.912 77 Q CB 0.311 29.037 28.738 -0.020 0.000 1.258 77 Q HN 0.694 nan 8.270 nan 0.000 0.443 78 H N -0.612 118.462 119.070 0.008 0.000 2.834 78 H HA 0.264 4.820 4.556 0.000 0.000 0.369 78 H C 0.722 176.056 175.328 0.011 0.000 1.174 78 H CA -0.570 55.485 56.048 0.012 0.000 1.165 78 H CB 1.001 30.774 29.762 0.019 0.000 1.820 78 H HN 0.542 nan 8.280 nan 0.000 0.558 79 S N -0.005 115.755 115.700 0.100 0.000 2.380 79 S HA -0.310 4.160 4.470 0.000 0.000 0.229 79 S C 1.053 175.656 174.600 0.006 0.000 1.043 79 S CA 2.021 60.244 58.200 0.039 0.000 1.038 79 S CB -0.515 62.724 63.200 0.065 0.000 0.872 79 S HN 0.724 nan 8.310 nan 0.000 0.456 80 D N 0.001 120.453 120.400 0.087 0.000 2.325 80 D HA 0.235 4.875 4.640 0.000 0.000 0.225 80 D C 1.290 177.544 176.300 -0.078 0.000 1.096 80 D CA -0.126 53.915 54.000 0.067 0.000 0.844 80 D CB -0.155 40.756 40.800 0.184 0.000 0.925 80 D HN 0.311 nan 8.370 nan 0.000 0.513 81 L N 0.757 121.735 121.223 -0.407 0.000 2.017 81 L HA 0.067 4.408 4.340 0.000 0.000 0.208 81 L C -0.924 175.822 176.870 -0.206 0.000 1.073 81 L CA 1.864 56.425 54.840 -0.465 0.000 0.745 81 L CB -1.071 40.621 42.059 -0.611 0.000 0.894 81 L HN 0.020 nan 8.230 nan 0.000 0.432 82 P HA -0.158 nan 4.420 nan 0.000 0.216 82 P C 1.140 178.395 177.300 -0.074 0.000 1.153 82 P CA 1.625 64.670 63.100 -0.091 0.000 0.858 82 P CB -0.084 31.580 31.700 -0.059 0.000 0.789 83 N N -0.867 117.793 118.700 -0.067 0.000 2.188 83 N HA -0.110 4.630 4.740 0.000 0.000 0.184 83 N C 1.702 177.145 175.510 -0.111 0.000 1.018 83 N CA 1.045 54.061 53.050 -0.056 0.000 0.858 83 N CB -0.204 38.267 38.487 -0.027 0.000 0.989 83 N HN -0.041 nan 8.380 nan 0.000 0.426 84 R N -0.180 120.227 120.500 -0.155 0.000 2.075 84 R HA 0.009 4.350 4.340 0.000 0.000 0.232 84 R C 2.104 178.242 176.300 -0.270 0.000 1.126 84 R CA 0.923 56.842 56.100 -0.301 0.000 0.963 84 R CB -0.355 29.779 30.300 -0.276 0.000 0.858 84 R HN 0.281 nan 8.270 nan 0.000 0.435 85 L N 0.434 121.545 121.223 -0.186 0.000 2.056 85 L HA -0.184 4.156 4.340 0.000 0.000 0.207 85 L C 2.109 178.869 176.870 -0.184 0.000 1.078 85 L CA 1.355 56.087 54.840 -0.180 0.000 0.749 85 L CB -0.476 41.491 42.059 -0.154 0.000 0.901 85 L HN 0.162 nan 8.230 nan 0.000 0.433 86 D N -0.139 120.188 120.400 -0.122 0.000 2.182 86 D HA -0.123 4.518 4.640 0.000 0.000 0.201 86 D C 1.319 177.583 176.300 -0.061 0.000 0.986 86 D CA 0.752 54.720 54.000 -0.054 0.000 0.847 86 D CB 0.241 41.063 40.800 0.038 0.000 0.942 86 D HN 0.145 nan 8.370 nan 0.000 0.467 90 R N 0.964 121.449 120.500 -0.025 0.000 2.083 90 R HA -0.088 4.253 4.340 0.000 0.000 0.237 90 R C 2.175 178.533 176.300 0.096 0.000 1.137 90 R CA 1.812 57.992 56.100 0.132 0.000 0.951 90 R CB -0.090 30.273 30.300 0.105 0.000 0.851 90 R HN 0.264 nan 8.270 nan 0.000 0.434 91 L N 0.755 122.018 121.223 0.068 0.000 2.017 91 L HA -0.204 4.136 4.340 0.000 0.000 0.208 91 L C 2.219 179.194 176.870 0.174 0.000 1.073 91 L CA 1.410 56.315 54.840 0.108 0.000 0.745 91 L CB -0.240 41.886 42.059 0.111 0.000 0.894 91 L HN 0.308 nan 8.230 nan 0.000 0.432 92 L N -0.573 120.743 121.223 0.155 0.000 2.079 92 L HA -0.212 4.128 4.340 0.000 0.000 0.210 92 L C 2.731 179.726 176.870 0.208 0.000 1.081 92 L CA 1.179 56.151 54.840 0.221 0.000 0.752 92 L CB -0.656 41.515 42.059 0.187 0.000 0.896 92 L HN 0.298 nan 8.230 nan 0.000 0.433 93 A N -1.043 121.881 122.820 0.172 0.000 1.968 93 A HA -0.120 4.201 4.320 0.000 0.000 0.217 93 A C 2.442 180.087 177.584 0.101 0.000 1.169 93 A CA 1.548 53.696 52.037 0.186 0.000 0.638 93 A CB -0.391 18.784 19.000 0.292 0.000 0.812 93 A HN 0.342 nan 8.150 nan 0.000 0.446 94 S N -1.554 114.174 115.700 0.047 0.000 2.447 94 S HA -0.085 4.385 4.470 0.000 0.000 0.233 94 S C 1.065 175.495 174.600 -0.283 0.000 1.006 94 S CA 0.873 59.007 58.200 -0.109 0.000 0.957 94 S CB -0.419 62.685 63.200 -0.159 0.000 0.773 94 S HN 0.686 nan 8.310 nan 0.000 0.507 95 Y N 1.092 121.354 120.300 -0.062 0.000 2.493 95 Y HA 0.239 4.789 4.550 0.000 0.000 0.275 95 Y C 1.123 177.040 175.900 0.029 0.000 1.183 95 Y CA -0.365 57.688 58.100 -0.078 0.000 1.258 95 Y CB 0.070 38.405 38.460 -0.209 0.000 1.108 95 Y HN 0.049 nan 8.280 nan 0.000 0.521 96 S N -1.290 114.482 115.700 0.120 0.000 3.490 96 S HA -0.192 4.278 4.470 0.000 0.000 0.301 96 S C 1.210 175.896 174.600 0.144 0.000 1.233 96 S CA 0.715 58.984 58.200 0.116 0.000 0.914 96 S CB -1.662 61.592 63.200 0.090 0.000 1.047 96 S HN 0.319 nan 8.310 nan 0.000 0.602 97 V N -0.364 119.660 119.914 0.184 0.000 2.725 97 V HA 0.206 4.326 4.120 0.000 0.000 0.247 97 V C 0.882 177.073 176.094 0.161 0.000 1.058 97 V CA 1.239 63.639 62.300 0.168 0.000 1.080 97 V CB -0.111 31.838 31.823 0.212 0.000 0.713 97 V HN 0.476 nan 8.190 nan 0.000 0.465 98 L N 0.009 121.335 121.223 0.171 0.000 2.341 98 L HA 0.537 4.877 4.340 0.000 0.000 0.267 98 L C 0.099 177.046 176.870 0.127 0.000 1.009 98 L CA -0.469 54.461 54.840 0.149 0.000 0.819 98 L CB 2.255 44.427 42.059 0.189 0.000 1.323 98 L HN 0.144 nan 8.230 nan 0.000 0.425 99 T N -1.663 112.918 114.554 0.046 0.000 2.928 99 T HA 0.588 4.938 4.350 0.000 0.000 0.284 99 T C -0.269 174.480 174.700 0.082 0.000 1.008 99 T CA -0.658 61.479 62.100 0.062 0.000 1.057 99 T CB 1.920 70.814 68.868 0.044 0.000 1.018 99 T HN 0.492 nan 8.240 nan 0.000 0.493 100 S N 0.166 115.954 115.700 0.146 0.000 2.546 100 S HA 0.751 5.222 4.470 0.000 0.000 0.274 100 S C -0.845 173.815 174.600 0.100 0.000 1.121 100 S CA -0.448 57.774 58.200 0.037 0.000 0.887 100 S CB 1.883 65.032 63.200 -0.083 0.000 1.094 100 S HN 1.222 nan 8.310 nan 0.000 0.474 101 T N 0.904 115.481 114.554 0.038 0.000 2.661 101 T HA 0.675 5.026 4.350 0.000 0.000 0.305 101 T C -1.425 173.232 174.700 -0.071 0.000 1.441 101 T CA -0.056 62.035 62.100 -0.015 0.000 0.999 101 T CB 1.099 69.932 68.868 -0.058 0.000 1.650 101 T HN 0.957 nan 8.240 nan 0.000 0.489 102 T N 0.249 114.758 114.554 -0.076 0.000 2.885 102 T HA 0.780 5.130 4.350 0.000 0.000 0.285 102 T C -0.541 174.115 174.700 -0.073 0.000 1.019 102 T CA -0.876 61.182 62.100 -0.069 0.000 1.010 102 T CB 1.663 70.500 68.868 -0.053 0.000 1.022 102 T HN 0.722 nan 8.240 nan 0.000 0.466 103 R N 0.987 121.454 120.500 -0.055 0.000 2.599 103 R HA 0.540 4.880 4.340 0.000 0.000 0.295 103 R C -1.010 175.269 176.300 -0.036 0.000 0.963 103 R CA -0.499 55.570 56.100 -0.051 0.000 0.883 103 R CB 1.675 31.953 30.300 -0.037 0.000 1.171 103 R HN 0.778 nan 8.270 nan 0.000 0.450 104 T N 5.722 120.255 114.554 -0.036 0.000 2.771 104 T HA 0.295 4.645 4.350 0.000 0.000 0.291 104 T C 0.538 175.226 174.700 -0.020 0.000 0.954 104 T CA -0.513 61.571 62.100 -0.026 0.000 1.045 104 T CB 0.394 69.246 68.868 -0.027 0.000 0.917 104 T HN 0.552 nan 8.240 nan 0.000 0.484 105 I N 0.238 120.799 120.570 -0.015 0.000 3.078 105 I HA 0.459 4.629 4.170 0.000 0.000 0.318 105 I C 1.796 177.906 176.117 -0.011 0.000 1.016 105 I CA -0.846 60.447 61.300 -0.011 0.000 1.130 105 I CB 0.758 38.754 38.000 -0.008 0.000 1.397 105 I HN 0.589 nan 8.210 nan 0.000 0.570 106 E N 1.116 121.311 120.200 -0.008 0.000 2.136 106 E HA -0.315 4.035 4.350 0.000 0.000 0.202 106 E C 1.080 177.675 176.600 -0.008 0.000 1.019 106 E CA 2.383 58.778 56.400 -0.008 0.000 0.819 106 E CB -0.113 29.584 29.700 -0.006 0.000 0.739 106 E HN 0.926 nan 8.360 nan 0.000 0.458 107 D N -1.874 118.521 120.400 -0.008 0.000 2.319 107 D HA 0.063 4.703 4.640 0.000 0.000 0.230 107 D C 1.157 177.452 176.300 -0.009 0.000 1.094 107 D CA 0.781 54.776 54.000 -0.008 0.000 0.856 107 D CB 0.331 41.127 40.800 -0.007 0.000 0.915 107 D HN 0.368 nan 8.370 nan 0.000 0.517 108 G N -0.765 108.029 108.800 -0.010 0.000 2.241 108 G HA2 -0.205 3.755 3.960 0.000 0.000 0.244 108 G HA3 -0.205 3.755 3.960 0.000 0.000 0.244 108 G C 0.763 175.656 174.900 -0.013 0.000 0.998 108 G CA 0.046 45.139 45.100 -0.012 0.000 0.621 108 G HN 0.809 nan 8.290 nan 0.000 0.519 109 G N 0.245 109.039 108.800 -0.012 0.000 2.690 109 G HA2 0.611 4.571 3.960 0.000 0.000 0.239 109 G HA3 0.611 4.571 3.960 0.000 0.000 0.239 109 G C 0.243 175.134 174.900 -0.014 0.000 1.233 109 G CA 0.788 45.881 45.100 -0.012 0.000 0.847 109 G HN 1.663 nan 8.290 nan 0.000 0.588 110 A N 0.500 123.311 122.820 -0.015 0.000 2.374 110 A HA 0.799 5.119 4.320 0.000 0.000 0.317 110 A C -0.225 177.350 177.584 -0.016 0.000 1.094 110 A CA -0.658 51.368 52.037 -0.018 0.000 0.765 110 A CB 1.400 20.387 19.000 -0.021 0.000 1.268 110 A HN 0.913 nan 8.150 nan 0.000 0.438 111 E N 1.399 121.588 120.200 -0.018 0.000 2.314 111 E HA 0.531 4.881 4.350 0.000 0.000 0.272 111 E C -0.701 175.882 176.600 -0.027 0.000 0.884 111 E CA -0.939 55.453 56.400 -0.013 0.000 0.753 111 E CB 1.674 31.373 29.700 -0.001 0.000 1.213 111 E HN 0.645 nan 8.360 nan 0.000 0.432 112 R N 2.019 122.496 120.500 -0.037 0.000 2.491 112 R HA 0.317 4.657 4.340 0.000 0.000 0.283 112 R C -0.307 175.920 176.300 -0.122 0.000 1.072 112 R CA -0.305 55.730 56.100 -0.108 0.000 1.048 112 R CB 0.770 30.993 30.300 -0.128 0.000 0.983 112 R HN 0.512 nan 8.270 nan 0.000 0.450 113 V N 1.656 121.467 119.914 -0.172 0.000 3.001 113 V HA 0.637 4.757 4.120 0.000 0.000 0.314 113 V C -1.356 174.633 176.094 -0.176 0.000 1.099 113 V CA -1.056 61.226 62.300 -0.030 0.000 0.989 113 V CB 1.673 33.591 31.823 0.158 0.000 1.040 113 V HN 0.723 nan 8.190 nan 0.000 0.434 114 Y N 0.453 120.809 120.300 0.093 0.000 2.536 114 Y HA 0.918 5.468 4.550 0.000 0.000 0.347 114 Y C 0.650 176.268 175.900 -0.470 0.000 1.000 114 Y CA -0.025 58.008 58.100 -0.111 0.000 1.051 114 Y CB 2.721 41.136 38.460 -0.074 0.000 1.259 114 Y HN 1.130 nan 8.280 nan 0.000 0.468 115 G N 1.112 109.541 108.800 -0.618 0.000 2.798 115 G HA2 0.682 4.642 3.960 0.000 0.000 0.286 115 G HA3 0.682 4.642 3.960 0.000 0.000 0.286 115 G C -1.917 172.810 174.900 -0.287 0.000 1.389 115 G CA -1.067 43.569 45.100 -0.772 0.000 0.894 115 G HN 0.516 nan 8.290 nan 0.000 0.488 116 L N 1.319 122.442 121.223 -0.167 0.000 2.325 116 L HA 0.475 4.816 4.340 0.000 0.000 0.279 116 L C 1.063 177.923 176.870 -0.016 0.000 1.054 116 L CA -0.705 54.123 54.840 -0.020 0.000 0.804 116 L CB 1.711 43.783 42.059 0.023 0.000 1.200 116 L HN 0.709 nan 8.230 nan 0.000 0.436 120 G N 2.004 110.855 108.800 0.084 0.000 2.450 120 G HA2 -0.297 3.663 3.960 0.000 0.000 0.220 120 G HA3 -0.297 3.663 3.960 0.000 0.000 0.220 120 G C 1.289 176.186 174.900 -0.006 0.000 1.130 120 G CA 1.575 46.684 45.100 0.015 0.000 0.760 120 G HN 0.747 nan 8.290 nan 0.000 0.557 121 K N -0.593 119.799 120.400 -0.013 0.000 2.280 121 K HA -0.094 4.226 4.320 0.000 0.000 0.202 121 K C 1.700 178.225 176.600 -0.125 0.000 1.047 121 K CA 1.056 57.287 56.287 -0.094 0.000 0.942 121 K CB -0.484 31.902 32.500 -0.189 0.000 0.739 121 K HN 0.388 nan 8.250 nan 0.000 0.457 122 Y N 1.224 121.519 120.300 -0.008 0.000 2.632 122 Y HA 0.079 4.629 4.550 0.000 0.000 0.301 122 Y C 1.306 177.216 175.900 0.017 0.000 1.172 122 Y CA 0.356 58.461 58.100 0.007 0.000 1.328 122 Y CB 0.132 38.572 38.460 -0.034 0.000 1.016 122 Y HN -0.015 nan 8.280 nan 0.000 0.529 123 L N -0.517 120.742 121.223 0.061 0.000 2.667 123 L HA 0.165 4.505 4.340 0.000 0.000 0.232 123 L C -0.278 176.761 176.870 0.282 0.000 1.138 123 L CA -0.129 54.709 54.840 -0.003 0.000 0.921 123 L CB 0.229 41.906 42.059 -0.637 0.000 1.180 123 L HN -0.150 nan 8.230 nan 0.000 0.487 124 V N 0.536 120.597 119.914 0.246 0.000 2.370 124 V HA 0.211 4.332 4.120 0.000 0.000 0.283 124 V C -1.382 174.666 176.094 -0.076 0.000 1.023 124 V CA -1.208 61.162 62.300 0.117 0.000 0.857 124 V CB 1.525 33.379 31.823 0.052 0.000 0.985 124 V HN -0.039 nan 8.190 nan 0.000 0.443 125 P HA -0.168 nan 4.420 nan 0.000 0.216 125 P C 0.733 177.813 177.300 -0.366 0.000 1.157 125 P CA 1.446 63.993 63.100 -0.922 0.000 0.880 125 P CB 0.222 31.524 31.700 -0.663 0.000 0.791 126 D N -1.648 118.636 120.400 -0.193 0.000 2.363 126 D HA -0.048 4.592 4.640 0.000 0.000 0.226 126 D C 0.513 176.777 176.300 -0.061 0.000 1.020 126 D CA 0.377 54.316 54.000 -0.101 0.000 0.892 126 D CB -0.680 40.077 40.800 -0.072 0.000 0.900 126 D HN 0.202 nan 8.370 nan 0.000 0.531 127 E N 0.567 120.736 120.200 -0.052 0.000 2.694 127 E HA -0.074 4.276 4.350 0.000 0.000 0.250 127 E C 1.004 177.584 176.600 -0.033 0.000 0.963 127 E CA -0.018 56.352 56.400 -0.050 0.000 0.949 127 E CB 0.487 30.150 29.700 -0.061 0.000 0.911 127 E HN 0.093 nan 8.360 nan 0.000 0.500 128 S N 5.138 120.811 115.700 -0.045 0.000 2.447 128 S HA -0.086 4.384 4.470 0.000 0.000 0.233 128 S C 1.493 176.088 174.600 -0.009 0.000 1.006 128 S CA 0.338 58.525 58.200 -0.022 0.000 0.957 128 S CB 0.016 63.202 63.200 -0.023 0.000 0.773 128 S HN 0.484 nan 8.310 nan 0.000 0.507 129 R N 1.775 122.248 120.500 -0.046 0.000 2.240 129 R HA 0.306 4.646 4.340 0.000 0.000 0.203 129 R C 1.107 177.497 176.300 0.150 0.000 1.011 129 R CA 0.806 56.914 56.100 0.013 0.000 1.007 129 R CB -0.425 29.796 30.300 -0.133 0.000 0.911 129 R HN 0.618 nan 8.270 nan 0.000 0.468 130 G N -0.093 108.781 108.800 0.124 0.000 2.335 130 G HA2 -0.094 3.866 3.960 0.000 0.000 0.592 130 G HA3 -0.094 3.866 3.960 0.000 0.000 0.592 130 G C -2.190 172.889 174.900 0.299 0.000 1.442 130 G CA -0.860 44.367 45.100 0.212 0.000 0.976 130 G HN 0.092 nan 8.290 nan 0.000 0.652 131 Y N 1.087 121.450 120.300 0.105 0.000 2.350 131 Y HA 0.744 5.294 4.550 0.000 0.000 0.338 131 Y C 0.515 176.464 175.900 0.082 0.000 0.961 131 Y CA -1.496 56.658 58.100 0.090 0.000 1.100 131 Y CB 1.441 39.934 38.460 0.054 0.000 1.179 131 Y HN 0.456 nan 8.280 nan 0.000 0.454 132 L N 4.885 125.932 121.223 -0.293 0.000 2.920 132 L HA 0.335 4.675 4.340 0.000 0.000 0.257 132 L C 1.863 178.473 176.870 -0.432 0.000 1.150 132 L CA 0.581 55.235 54.840 -0.309 0.000 0.959 132 L CB 0.217 42.186 42.059 -0.150 0.000 1.321 132 L HN 0.783 nan 8.230 nan 0.000 0.555 133 A N 0.823 123.171 122.820 -0.787 0.000 1.972 133 A HA -0.184 4.136 4.320 0.000 0.000 0.219 133 A C 2.427 179.841 177.584 -0.283 0.000 1.169 133 A CA 1.903 53.675 52.037 -0.442 0.000 0.635 133 A CB -0.451 18.425 19.000 -0.207 0.000 0.810 133 A HN 0.479 nan 8.150 nan 0.000 0.446 134 S N -1.356 114.085 115.700 -0.432 0.000 2.469 134 S HA -0.148 4.323 4.470 0.000 0.000 0.238 134 S C 1.593 176.249 174.600 0.093 0.000 0.998 134 S CA 1.265 59.439 58.200 -0.043 0.000 0.957 134 S CB -0.600 62.630 63.200 0.050 0.000 0.764 134 S HN 0.485 nan 8.310 nan 0.000 0.514 135 F N 2.920 122.816 119.950 -0.089 0.000 2.293 135 F HA 0.087 4.614 4.527 0.000 0.000 0.297 135 F C 2.348 178.195 175.800 0.078 0.000 1.089 135 F CA 1.084 59.100 58.000 0.027 0.000 1.377 135 F CB -0.855 38.127 39.000 -0.030 0.000 1.051 135 F HN 0.152 nan 8.300 nan 0.000 0.511 136 T N -0.687 113.853 114.554 -0.023 0.000 2.821 136 T HA -0.148 4.203 4.350 0.000 0.000 0.267 136 T C 1.893 176.551 174.700 -0.069 0.000 1.046 136 T CA 1.944 63.978 62.100 -0.111 0.000 1.139 136 T CB -0.504 68.311 68.868 -0.088 0.000 0.871 136 T HN 0.244 nan 8.240 nan 0.000 0.454 137 T N 2.083 116.647 114.554 0.018 0.000 2.746 137 T HA -0.077 4.273 4.350 0.000 0.000 0.267 137 T C 1.549 176.320 174.700 0.118 0.000 1.039 137 T CA 1.086 63.234 62.100 0.081 0.000 1.142 137 T CB -0.518 68.426 68.868 0.127 0.000 0.866 137 T HN 0.382 nan 8.240 nan 0.000 0.444 138 F N 2.088 122.010 119.950 -0.047 0.000 2.069 138 F HA -0.035 4.492 4.527 0.000 0.000 0.298 138 F C 1.931 177.720 175.800 -0.018 0.000 1.113 138 F CA 1.077 59.043 58.000 -0.057 0.000 1.214 138 F CB -0.727 38.191 39.000 -0.136 0.000 0.978 138 F HN 0.041 nan 8.300 nan 0.000 0.474 139 L N -0.555 120.432 121.223 -0.393 0.000 2.079 139 L HA -0.288 4.052 4.340 0.000 0.000 0.210 139 L C 2.351 179.230 176.870 0.014 0.000 1.081 139 L CA 1.326 55.987 54.840 -0.298 0.000 0.752 139 L CB -1.059 40.770 42.059 -0.383 0.000 0.896 139 L HN 0.258 nan 8.230 nan 0.000 0.433 140 C N -1.529 117.754 119.300 -0.028 0.000 2.576 140 C HA 0.004 4.464 4.460 0.000 0.000 0.267 140 C C 1.183 176.198 174.990 0.042 0.000 1.364 140 C CA -1.005 58.032 59.018 0.031 0.000 1.723 140 C CB -1.543 26.192 27.740 -0.009 0.000 1.778 140 C HN 0.264 nan 8.230 nan 0.000 0.572 141 Y N 2.697 122.938 120.300 -0.099 0.000 2.717 141 Y HA 0.090 4.640 4.550 0.000 0.000 0.330 141 Y C -1.171 174.670 175.900 -0.099 0.000 1.217 141 Y CA -1.344 56.700 58.100 -0.093 0.000 1.506 141 Y CB 0.471 38.854 38.460 -0.129 0.000 1.268 141 Y HN 0.173 nan 8.280 nan 0.000 0.561 142 P HA -0.343 nan 4.420 nan 0.000 0.217 142 P C 1.170 178.335 177.300 -0.224 0.000 1.162 142 P CA 3.181 66.069 63.100 -0.353 0.000 0.901 142 P CB 0.014 31.445 31.700 -0.448 0.000 0.793 143 A N -1.260 121.462 122.820 -0.163 0.000 1.978 143 A HA -0.177 4.143 4.320 0.000 0.000 0.220 143 A C 2.170 179.668 177.584 -0.142 0.000 1.170 143 A CA 1.543 53.564 52.037 -0.028 0.000 0.636 143 A CB -1.532 17.575 19.000 0.178 0.000 0.810 143 A HN 0.167 nan 8.150 nan 0.000 0.448 144 L N -0.848 120.249 121.223 -0.210 0.000 2.307 144 L HA -0.002 4.339 4.340 0.000 0.000 0.211 144 L C 2.234 178.622 176.870 -0.803 0.000 1.099 144 L CA -0.053 54.423 54.840 -0.607 0.000 0.816 144 L CB -0.299 41.346 42.059 -0.691 0.000 0.952 144 L HN 0.273 nan 8.230 nan 0.000 0.455 145 L N 0.037 121.070 121.223 -0.316 0.000 2.042 145 L HA -0.234 4.106 4.340 0.000 0.000 0.210 145 L C 2.634 179.453 176.870 -0.085 0.000 1.076 145 L CA 1.787 56.591 54.840 -0.060 0.000 0.749 145 L CB -0.923 41.144 42.059 0.013 0.000 0.893 145 L HN 0.422 nan 8.230 nan 0.000 0.432 146 Q N -0.969 118.748 119.800 -0.139 0.000 2.291 146 Q HA -0.082 4.258 4.340 0.000 0.000 0.205 146 Q C 2.271 178.202 176.000 -0.115 0.000 0.970 146 Q CA 0.756 56.504 55.803 -0.090 0.000 0.876 146 Q CB 0.008 28.694 28.738 -0.086 0.000 0.935 146 Q HN 0.382 nan 8.270 nan 0.000 0.455 147 V N -0.614 119.138 119.914 -0.271 0.000 2.407 147 V HA -0.144 3.976 4.120 0.000 0.000 0.245 147 V C 1.207 177.246 176.094 -0.090 0.000 1.041 147 V CA 0.718 62.846 62.300 -0.287 0.000 1.040 147 V CB -0.380 31.115 31.823 -0.546 0.000 0.671 147 V HN 0.305 nan 8.190 nan 0.000 0.455 151 F N 3.430 123.427 119.950 0.078 0.000 2.111 151 F HA -0.289 4.238 4.527 0.000 0.000 0.300 151 F C 2.357 178.190 175.800 0.056 0.000 1.088 151 F CA 2.424 60.479 58.000 0.091 0.000 1.243 151 F CB 0.189 39.257 39.000 0.113 0.000 0.996 151 F HN 0.114 nan 8.300 nan 0.000 0.483 152 K N -0.480 120.040 120.400 0.201 0.000 2.286 152 K HA -0.216 4.105 4.320 0.000 0.000 0.203 152 K C 1.608 178.203 176.600 -0.009 0.000 1.045 152 K CA 1.689 58.036 56.287 0.101 0.000 0.935 152 K CB -0.487 32.075 32.500 0.104 0.000 0.737 152 K HN 0.245 nan 8.250 nan 0.000 0.460 153 E N 1.591 121.771 120.200 -0.033 0.000 2.031 153 E HA -0.158 4.192 4.350 0.000 0.000 0.193 153 E C 2.311 178.853 176.600 -0.096 0.000 0.994 153 E CA 1.652 58.020 56.400 -0.053 0.000 0.800 153 E CB -0.638 29.034 29.700 -0.047 0.000 0.752 153 E HN 0.508 nan 8.360 nan 0.000 0.447 154 A N 1.134 123.852 122.820 -0.171 0.000 2.024 154 A HA -0.125 4.195 4.320 0.000 0.000 0.220 154 A C 2.589 180.070 177.584 -0.171 0.000 1.164 154 A CA 1.372 53.293 52.037 -0.193 0.000 0.643 154 A CB -0.522 18.302 19.000 -0.293 0.000 0.806 154 A HN 0.133 nan 8.150 nan 0.000 0.451 155 V N -0.006 119.803 119.914 -0.176 0.000 2.283 155 V HA -0.190 3.931 4.120 0.000 0.000 0.243 155 V C 2.657 178.727 176.094 -0.041 0.000 1.039 155 V CA 1.926 64.171 62.300 -0.091 0.000 1.016 155 V CB -0.596 31.209 31.823 -0.030 0.000 0.650 155 V HN 0.581 nan 8.190 nan 0.000 0.449 156 V N -2.240 117.655 119.914 -0.031 0.000 3.041 156 V HA 0.049 4.169 4.120 0.000 0.000 0.260 156 V C 0.349 176.431 176.094 -0.021 0.000 1.105 156 V CA 0.952 63.242 62.300 -0.015 0.000 1.125 156 V CB -0.566 31.253 31.823 -0.006 0.000 0.730 156 V HN 0.461 nan 8.190 nan 0.000 0.479 157 D N 1.163 121.543 120.400 -0.033 0.000 2.344 157 D HA 0.236 4.876 4.640 0.000 0.000 0.239 157 D C 0.211 176.492 176.300 -0.033 0.000 1.064 157 D CA -0.167 53.815 54.000 -0.030 0.000 0.829 157 D CB 2.032 42.813 40.800 -0.032 0.000 1.129 157 D HN 0.449 nan 8.370 nan 0.000 0.506 158 E N 1.748 121.934 120.200 -0.023 0.000 2.405 158 E HA -0.081 4.269 4.350 0.000 0.000 0.194 158 E C 0.326 176.913 176.600 -0.022 0.000 1.149 158 E CA -0.189 56.199 56.400 -0.021 0.000 0.933 158 E CB 0.230 29.922 29.700 -0.014 0.000 1.028 158 E HN 0.346 nan 8.360 nan 0.000 0.487 183 Q N 1.614 121.460 119.800 0.077 0.000 2.119 183 Q HA 0.005 4.345 4.340 0.000 0.000 0.201 183 Q C 1.948 177.984 176.000 0.061 0.000 0.972 183 Q CA 1.139 56.977 55.803 0.058 0.000 0.847 183 Q CB 0.018 28.777 28.738 0.035 0.000 0.903 183 Q HN 0.575 nan 8.270 nan 0.000 0.433 184 I N 0.272 120.888 120.570 0.077 0.000 2.315 184 I HA -0.226 3.944 4.170 0.000 0.000 0.248 184 I C 2.252 178.429 176.117 0.100 0.000 1.117 184 I CA 0.830 62.174 61.300 0.073 0.000 1.404 184 I CB -0.369 37.675 38.000 0.073 0.000 1.071 184 I HN 0.158 nan 8.210 nan 0.000 0.419 185 F N 2.522 122.474 119.950 0.003 0.000 2.084 185 F HA -0.209 4.318 4.527 -0.000 0.000 0.296 185 F C 2.356 178.162 175.800 0.009 0.000 1.111 185 F CA 1.693 59.696 58.000 0.005 0.000 1.224 185 F CB -0.531 38.469 39.000 0.000 0.000 0.991 185 F HN 0.066 nan 8.300 nan 0.000 0.471 186 N N 0.760 119.425 118.700 -0.059 0.000 2.223 186 N HA -0.198 4.542 4.740 0.000 0.000 0.185 186 N C 1.893 177.310 175.510 -0.155 0.000 1.016 186 N CA 1.243 54.198 53.050 -0.158 0.000 0.863 186 N CB -0.487 38.000 38.487 -0.000 0.000 0.983 186 N HN 0.416 nan 8.380 nan 0.000 0.429 187 K N 1.262 121.610 120.400 -0.086 0.000 2.031 187 K HA -0.039 4.281 4.320 0.000 0.000 0.205 187 K C 1.021 177.565 176.600 -0.092 0.000 1.049 187 K CA 0.550 56.798 56.287 -0.064 0.000 0.939 187 K CB 0.019 32.505 32.500 -0.024 0.000 0.717 187 K HN 0.253 nan 8.250 nan 0.000 0.438 191 D N 1.013 121.388 120.400 -0.042 0.000 2.097 191 D HA -0.096 4.544 4.640 0.000 0.000 0.197 191 D C 2.015 178.310 176.300 -0.009 0.000 0.984 191 D CA 1.914 55.901 54.000 -0.022 0.000 0.826 191 D CB -0.023 40.761 40.800 -0.026 0.000 0.973 191 D HN 0.334 nan 8.370 nan 0.000 0.460 192 V N 0.739 120.645 119.914 -0.013 0.000 2.407 192 V HA -0.255 3.865 4.120 0.000 0.000 0.248 192 V C 2.745 178.869 176.094 0.049 0.000 1.055 192 V CA 1.137 63.447 62.300 0.016 0.000 1.049 192 V CB -0.477 31.360 31.823 0.022 0.000 0.662 192 V HN 0.286 nan 8.190 nan 0.000 0.455 193 C N 0.020 119.338 119.300 0.029 0.000 2.429 193 C HA -0.109 4.351 4.460 0.000 0.000 0.277 193 C C 3.087 178.106 174.990 0.048 0.000 1.262 193 C CA 0.950 59.992 59.018 0.039 0.000 1.733 193 C CB -1.179 26.570 27.740 0.015 0.000 2.010 193 C HN 0.637 nan 8.230 nan 0.000 0.483 194 A N -0.530 122.310 122.820 0.035 0.000 1.933 194 A HA -0.160 4.160 4.320 0.000 0.000 0.218 194 A C 2.178 179.802 177.584 0.067 0.000 1.175 194 A CA 2.476 54.537 52.037 0.040 0.000 0.628 194 A CB -0.970 18.044 19.000 0.023 0.000 0.814 194 A HN 0.595 nan 8.150 nan 0.000 0.444 195 T N 0.368 114.966 114.554 0.074 0.000 2.737 195 T HA -0.054 4.296 4.350 0.000 0.000 0.265 195 T C 0.969 175.816 174.700 0.244 0.000 1.038 195 T CA 1.174 63.340 62.100 0.110 0.000 1.144 195 T CB -0.226 68.664 68.868 0.037 0.000 0.866 195 T HN 0.659 nan 8.240 nan 0.000 0.434 202 E N 1.345 121.595 120.200 0.084 0.000 2.216 202 E HA -0.019 4.331 4.350 0.000 0.000 0.192 202 E C 1.871 178.498 176.600 0.044 0.000 0.988 202 E CA 1.686 58.117 56.400 0.053 0.000 0.834 202 E CB 0.433 30.151 29.700 0.029 0.000 0.772 202 E HN 0.689 nan 8.360 nan 0.000 0.479 203 I N -2.903 117.691 120.570 0.040 0.000 4.032 203 I HA 0.148 4.318 4.170 0.000 0.000 0.313 203 I C 0.480 176.634 176.117 0.061 0.000 1.272 203 I CA -0.432 60.882 61.300 0.024 0.000 1.307 203 I CB 0.291 38.276 38.000 -0.024 0.000 1.155 203 I HN -0.172 nan 8.210 nan 0.000 0.431 204 Y N 3.727 123.983 120.300 -0.073 0.000 2.336 204 Y HA 0.328 4.877 4.550 -0.002 0.000 0.335 204 Y C 1.333 177.173 175.900 -0.100 0.000 1.046 204 Y CA -0.287 57.725 58.100 -0.146 0.000 1.198 204 Y CB 1.124 39.425 38.460 -0.266 0.000 1.182 204 Y HN 0.189 nan 8.280 nan 0.000 0.502 205 T N -0.045 114.137 114.554 -0.620 0.000 3.054 205 T HA 0.171 4.521 4.350 0.000 0.000 0.255 205 T C 1.595 175.810 174.700 -0.808 0.000 1.035 205 T CA 0.319 62.120 62.100 -0.498 0.000 0.941 205 T CB -0.056 68.668 68.868 -0.241 0.000 1.026 205 T HN 0.750 nan 8.240 nan 0.000 0.533 206 G N 0.228 107.958 108.800 -1.782 0.000 2.708 206 G HA2 0.103 4.063 3.960 0.000 0.000 0.210 206 G HA3 0.103 4.063 3.960 0.000 0.000 0.210 206 G C 0.808 175.244 174.900 -0.773 0.000 1.141 206 G CA -0.029 44.318 45.100 -1.256 0.000 0.788 206 G HN 0.574 nan 8.290 nan 0.000 0.531 207 F N 0.178 119.723 119.950 -0.675 0.000 2.317 207 F HA 0.161 4.686 4.527 -0.003 0.000 0.293 207 F C 1.398 176.831 175.800 -0.612 0.000 1.085 207 F CA -0.222 57.386 58.000 -0.653 0.000 1.390 207 F CB 0.281 38.605 39.000 -1.126 0.000 1.077 207 F HN -0.020 nan 8.300 nan 0.000 0.517 208 E N 0.678 120.704 120.200 -0.290 0.000 2.452 208 E HA 0.066 4.417 4.350 0.000 0.000 0.261 208 E C 1.077 177.640 176.600 -0.061 0.000 0.987 208 E CA 1.100 57.455 56.400 -0.075 0.000 0.926 208 E CB 0.568 30.287 29.700 0.031 0.000 0.934 208 E HN 0.483 nan 8.360 nan 0.000 0.452 209 G N 2.913 111.704 108.800 -0.015 0.000 2.175 209 G HA2 -0.269 3.692 3.960 0.000 0.000 0.244 209 G HA3 -0.269 3.692 3.960 0.000 0.000 0.244 209 G C 0.349 175.244 174.900 -0.009 0.000 0.982 209 G CA 0.002 45.096 45.100 -0.009 0.000 0.641 209 G HN 0.465 nan 8.290 nan 0.000 0.527 210 I N 1.356 121.915 120.570 -0.018 0.000 2.396 210 I HA 0.435 4.605 4.170 0.000 0.000 0.292 210 I C 1.547 177.660 176.117 -0.007 0.000 0.999 210 I CA 0.282 61.577 61.300 -0.008 0.000 1.310 210 I CB 1.668 39.669 38.000 0.002 0.000 1.404 210 I HN 0.128 nan 8.210 nan 0.000 0.496 211 S N 3.338 119.036 115.700 -0.004 0.000 2.398 211 S HA -0.014 4.456 4.470 0.000 0.000 0.220 211 S C 0.828 175.421 174.600 -0.012 0.000 1.046 211 S CA 0.765 58.962 58.200 -0.005 0.000 0.953 211 S CB 0.286 63.483 63.200 -0.004 0.000 0.856 211 S HN 0.742 nan 8.310 nan 0.000 0.506 212 T N 1.556 116.102 114.554 -0.014 0.000 2.890 212 T HA 0.570 4.921 4.350 0.000 0.000 0.295 212 T C -1.510 173.178 174.700 -0.020 0.000 0.993 212 T CA -0.685 61.403 62.100 -0.020 0.000 0.979 212 T CB 1.061 69.916 68.868 -0.022 0.000 0.967 212 T HN 0.241 nan 8.240 nan 0.000 0.441 213 L N 6.514 127.721 121.223 -0.026 0.000 2.282 213 L HA 0.762 5.102 4.340 0.000 0.000 0.288 213 L C -0.954 175.903 176.870 -0.020 0.000 1.033 213 L CA -0.392 54.437 54.840 -0.018 0.000 0.807 213 L CB 1.472 43.510 42.059 -0.034 0.000 1.209 213 L HN 0.512 nan 8.230 nan 0.000 0.423 214 V N 4.498 124.404 119.914 -0.013 0.000 2.347 214 V HA 0.317 4.437 4.120 0.000 0.000 0.280 214 V C -0.446 175.657 176.094 0.014 0.000 1.021 214 V CA -0.660 61.635 62.300 -0.009 0.000 0.847 214 V CB 1.303 33.102 31.823 -0.041 0.000 0.990 214 V HN 0.670 nan 8.190 nan 0.000 0.444 215 D N 4.455 124.878 120.400 0.039 0.000 2.441 215 D HA 0.209 4.850 4.640 0.000 0.000 0.221 215 D C -0.248 176.111 176.300 0.099 0.000 1.156 215 D CA -0.106 53.923 54.000 0.048 0.000 0.896 215 D CB 1.491 42.313 40.800 0.037 0.000 1.028 215 D HN 0.284 nan 8.370 nan 0.000 0.509 216 V N 3.386 123.350 119.914 0.083 0.000 2.415 216 V HA 0.377 4.497 4.120 0.000 0.000 0.267 216 V C 1.477 177.594 176.094 0.037 0.000 1.042 216 V CA 0.260 62.639 62.300 0.133 0.000 1.000 216 V CB 0.662 32.516 31.823 0.053 0.000 1.015 216 V HN 0.834 nan 8.190 nan 0.000 0.478 217 G N 4.296 113.109 108.800 0.021 0.000 2.212 217 G HA2 -0.172 3.789 3.960 0.000 0.000 0.255 217 G HA3 -0.172 3.789 3.960 0.000 0.000 0.255 217 G C 0.760 175.657 174.900 -0.004 0.000 1.062 217 G CA -0.001 45.069 45.100 -0.049 0.000 0.815 217 G HN 1.289 nan 8.290 nan 0.000 0.497 218 G N -0.411 108.401 108.800 0.020 0.000 3.061 218 G HA2 0.502 4.462 3.960 0.000 0.000 0.208 218 G HA3 0.502 4.462 3.960 0.000 0.000 0.208 218 G C 1.783 176.703 174.900 0.034 0.000 1.175 218 G CA 1.415 46.537 45.100 0.036 0.000 0.812 218 G HN 1.975 nan 8.290 nan 0.000 0.523 219 G N 0.731 109.538 108.800 0.011 0.000 2.660 219 G HA2 -0.393 3.568 3.960 0.000 0.000 0.321 219 G HA3 -0.393 3.568 3.960 0.000 0.000 0.321 219 G C 1.838 176.744 174.900 0.010 0.000 1.246 219 G CA 1.904 47.007 45.100 0.006 0.000 1.000 219 G HN 1.333 nan 8.290 nan 0.000 0.550 220 S N 0.677 116.386 115.700 0.014 0.000 2.522 220 S HA 0.359 4.829 4.470 0.000 0.000 0.227 220 S C 2.342 177.008 174.600 0.110 0.000 0.986 220 S CA 1.418 59.626 58.200 0.014 0.000 0.929 220 S CB 0.102 63.305 63.200 0.005 0.000 0.769 220 S HN 2.829 nan 8.310 nan 0.000 0.529 221 G N 1.134 110.005 108.800 0.118 0.000 2.157 221 G HA2 -0.274 3.686 3.960 0.000 0.000 0.248 221 G HA3 -0.274 3.686 3.960 0.000 0.000 0.248 221 G C 0.883 175.825 174.900 0.071 0.000 0.979 221 G CA 0.282 45.465 45.100 0.138 0.000 0.650 221 G HN 0.424 nan 8.290 nan 0.000 0.529 222 R N 0.720 121.251 120.500 0.051 0.000 2.115 222 R HA 0.089 4.429 4.340 0.000 0.000 0.230 222 R C 2.398 178.707 176.300 0.014 0.000 1.111 222 R CA 1.549 57.666 56.100 0.028 0.000 0.976 222 R CB -0.495 29.817 30.300 0.020 0.000 0.870 222 R HN 0.511 nan 8.270 nan 0.000 0.445 223 N N 0.175 118.884 118.700 0.015 0.000 2.142 223 N HA -0.117 4.623 4.740 0.000 0.000 0.186 223 N C 1.703 177.205 175.510 -0.013 0.000 1.023 223 N CA 0.856 53.911 53.050 0.008 0.000 0.852 223 N CB -0.229 38.266 38.487 0.015 0.000 0.998 223 N HN 0.185 nan 8.380 nan 0.000 0.424 224 L N 1.422 122.636 121.223 -0.016 0.000 2.042 224 L HA -0.183 4.157 4.340 0.000 0.000 0.210 224 L C 2.429 179.264 176.870 -0.058 0.000 1.076 224 L CA 1.371 56.182 54.840 -0.049 0.000 0.749 224 L CB -0.307 41.729 42.059 -0.039 0.000 0.893 224 L HN 0.297 nan 8.230 nan 0.000 0.432 225 E N 0.196 120.377 120.200 -0.032 0.000 2.097 225 E HA -0.274 4.076 4.350 0.000 0.000 0.196 225 E C 2.314 178.894 176.600 -0.034 0.000 1.000 225 E CA 1.398 57.780 56.400 -0.029 0.000 0.804 225 E CB -0.113 29.581 29.700 -0.009 0.000 0.740 225 E HN 0.508 nan 8.360 nan 0.000 0.454 226 L N 0.476 121.683 121.223 -0.026 0.000 2.046 226 L HA -0.193 4.147 4.340 0.000 0.000 0.208 226 L C 2.565 179.413 176.870 -0.037 0.000 1.077 226 L CA 0.986 55.813 54.840 -0.021 0.000 0.747 226 L CB -0.325 41.733 42.059 -0.001 0.000 0.896 226 L HN 0.275 nan 8.230 nan 0.000 0.432 227 I N -0.311 120.210 120.570 -0.082 0.000 2.202 227 I HA -0.289 3.881 4.170 0.000 0.000 0.242 227 I C 2.351 178.422 176.117 -0.077 0.000 1.091 227 I CA 1.408 62.608 61.300 -0.166 0.000 1.368 227 I CB -0.156 37.576 38.000 -0.448 0.000 1.058 227 I HN 0.163 nan 8.210 nan 0.000 0.410 228 I N -0.101 120.418 120.570 -0.084 0.000 2.614 228 I HA -0.183 3.987 4.170 0.000 0.000 0.258 228 I C 1.510 177.608 176.117 -0.032 0.000 1.189 228 I CA 0.644 61.919 61.300 -0.043 0.000 1.462 228 I CB -0.121 37.846 38.000 -0.055 0.000 1.092 228 I HN 0.103 nan 8.210 nan 0.000 0.442 229 S N 1.353 117.026 115.700 -0.046 0.000 3.363 229 S HA 0.208 4.679 4.470 0.000 0.000 0.267 229 S C 0.565 175.108 174.600 -0.096 0.000 1.288 229 S CA -0.128 58.037 58.200 -0.058 0.000 0.948 229 S CB -0.339 62.835 63.200 -0.043 0.000 1.397 229 S HN 0.442 nan 8.310 nan 0.000 0.493 230 K N 3.072 123.374 120.400 -0.162 0.000 0.939 230 K HA -0.068 4.252 4.320 0.000 0.000 0.060 230 K C -1.230 174.997 176.600 -0.621 0.000 2.419 230 K CA 0.075 56.141 56.287 -0.369 0.000 0.962 230 K CB -0.396 31.872 32.500 -0.386 0.000 2.699 230 K HN 0.545 nan 8.250 nan 0.000 0.315 231 Y N 1.897 122.151 120.300 -0.076 0.000 2.470 231 Y HA 0.310 4.862 4.550 0.004 0.000 0.352 231 Y C -2.083 173.774 175.900 -0.072 0.000 0.967 231 Y CA -1.533 56.525 58.100 -0.071 0.000 1.121 231 Y CB 1.447 39.846 38.460 -0.102 0.000 1.149 231 Y HN 0.005 nan 8.280 nan 0.000 0.641 232 P HA -0.147 nan 4.420 nan 0.000 0.229 232 P C 0.940 178.249 177.300 0.016 0.000 1.150 232 P CA 1.253 64.355 63.100 0.004 0.000 0.765 232 P CB 0.499 32.187 31.700 -0.019 0.000 0.783 233 L N -1.138 120.110 121.223 0.042 0.000 2.558 233 L HA 0.157 4.497 4.340 0.000 0.000 0.225 233 L C 1.387 178.270 176.870 0.022 0.000 1.128 233 L CA -0.052 54.806 54.840 0.031 0.000 0.868 233 L CB -0.180 41.905 42.059 0.042 0.000 1.006 233 L HN -0.120 nan 8.230 nan 0.000 0.454 234 I N 0.787 121.371 120.570 0.023 0.000 2.371 234 I HA 0.072 4.242 4.170 0.000 0.000 0.290 234 I C 0.351 176.454 176.117 -0.023 0.000 1.028 234 I CA -0.116 61.179 61.300 -0.008 0.000 1.345 234 I CB 0.804 38.782 38.000 -0.037 0.000 1.407 234 I HN -0.013 nan 8.210 nan 0.000 0.501 235 K N 5.158 125.543 120.400 -0.025 0.000 2.276 235 K HA 0.393 4.713 4.320 0.000 0.000 0.285 235 K C 0.155 176.731 176.600 -0.041 0.000 1.062 235 K CA -0.294 55.975 56.287 -0.031 0.000 0.918 235 K CB 1.489 33.974 32.500 -0.024 0.000 1.055 235 K HN 0.823 nan 8.250 nan 0.000 0.477 236 G N 3.087 111.855 108.800 -0.053 0.000 2.371 236 G HA2 0.580 4.540 3.960 0.000 0.000 0.326 236 G HA3 0.580 4.540 3.960 0.000 0.000 0.326 236 G C -0.537 174.325 174.900 -0.062 0.000 1.127 236 G CA -0.654 44.410 45.100 -0.060 0.000 0.885 236 G HN 0.522 nan 8.290 nan 0.000 0.477 237 I N 1.657 122.202 120.570 -0.041 0.000 2.439 237 I HA 0.164 4.335 4.170 0.000 0.000 0.285 237 I C -0.728 175.403 176.117 0.023 0.000 1.021 237 I CA -0.876 60.413 61.300 -0.019 0.000 1.091 237 I CB 2.080 40.077 38.000 -0.005 0.000 1.242 237 I HN 0.389 nan 8.210 nan 0.000 0.439 238 N N 6.544 125.256 118.700 0.020 0.000 2.426 238 N HA 0.295 5.035 4.740 0.000 0.000 0.257 238 N C -1.426 174.214 175.510 0.216 0.000 1.002 238 N CA -0.089 53.023 53.050 0.103 0.000 0.942 238 N CB 0.644 39.199 38.487 0.113 0.000 1.112 238 N HN 0.347 nan 8.380 nan 0.000 0.499 239 F N 3.531 123.498 119.950 0.028 0.000 2.449 239 F HA 0.543 5.074 4.527 0.007 0.000 0.342 239 F C -0.470 175.334 175.800 0.006 0.000 1.127 239 F CA -0.551 57.459 58.000 0.017 0.000 0.975 239 F CB 0.948 39.941 39.000 -0.011 0.000 1.146 239 F HN 0.432 nan 8.300 nan 0.000 0.444 240 D N 3.974 124.012 120.400 -0.604 0.000 2.768 240 D HA 0.312 4.952 4.640 0.000 0.000 0.327 240 D C -1.051 174.932 176.300 -0.527 0.000 1.302 240 D CA -0.456 53.232 54.000 -0.520 0.000 0.897 240 D CB 1.987 42.667 40.800 -0.200 0.000 1.420 240 D HN 0.492 nan 8.370 nan 0.000 0.494 241 L N 2.252 123.289 121.223 -0.310 0.000 2.514 241 L HA 0.100 4.441 4.340 0.000 0.000 0.280 241 L C -0.949 175.838 176.870 -0.138 0.000 1.223 241 L CA -0.944 53.781 54.840 -0.193 0.000 0.864 241 L CB 0.284 42.291 42.059 -0.087 0.000 1.118 241 L HN 0.361 nan 8.230 nan 0.000 0.494 242 P HA -0.251 nan 4.420 nan 0.000 0.216 242 P C 1.041 178.313 177.300 -0.046 0.000 1.150 242 P CA 1.403 64.471 63.100 -0.054 0.000 0.843 242 P CB -0.028 31.659 31.700 -0.021 0.000 0.787 243 Q N -0.343 119.434 119.800 -0.038 0.000 2.291 243 Q HA -0.047 4.293 4.340 0.000 0.000 0.205 243 Q C 1.970 177.946 176.000 -0.040 0.000 0.970 243 Q CA 1.283 57.068 55.803 -0.030 0.000 0.876 243 Q CB -1.345 27.383 28.738 -0.016 0.000 0.935 243 Q HN 0.167 nan 8.270 nan 0.000 0.455 244 V N 1.189 121.069 119.914 -0.056 0.000 2.426 244 V HA -0.140 3.980 4.120 0.000 0.000 0.242 244 V C 2.436 178.475 176.094 -0.092 0.000 1.036 244 V CA 0.679 62.941 62.300 -0.063 0.000 1.044 244 V CB -0.303 31.480 31.823 -0.065 0.000 0.688 244 V HN 0.215 nan 8.190 nan 0.000 0.462 245 I N 1.484 121.992 120.570 -0.104 0.000 2.335 245 I HA -0.189 3.982 4.170 0.000 0.000 0.251 245 I C 1.715 177.747 176.117 -0.143 0.000 1.129 245 I CA 1.307 62.527 61.300 -0.133 0.000 1.402 245 I CB -1.033 36.924 38.000 -0.072 0.000 1.069 245 I HN 0.625 nan 8.210 nan 0.000 0.424 246 E N 1.663 121.811 120.200 -0.087 0.000 2.110 246 E HA 0.096 4.446 4.350 0.000 0.000 0.300 246 E C 0.057 176.615 176.600 -0.069 0.000 1.278 246 E CA 0.075 56.434 56.400 -0.069 0.000 1.365 246 E CB -0.082 29.595 29.700 -0.038 0.000 1.283 246 E HN 0.314 nan 8.360 nan 0.000 0.490 247 N N 0.520 119.161 118.700 -0.099 0.000 2.032 247 N HA -0.002 4.738 4.740 0.000 0.000 0.240 247 N C -0.826 174.615 175.510 -0.115 0.000 1.470 247 N CA 0.348 53.350 53.050 -0.080 0.000 1.093 247 N CB 0.251 38.704 38.487 -0.056 0.000 1.157 247 N HN 0.383 nan 8.380 nan 0.000 0.691 248 A N 2.683 125.378 122.820 -0.210 0.000 2.409 248 A HA 0.520 4.840 4.320 0.000 0.000 0.262 248 A C -1.989 175.450 177.584 -0.242 0.000 1.113 248 A CA -0.617 51.222 52.037 -0.330 0.000 0.790 248 A CB -0.012 18.508 19.000 -0.800 0.000 1.046 248 A HN -0.043 nan 8.150 nan 0.000 0.496 249 P HA 0.281 nan 4.420 nan 0.000 0.277 249 P C -2.838 174.532 177.300 0.118 0.000 1.240 249 P CA -1.420 61.683 63.100 0.005 0.000 0.798 249 P CB 0.435 32.148 31.700 0.022 0.000 0.979 250 P HA 0.226 nan 4.420 nan 0.000 0.271 250 P C -0.831 176.533 177.300 0.107 0.000 1.220 250 P CA 0.278 63.463 63.100 0.141 0.000 0.768 250 P CB 0.669 32.415 31.700 0.076 0.000 0.848 251 L N 2.176 123.449 121.223 0.083 0.000 2.410 251 L HA 0.315 4.655 4.340 0.000 0.000 0.270 251 L C 0.673 177.531 176.870 -0.021 0.000 0.983 251 L CA -0.913 53.941 54.840 0.023 0.000 0.822 251 L CB 2.015 44.084 42.059 0.017 0.000 1.285 251 L HN 0.336 nan 8.230 nan 0.000 0.409 252 S N 0.800 116.491 115.700 -0.015 0.000 2.537 252 S HA 0.387 4.857 4.470 0.000 0.000 0.286 252 S C 1.177 175.755 174.600 -0.038 0.000 1.299 252 S CA 0.216 58.402 58.200 -0.022 0.000 1.067 252 S CB 1.022 64.214 63.200 -0.015 0.000 0.864 252 S HN 1.168 nan 8.310 nan 0.000 0.494 253 G N 2.220 110.996 108.800 -0.040 0.000 2.184 253 G HA2 -0.231 3.729 3.960 0.000 0.000 0.264 253 G HA3 -0.231 3.729 3.960 0.000 0.000 0.264 253 G C -0.081 174.777 174.900 -0.070 0.000 0.975 253 G CA 0.337 45.409 45.100 -0.046 0.000 0.642 253 G HN 0.845 nan 8.290 nan 0.000 0.536 254 I N 0.289 120.797 120.570 -0.102 0.000 2.498 254 I HA 0.433 4.603 4.170 0.000 0.000 0.290 254 I C -0.152 175.827 176.117 -0.229 0.000 1.032 254 I CA -0.762 60.435 61.300 -0.171 0.000 1.073 254 I CB 2.135 39.998 38.000 -0.228 0.000 1.251 254 I HN 0.126 nan 8.210 nan 0.000 0.426 255 E N 5.693 125.776 120.200 -0.194 0.000 2.133 255 E HA 0.277 4.627 4.350 0.000 0.000 0.274 255 E C -1.045 175.465 176.600 -0.150 0.000 0.930 255 E CA -0.702 55.616 56.400 -0.137 0.000 0.770 255 E CB 0.837 30.509 29.700 -0.047 0.000 1.104 255 E HN 0.496 nan 8.360 nan 0.000 0.403 256 H N 2.893 121.983 119.070 0.033 0.000 2.620 256 H HA 0.265 4.821 4.556 0.001 0.000 0.313 256 H C -0.589 174.777 175.328 0.063 0.000 1.075 256 H CA -0.248 55.825 56.048 0.042 0.000 1.397 256 H CB 1.289 31.064 29.762 0.021 0.000 1.446 256 H HN 0.184 nan 8.280 nan 0.000 0.493 257 V N 3.164 123.215 119.914 0.229 0.000 2.483 257 V HA 0.354 4.475 4.120 0.000 0.000 0.297 257 V C 0.706 176.929 176.094 0.216 0.000 1.027 257 V CA -0.952 61.490 62.300 0.237 0.000 0.855 257 V CB 1.865 33.868 31.823 0.299 0.000 0.995 257 V HN 0.917 nan 8.190 nan 0.000 0.424 258 G N 2.332 111.203 108.800 0.118 0.000 2.377 258 G HA2 0.759 4.719 3.960 0.000 0.000 0.299 258 G HA3 0.759 4.719 3.960 0.000 0.000 0.299 258 G C 0.086 175.018 174.900 0.053 0.000 1.150 258 G CA 0.282 45.376 45.100 -0.009 0.000 0.847 258 G HN 1.252 nan 8.290 nan 0.000 0.501 259 G N 0.439 109.161 108.800 -0.131 0.000 2.348 259 G HA2 0.456 4.416 3.960 0.000 0.000 0.296 259 G HA3 0.456 4.416 3.960 0.000 0.000 0.296 259 G C -1.826 173.029 174.900 -0.075 0.000 1.258 259 G CA 0.037 45.179 45.100 0.070 0.000 0.868 259 G HN 0.862 nan 8.290 nan 0.000 0.488 263 A N 0.199 123.156 122.820 0.228 0.000 1.887 263 A HA 0.569 4.889 4.320 0.000 0.000 0.210 263 A C 0.843 178.495 177.584 0.113 0.000 1.221 263 A CA 1.249 53.380 52.037 0.158 0.000 0.635 263 A CB -0.135 18.953 19.000 0.145 0.000 0.881 263 A HN 0.404 nan 8.150 nan 0.000 0.456 264 S N -2.106 113.655 115.700 0.102 0.000 2.597 264 S HA 0.503 4.973 4.470 0.000 0.000 0.274 264 S C -1.003 173.549 174.600 -0.081 0.000 1.132 264 S CA -0.164 58.051 58.200 0.025 0.000 0.835 264 S CB 0.868 64.073 63.200 0.009 0.000 1.092 264 S HN 1.600 nan 8.310 nan 0.000 0.457 265 V N -1.756 118.033 119.914 -0.209 0.000 2.864 265 V HA 0.883 5.003 4.120 0.000 0.000 0.314 265 V C -3.093 172.722 176.094 -0.465 0.000 1.073 265 V CA -2.510 59.462 62.300 -0.547 0.000 0.956 265 V CB 0.716 32.334 31.823 -0.342 0.000 1.023 265 V HN 0.805 nan 8.190 nan 0.000 0.435 266 P HA 0.210 nan 4.420 nan 0.000 0.267 266 P C -0.543 176.642 177.300 -0.191 0.000 1.200 266 P CA 0.101 63.004 63.100 -0.327 0.000 0.772 266 P CB 0.276 31.794 31.700 -0.303 0.000 0.855 267 Q N 0.673 120.403 119.800 -0.118 0.000 2.354 267 Q HA 0.582 4.922 4.340 0.000 0.000 0.244 267 Q C 0.390 176.353 176.000 -0.061 0.000 0.969 267 Q CA 0.026 55.783 55.803 -0.077 0.000 0.885 267 Q CB 0.946 29.652 28.738 -0.054 0.000 1.241 267 Q HN 0.689 nan 8.270 nan 0.000 0.461 268 G N 0.417 109.190 108.800 -0.046 0.000 2.356 268 G HA2 0.051 4.011 3.960 0.000 0.000 0.294 268 G HA3 0.051 4.011 3.960 0.000 0.000 0.294 268 G C -0.890 173.996 174.900 -0.023 0.000 1.423 268 G CA -0.558 44.523 45.100 -0.033 0.000 0.806 268 G HN 0.698 nan 8.290 nan 0.000 0.527 269 D N -0.553 119.838 120.400 -0.014 0.000 2.339 269 D HA 0.447 5.087 4.640 0.000 0.000 0.217 269 D C 0.916 177.215 176.300 -0.002 0.000 1.050 269 D CA 0.811 54.807 54.000 -0.006 0.000 0.856 269 D CB 1.101 41.901 40.800 0.000 0.000 0.922 269 D HN 0.897 nan 8.370 nan 0.000 0.518 273 L N 7.695 128.862 121.223 -0.092 0.000 2.345 273 L HA 0.516 4.856 4.340 0.000 0.000 0.274 273 L C -0.396 176.444 176.870 -0.051 0.000 0.999 273 L CA -0.180 54.628 54.840 -0.054 0.000 0.849 273 L CB 1.392 43.429 42.059 -0.036 0.000 1.220 273 L HN 0.391 nan 8.230 nan 0.000 0.422 274 K N 3.124 123.517 120.400 -0.012 0.000 2.265 274 K HA 0.674 4.994 4.320 0.000 0.000 0.267 274 K C 0.525 177.176 176.600 0.084 0.000 0.994 274 K CA -0.017 56.267 56.287 -0.004 0.000 0.860 274 K CB 1.135 33.628 32.500 -0.013 0.000 1.099 274 K HN 0.663 nan 8.250 nan 0.000 0.448 275 A N 2.835 125.737 122.820 0.136 0.000 2.791 275 A HA -0.140 4.180 4.320 0.000 0.000 0.292 275 A C 0.258 178.096 177.584 0.424 0.000 1.487 275 A CA 1.093 53.353 52.037 0.373 0.000 0.760 275 A CB -2.053 17.148 19.000 0.336 0.000 1.031 275 A HN 0.486 nan 8.150 nan 0.000 0.503 276 V N -2.051 118.061 119.914 0.330 0.000 2.721 276 V HA -0.123 3.997 4.120 0.000 0.000 0.236 276 V C 2.423 178.779 176.094 0.437 0.000 1.116 276 V CA 1.405 63.857 62.300 0.253 0.000 1.148 276 V CB -0.311 31.553 31.823 0.068 0.000 0.886 276 V HN 0.816 nan 8.190 nan 0.000 0.490 277 C N 1.937 121.557 119.300 0.533 0.000 2.401 277 C HA -0.196 4.265 4.460 0.000 0.000 0.276 277 C C 2.705 178.050 174.990 0.591 0.000 1.233 277 C CA 1.561 60.992 59.018 0.687 0.000 1.753 277 C CB -1.454 26.681 27.740 0.659 0.000 2.029 277 C HN 0.827 nan 8.230 nan 0.000 0.478 278 H N 0.456 119.751 119.070 0.375 0.000 2.561 278 H HA 0.016 4.572 4.556 -0.000 0.000 0.278 278 H C 1.203 176.640 175.328 0.182 0.000 1.014 278 H CA 0.999 57.213 56.048 0.277 0.000 1.211 278 H CB -0.794 29.125 29.762 0.261 0.000 1.365 278 H HN 0.519 nan 8.280 nan 0.000 0.594 279 N N -0.158 118.439 118.700 -0.171 0.000 2.422 279 N HA -0.007 4.733 4.740 0.000 0.000 0.181 279 N C -0.460 174.775 175.510 -0.458 0.000 1.080 279 N CA 0.278 53.067 53.050 -0.435 0.000 0.893 279 N CB 0.266 38.391 38.487 -0.603 0.000 0.973 279 N HN 0.342 nan 8.380 nan 0.000 0.456 280 W N 0.696 122.108 121.300 0.186 0.000 2.902 280 W HA 0.404 5.066 4.660 0.003 0.000 0.346 280 W C 0.517 177.139 176.519 0.172 0.000 1.139 280 W CA -0.821 56.662 57.345 0.230 0.000 1.139 280 W CB 0.338 30.046 29.460 0.413 0.000 1.439 280 W HN -0.262 nan 8.180 nan 0.000 0.558 281 S N -0.145 115.799 115.700 0.407 0.000 2.634 281 S HA 0.083 4.554 4.470 0.000 0.000 0.261 281 S C 0.509 175.222 174.600 0.189 0.000 1.271 281 S CA -0.056 58.285 58.200 0.234 0.000 0.985 281 S CB 0.819 64.127 63.200 0.182 0.000 0.968 281 S HN 0.500 nan 8.310 nan 0.000 0.568 282 D N 0.786 121.248 120.400 0.103 0.000 2.106 282 D HA -0.102 4.538 4.640 0.000 0.000 0.191 282 D C 1.912 178.229 176.300 0.027 0.000 0.997 282 D CA 1.851 55.880 54.000 0.048 0.000 0.834 282 D CB -0.410 40.402 40.800 0.020 0.000 0.956 282 D HN 0.754 nan 8.370 nan 0.000 0.448 283 E N 0.438 120.663 120.200 0.043 0.000 2.035 283 E HA -0.231 4.119 4.350 0.000 0.000 0.204 283 E C 2.038 178.646 176.600 0.014 0.000 1.025 283 E CA 1.316 57.731 56.400 0.025 0.000 0.835 283 E CB -0.057 29.665 29.700 0.036 0.000 0.764 283 E HN 0.284 nan 8.360 nan 0.000 0.457 284 K N 0.097 120.543 120.400 0.077 0.000 2.097 284 K HA -0.131 4.189 4.320 0.000 0.000 0.206 284 K C 2.344 178.846 176.600 -0.164 0.000 1.049 284 K CA 1.204 57.562 56.287 0.118 0.000 0.933 284 K CB -0.237 32.446 32.500 0.304 0.000 0.717 284 K HN 0.204 nan 8.250 nan 0.000 0.442 285 C N 1.032 120.170 119.300 -0.269 0.000 2.432 285 C HA -0.089 4.371 4.460 0.000 0.000 0.277 285 C C 2.550 177.079 174.990 -0.768 0.000 1.249 285 C CA 0.542 59.060 59.018 -0.834 0.000 1.725 285 C CB -0.678 26.950 27.740 -0.187 0.000 2.028 285 C HN 0.406 nan 8.230 nan 0.000 0.477 286 I N 0.588 120.984 120.570 -0.289 0.000 2.264 286 I HA -0.242 3.929 4.170 0.000 0.000 0.248 286 I C 2.536 178.573 176.117 -0.133 0.000 1.111 286 I CA 1.574 62.790 61.300 -0.141 0.000 1.382 286 I CB -0.613 37.353 38.000 -0.057 0.000 1.060 286 I HN 0.480 nan 8.210 nan 0.000 0.418 287 E N 0.785 120.904 120.200 -0.134 0.000 2.023 287 E HA -0.245 4.105 4.350 0.000 0.000 0.196 287 E C 2.117 178.744 176.600 0.045 0.000 1.003 287 E CA 2.003 58.410 56.400 0.012 0.000 0.809 287 E CB -0.239 29.558 29.700 0.162 0.000 0.755 287 E HN 0.650 nan 8.360 nan 0.000 0.449 288 F N -0.134 119.833 119.950 0.028 0.000 2.367 288 F HA 0.083 4.609 4.527 -0.002 0.000 0.298 288 F C 1.831 177.654 175.800 0.038 0.000 1.094 288 F CA 0.405 58.351 58.000 -0.089 0.000 1.409 288 F CB -0.623 38.127 39.000 -0.416 0.000 1.064 288 F HN -0.108 nan 8.300 nan 0.000 0.528 289 L N 0.015 121.291 121.223 0.087 0.000 2.093 289 L HA -0.136 4.204 4.340 0.000 0.000 0.208 289 L C 2.586 179.701 176.870 0.409 0.000 1.085 289 L CA 1.271 56.307 54.840 0.326 0.000 0.755 289 L CB -0.820 41.401 42.059 0.268 0.000 0.904 289 L HN 0.188 nan 8.230 nan 0.000 0.435 290 S N -0.041 115.791 115.700 0.221 0.000 2.368 290 S HA -0.132 4.338 4.470 0.000 0.000 0.225 290 S C 1.715 176.408 174.600 0.156 0.000 1.030 290 S CA 1.133 59.420 58.200 0.145 0.000 0.999 290 S CB -0.304 62.925 63.200 0.047 0.000 0.844 290 S HN 0.452 nan 8.310 nan 0.000 0.459 291 N N 0.962 119.755 118.700 0.154 0.000 2.223 291 N HA -0.043 4.697 4.740 0.000 0.000 0.185 291 N C 1.705 177.294 175.510 0.132 0.000 1.016 291 N CA 0.860 53.983 53.050 0.123 0.000 0.863 291 N CB -0.638 37.916 38.487 0.113 0.000 0.983 291 N HN 0.376 nan 8.380 nan 0.000 0.429 292 C N 0.122 119.551 119.300 0.214 0.000 2.440 292 C HA -0.049 4.411 4.460 0.000 0.000 0.278 292 C C 2.623 177.758 174.990 0.241 0.000 1.295 292 C CA 0.058 59.208 59.018 0.221 0.000 1.738 292 C CB -1.282 26.644 27.740 0.309 0.000 1.987 292 C HN 0.528 nan 8.230 nan 0.000 0.492 293 H N 1.609 120.779 119.070 0.166 0.000 2.321 293 H HA -0.097 4.463 4.556 0.007 0.000 0.300 293 H C 2.095 177.374 175.328 -0.081 0.000 1.087 293 H CA 1.692 57.666 56.048 -0.123 0.000 1.319 293 H CB -0.146 29.304 29.762 -0.519 0.000 1.379 293 H HN 0.467 nan 8.280 nan 0.000 0.501 294 K N 0.157 120.636 120.400 0.131 0.000 2.044 294 K HA -0.109 4.212 4.320 0.000 0.000 0.210 294 K C 2.241 178.844 176.600 0.004 0.000 1.049 294 K CA 1.352 57.683 56.287 0.072 0.000 0.927 294 K CB -0.111 32.424 32.500 0.058 0.000 0.713 294 K HN 0.249 nan 8.250 nan 0.000 0.443 295 A N 1.018 123.837 122.820 -0.003 0.000 2.206 295 A HA 0.061 4.381 4.320 0.000 0.000 0.211 295 A C 0.904 178.463 177.584 -0.042 0.000 1.158 295 A CA 0.147 52.166 52.037 -0.031 0.000 0.761 295 A CB -0.216 18.753 19.000 -0.053 0.000 0.801 295 A HN 0.138 nan 8.150 nan 0.000 0.473 296 L N 1.203 122.392 121.223 -0.057 0.000 2.426 296 L HA 0.122 4.463 4.340 0.000 0.000 0.271 296 L C 0.532 177.355 176.870 -0.078 0.000 1.169 296 L CA -0.517 54.283 54.840 -0.066 0.000 0.836 296 L CB 1.137 43.140 42.059 -0.093 0.000 1.112 296 L HN 0.225 nan 8.230 nan 0.000 0.465 297 S N 3.882 119.554 115.700 -0.046 0.000 2.606 297 S HA 0.058 4.528 4.470 0.000 0.000 0.257 297 S C -1.522 173.054 174.600 -0.041 0.000 1.327 297 S CA -0.996 57.184 58.200 -0.034 0.000 0.984 297 S CB 0.494 63.685 63.200 -0.016 0.000 0.941 297 S HN 0.523 nan 8.310 nan 0.000 0.576 298 P HA -0.125 nan 4.420 nan 0.000 0.214 298 P C -0.079 177.221 177.300 0.001 0.000 1.172 298 P CA 1.447 64.538 63.100 -0.016 0.000 0.925 298 P CB -0.035 31.663 31.700 -0.003 0.000 0.793 299 N N -1.165 117.550 118.700 0.025 0.000 2.546 299 N HA 0.295 5.035 4.740 0.000 0.000 0.286 299 N C 0.424 175.994 175.510 0.101 0.000 1.259 299 N CA -0.257 52.834 53.050 0.069 0.000 0.939 299 N CB 0.285 38.809 38.487 0.062 0.000 1.243 299 N HN 0.086 nan 8.380 nan 0.000 0.511 300 G N 0.700 109.538 108.800 0.062 0.000 2.557 300 G HA2 0.490 4.450 3.960 0.000 0.000 0.292 300 G HA3 0.490 4.450 3.960 0.000 0.000 0.292 300 G C -0.329 174.609 174.900 0.064 0.000 1.237 300 G CA -0.463 44.667 45.100 0.051 0.000 0.978 300 G HN 0.298 nan 8.290 nan 0.000 0.498 301 K N -1.913 118.471 120.400 -0.027 0.000 2.512 301 K HA 0.665 4.985 4.320 0.000 0.000 0.263 301 K C -1.778 174.742 176.600 -0.134 0.000 0.966 301 K CA -0.924 55.256 56.287 -0.178 0.000 0.851 301 K CB 2.249 34.374 32.500 -0.624 0.000 1.395 301 K HN 0.265 nan 8.250 nan 0.000 0.440 302 V N 2.709 122.507 119.914 -0.194 0.000 2.435 302 V HA 0.413 4.533 4.120 0.000 0.000 0.290 302 V C -0.434 175.386 176.094 -0.456 0.000 1.030 302 V CA -0.757 61.377 62.300 -0.277 0.000 0.881 302 V CB 1.272 32.859 31.823 -0.393 0.000 0.983 302 V HN 0.617 nan 8.190 nan 0.000 0.445 303 I N 5.864 126.208 120.570 -0.377 0.000 2.339 303 I HA 0.437 4.608 4.170 0.000 0.000 0.290 303 I C -0.742 175.098 176.117 -0.462 0.000 0.994 303 I CA -0.438 60.603 61.300 -0.432 0.000 1.191 303 I CB 1.475 39.284 38.000 -0.319 0.000 1.343 303 I HN 0.294 nan 8.210 nan 0.000 0.458 304 I N 7.380 127.598 120.570 -0.588 0.000 2.362 304 I HA 0.309 4.479 4.170 0.000 0.000 0.289 304 I C -0.153 175.701 176.117 -0.438 0.000 0.994 304 I CA -0.704 60.291 61.300 -0.510 0.000 1.158 304 I CB 1.734 39.331 38.000 -0.672 0.000 1.315 304 I HN 0.156 nan 8.210 nan 0.000 0.451 305 V N 6.763 126.482 119.914 -0.326 0.000 2.293 305 V HA 0.459 4.579 4.120 0.000 0.000 0.275 305 V C 0.063 175.991 176.094 -0.276 0.000 1.021 305 V CA -0.390 61.718 62.300 -0.320 0.000 0.815 305 V CB 1.091 32.758 31.823 -0.260 0.000 1.025 305 V HN 0.668 nan 8.190 nan 0.000 0.448 306 E N 2.405 122.406 120.200 -0.332 0.000 2.433 306 E HA 0.497 4.847 4.350 0.000 0.000 0.278 306 E C -1.287 175.162 176.600 -0.251 0.000 0.976 306 E CA -0.735 55.520 56.400 -0.242 0.000 0.793 306 E CB 2.802 32.411 29.700 -0.152 0.000 1.311 306 E HN 0.355 nan 8.360 nan 0.000 0.460 307 F N 0.897 120.827 119.950 -0.033 0.000 2.429 307 F HA 0.293 4.821 4.527 0.002 0.000 0.348 307 F C 0.832 176.692 175.800 0.100 0.000 1.109 307 F CA -0.094 57.920 58.000 0.024 0.000 1.232 307 F CB 0.529 39.547 39.000 0.030 0.000 1.157 307 F HN 0.155 nan 8.300 nan 0.000 0.564 308 I N 4.522 125.252 120.570 0.267 0.000 2.330 308 I HA 0.212 4.382 4.170 0.000 0.000 0.289 308 I C -0.496 175.755 176.117 0.222 0.000 1.001 308 I CA -0.512 60.941 61.300 0.255 0.000 1.193 308 I CB 1.118 39.227 38.000 0.180 0.000 1.345 308 I HN 0.337 nan 8.210 nan 0.000 0.461 309 L N 8.713 130.063 121.223 0.212 0.000 2.410 309 L HA 0.251 4.591 4.340 0.000 0.000 0.273 309 L C -1.797 175.145 176.870 0.119 0.000 1.152 309 L CA -1.502 53.425 54.840 0.144 0.000 0.855 309 L CB 0.633 42.763 42.059 0.119 0.000 1.129 309 L HN 0.315 nan 8.230 nan 0.000 0.463 310 P HA -0.018 nan 4.420 nan 0.000 0.272 310 P C 0.131 177.469 177.300 0.064 0.000 1.223 310 P CA -0.228 62.917 63.100 0.075 0.000 0.784 310 P CB 1.020 32.754 31.700 0.057 0.000 0.923 311 E N 1.510 121.744 120.200 0.057 0.000 2.086 311 E HA -0.204 4.146 4.350 0.000 0.000 0.200 311 E C 0.252 176.871 176.600 0.032 0.000 1.012 311 E CA 1.802 58.227 56.400 0.042 0.000 0.812 311 E CB 0.011 29.732 29.700 0.035 0.000 0.743 311 E HN 0.419 nan 8.360 nan 0.000 0.453 312 E N -0.059 120.159 120.200 0.029 0.000 2.288 312 E HA 0.338 4.688 4.350 0.000 0.000 0.268 312 E C -2.419 174.200 176.600 0.032 0.000 0.885 312 E CA -2.422 53.990 56.400 0.020 0.000 0.767 312 E CB 1.528 31.230 29.700 0.004 0.000 1.220 312 E HN 0.090 nan 8.360 nan 0.000 0.427 313 P HA 0.131 nan 4.420 nan 0.000 0.275 313 P C -0.614 176.708 177.300 0.036 0.000 1.227 313 P CA -0.099 63.033 63.100 0.053 0.000 0.781 313 P CB 1.030 32.793 31.700 0.104 0.000 0.906 314 N N 0.317 119.027 118.700 0.017 0.000 3.278 314 N HA 0.194 4.935 4.740 0.000 0.000 0.307 314 N C 0.088 175.579 175.510 -0.032 0.000 1.551 314 N CA -0.651 52.401 53.050 0.004 0.000 0.794 314 N CB 0.754 39.243 38.487 0.004 0.000 1.770 314 N HN 0.303 nan 8.380 nan 0.000 0.612 315 T N -2.670 111.860 114.554 -0.040 0.000 3.206 315 T HA 0.126 4.476 4.350 0.000 0.000 0.253 315 T C 0.727 175.366 174.700 -0.102 0.000 1.042 315 T CA -0.371 61.676 62.100 -0.087 0.000 0.931 315 T CB -0.923 67.912 68.868 -0.055 0.000 1.029 315 T HN 0.578 nan 8.240 nan 0.000 0.564 316 S N 0.363 116.019 115.700 -0.073 0.000 2.614 316 S HA 0.324 4.795 4.470 0.000 0.000 0.265 316 S C 1.065 175.610 174.600 -0.093 0.000 1.303 316 S CA -0.531 57.633 58.200 -0.060 0.000 1.000 316 S CB 1.291 64.477 63.200 -0.022 0.000 0.935 316 S HN 0.114 nan 8.310 nan 0.000 0.551 317 E N 1.042 121.202 120.200 -0.066 0.000 2.110 317 E HA -0.135 4.215 4.350 0.000 0.000 0.193 317 E C 2.231 178.803 176.600 -0.046 0.000 0.988 317 E CA 1.627 57.985 56.400 -0.070 0.000 0.804 317 E CB -0.243 29.439 29.700 -0.029 0.000 0.745 317 E HN 0.835 nan 8.360 nan 0.000 0.458 318 E N -0.265 119.933 120.200 -0.004 0.000 2.106 318 E HA -0.137 4.213 4.350 0.000 0.000 0.192 318 E C 2.078 178.684 176.600 0.009 0.000 0.984 318 E CA 1.274 57.695 56.400 0.034 0.000 0.806 318 E CB -0.524 29.221 29.700 0.074 0.000 0.750 318 E HN 0.113 nan 8.360 nan 0.000 0.458 319 S N 0.904 116.592 115.700 -0.020 0.000 2.368 319 S HA -0.102 4.368 4.470 0.000 0.000 0.224 319 S C 1.922 176.479 174.600 -0.072 0.000 1.029 319 S CA 1.276 59.459 58.200 -0.027 0.000 0.988 319 S CB -0.049 63.129 63.200 -0.036 0.000 0.838 319 S HN 0.237 nan 8.310 nan 0.000 0.462 320 K N 0.343 120.652 120.400 -0.151 0.000 2.026 320 K HA -0.064 4.256 4.320 0.000 0.000 0.208 320 K C 2.067 178.614 176.600 -0.089 0.000 1.048 320 K CA 1.446 57.600 56.287 -0.221 0.000 0.929 320 K CB -0.390 31.866 32.500 -0.406 0.000 0.713 320 K HN 0.292 nan 8.250 nan 0.000 0.439 321 L N 0.886 122.062 121.223 -0.079 0.000 1.976 321 L HA -0.169 4.172 4.340 0.000 0.000 0.209 321 L C 2.022 178.821 176.870 -0.118 0.000 1.071 321 L CA 1.582 56.367 54.840 -0.092 0.000 0.746 321 L CB -0.432 41.568 42.059 -0.100 0.000 0.890 321 L HN -0.083 nan 8.230 nan 0.000 0.432 322 V N -0.983 118.884 119.914 -0.078 0.000 2.407 322 V HA -0.252 3.868 4.120 0.000 0.000 0.248 322 V C 2.597 178.686 176.094 -0.009 0.000 1.055 322 V CA 1.843 64.113 62.300 -0.050 0.000 1.049 322 V CB -0.890 30.973 31.823 0.068 0.000 0.662 322 V HN 0.489 nan 8.190 nan 0.000 0.455 323 S N -0.492 115.211 115.700 0.005 0.000 2.402 323 S HA -0.167 4.303 4.470 0.000 0.000 0.229 323 S C 2.104 176.723 174.600 0.032 0.000 1.021 323 S CA 1.770 59.987 58.200 0.027 0.000 0.974 323 S CB -0.289 62.930 63.200 0.031 0.000 0.800 323 S HN 0.696 nan 8.310 nan 0.000 0.484 324 T N 2.583 117.147 114.554 0.017 0.000 2.812 324 T HA 0.094 4.444 4.350 0.000 0.000 0.264 324 T C 1.717 176.427 174.700 0.017 0.000 1.042 324 T CA 0.806 62.925 62.100 0.030 0.000 1.140 324 T CB -0.285 68.597 68.868 0.024 0.000 0.870 324 T HN 0.264 nan 8.240 nan 0.000 0.445 325 L N 0.891 122.094 121.223 -0.034 0.000 2.046 325 L HA -0.108 4.232 4.340 0.000 0.000 0.208 325 L C 2.559 179.464 176.870 0.059 0.000 1.077 325 L CA 1.322 56.144 54.840 -0.029 0.000 0.747 325 L CB -0.562 41.404 42.059 -0.155 0.000 0.896 325 L HN 0.223 nan 8.230 nan 0.000 0.432 326 D N 0.300 120.740 120.400 0.066 0.000 2.123 326 D HA -0.213 4.428 4.640 0.000 0.000 0.196 326 D C 1.946 178.328 176.300 0.137 0.000 0.992 326 D CA 1.347 55.412 54.000 0.109 0.000 0.833 326 D CB -0.009 40.840 40.800 0.082 0.000 0.954 326 D HN 0.194 nan 8.370 nan 0.000 0.455 327 N N -0.094 118.674 118.700 0.114 0.000 2.270 327 N HA -0.063 4.677 4.740 0.000 0.000 0.181 327 N C 1.140 176.770 175.510 0.201 0.000 1.016 327 N CA 0.028 53.173 53.050 0.158 0.000 0.870 327 N CB 0.151 38.703 38.487 0.109 0.000 0.979 327 N HN 0.294 nan 8.380 nan 0.000 0.431 331 I N 1.194 121.597 120.570 -0.278 0.000 2.335 331 I HA -0.220 3.950 4.170 0.000 0.000 0.251 331 I C 1.580 177.526 176.117 -0.284 0.000 1.129 331 I CA 2.281 63.338 61.300 -0.406 0.000 1.402 331 I CB -0.091 37.868 38.000 -0.068 0.000 1.069 331 I HN 0.511 nan 8.210 nan 0.000 0.424 332 T N 0.346 114.804 114.554 -0.161 0.000 2.937 332 T HA 0.094 4.444 4.350 0.000 0.000 0.260 332 T C 0.541 175.137 174.700 -0.173 0.000 1.051 332 T CA 0.822 62.839 62.100 -0.140 0.000 1.141 332 T CB 0.256 69.081 68.868 -0.072 0.000 0.879 332 T HN 0.128 nan 8.240 nan 0.000 0.459 333 V N -1.411 118.401 119.914 -0.170 0.000 3.203 333 V HA 0.594 4.714 4.120 0.000 0.000 0.305 333 V C 0.950 176.949 176.094 -0.158 0.000 1.361 333 V CA -0.908 61.285 62.300 -0.178 0.000 1.066 333 V CB 1.367 33.084 31.823 -0.177 0.000 1.085 333 V HN 0.184 nan 8.190 nan 0.000 0.456 334 G N -0.184 108.530 108.800 -0.143 0.000 3.279 334 G HA2 0.412 4.373 3.960 0.000 0.000 0.230 334 G HA3 0.412 4.373 3.960 0.000 0.000 0.230 334 G C 0.477 175.371 174.900 -0.009 0.000 1.230 334 G CA 0.564 45.627 45.100 -0.061 0.000 0.891 334 G HN 1.021 nan 8.290 nan 0.000 0.518 335 G N 0.032 108.816 108.800 -0.026 0.000 2.547 335 G HA2 0.613 4.574 3.960 0.000 0.000 0.291 335 G HA3 0.613 4.574 3.960 0.000 0.000 0.291 335 G C -0.151 174.831 174.900 0.137 0.000 1.211 335 G CA -0.688 44.423 45.100 0.018 0.000 0.950 335 G HN 0.568 nan 8.290 nan 0.000 0.504 336 R N -0.530 120.076 120.500 0.177 0.000 2.709 336 R HA 0.287 4.628 4.340 0.000 0.000 0.270 336 R C -1.654 174.781 176.300 0.225 0.000 1.038 336 R CA -0.752 55.461 56.100 0.188 0.000 0.872 336 R CB 0.984 31.366 30.300 0.138 0.000 1.259 336 R HN 0.421 nan 8.270 nan 0.000 0.473 337 E N 1.677 121.989 120.200 0.188 0.000 2.280 337 E HA 0.522 4.872 4.350 0.000 0.000 0.264 337 E C -0.357 176.312 176.600 0.115 0.000 1.064 337 E CA -0.697 55.824 56.400 0.202 0.000 0.900 337 E CB 1.303 31.111 29.700 0.180 0.000 1.123 337 E HN 0.430 nan 8.360 nan 0.000 0.418 338 R N -0.469 120.090 120.500 0.098 0.000 2.837 338 R HA 0.402 4.742 4.340 0.000 0.000 0.271 338 R C -0.104 176.231 176.300 0.058 0.000 0.993 338 R CA -0.669 55.372 56.100 -0.098 0.000 0.931 338 R CB 1.653 31.566 30.300 -0.645 0.000 1.206 338 R HN 0.628 nan 8.270 nan 0.000 0.474 339 T N -2.472 112.094 114.554 0.019 0.000 2.754 339 T HA 0.055 4.405 4.350 0.000 0.000 0.286 339 T C 1.092 175.910 174.700 0.197 0.000 0.997 339 T CA -0.594 61.572 62.100 0.109 0.000 0.982 339 T CB 1.181 70.081 68.868 0.053 0.000 1.027 339 T HN 0.745 nan 8.240 nan 0.000 0.529 340 E N 0.299 120.631 120.200 0.221 0.000 2.077 340 E HA -0.163 4.187 4.350 0.000 0.000 0.193 340 E C 1.953 178.611 176.600 0.097 0.000 0.989 340 E CA 1.037 57.608 56.400 0.284 0.000 0.800 340 E CB -0.068 29.785 29.700 0.256 0.000 0.746 340 E HN 0.652 nan 8.360 nan 0.000 0.452 341 K N 0.017 120.427 120.400 0.016 0.000 2.148 341 K HA -0.140 4.181 4.320 0.000 0.000 0.204 341 K C 2.293 178.809 176.600 -0.138 0.000 1.050 341 K CA 1.243 57.477 56.287 -0.089 0.000 0.942 341 K CB -0.007 32.466 32.500 -0.045 0.000 0.724 341 K HN 0.212 nan 8.250 nan 0.000 0.446 342 Q N -0.633 119.105 119.800 -0.103 0.000 2.172 342 Q HA -0.113 4.227 4.340 0.000 0.000 0.200 342 Q C 1.556 177.442 176.000 -0.189 0.000 0.964 342 Q CA 1.282 56.990 55.803 -0.158 0.000 0.855 342 Q CB 0.008 28.635 28.738 -0.186 0.000 0.918 342 Q HN 0.417 nan 8.270 nan 0.000 0.444 343 Y N 0.611 120.868 120.300 -0.072 0.000 2.263 343 Y HA -0.160 4.390 4.550 -0.000 0.000 0.292 343 Y C 2.351 178.044 175.900 -0.345 0.000 1.130 343 Y CA 0.997 59.093 58.100 -0.006 0.000 1.179 343 Y CB 0.240 38.841 38.460 0.235 0.000 0.998 343 Y HN 0.164 nan 8.280 nan 0.000 0.532 344 E N 0.785 120.586 120.200 -0.666 0.000 2.106 344 E HA -0.237 4.113 4.350 0.000 0.000 0.192 344 E C 2.185 178.481 176.600 -0.506 0.000 0.984 344 E CA 0.983 56.703 56.400 -1.133 0.000 0.806 344 E CB -0.006 28.930 29.700 -1.274 0.000 0.750 344 E HN 0.302 nan 8.360 nan 0.000 0.458 345 K N 0.146 120.358 120.400 -0.315 0.000 2.032 345 K HA -0.187 4.133 4.320 0.000 0.000 0.209 345 K C 2.136 178.645 176.600 -0.151 0.000 1.048 345 K CA 1.054 57.229 56.287 -0.186 0.000 0.927 345 K CB -0.060 32.360 32.500 -0.134 0.000 0.712 345 K HN 0.108 nan 8.250 nan 0.000 0.441 346 L N 1.174 122.317 121.223 -0.133 0.000 2.042 346 L HA -0.187 4.153 4.340 0.000 0.000 0.210 346 L C 2.526 179.342 176.870 -0.090 0.000 1.076 346 L CA 2.065 56.871 54.840 -0.057 0.000 0.749 346 L CB -0.909 41.185 42.059 0.058 0.000 0.893 346 L HN 0.321 nan 8.230 nan 0.000 0.432 347 S N -1.507 113.982 115.700 -0.352 0.000 2.383 347 S HA -0.181 4.289 4.470 0.000 0.000 0.227 347 S C 1.955 176.532 174.600 -0.039 0.000 1.026 347 S CA 0.844 58.740 58.200 -0.507 0.000 0.981 347 S CB -0.330 62.000 63.200 -1.450 0.000 0.818 347 S HN 0.422 nan 8.310 nan 0.000 0.472 348 K N 1.169 121.510 120.400 -0.098 0.000 2.007 348 K HA 0.178 4.498 4.320 0.000 0.000 0.206 348 K C 2.105 178.697 176.600 -0.013 0.000 1.047 348 K CA 1.213 57.485 56.287 -0.025 0.000 0.937 348 K CB -0.528 31.936 32.500 -0.060 0.000 0.718 348 K HN 0.300 nan 8.250 nan 0.000 0.438 349 L N 1.576 122.781 121.223 -0.029 0.000 2.349 349 L HA -0.141 4.199 4.340 0.000 0.000 0.220 349 L C 2.047 178.911 176.870 -0.010 0.000 1.130 349 L CA 1.047 55.872 54.840 -0.025 0.000 0.791 349 L CB -0.340 41.701 42.059 -0.029 0.000 0.918 349 L HN 0.245 nan 8.230 nan 0.000 0.444 350 S N -1.826 113.904 115.700 0.051 0.000 2.577 350 S HA 0.315 4.785 4.470 0.000 0.000 0.219 350 S C 1.361 175.916 174.600 -0.074 0.000 0.962 350 S CA 0.207 58.460 58.200 0.089 0.000 0.921 350 S CB 0.825 64.201 63.200 0.294 0.000 0.789 350 S HN 0.500 nan 8.310 nan 0.000 0.497 351 G N 0.605 109.313 108.800 -0.154 0.000 2.232 351 G HA2 -0.222 3.739 3.960 0.000 0.000 0.226 351 G HA3 -0.222 3.739 3.960 0.000 0.000 0.226 351 G C -0.105 174.577 174.900 -0.362 0.000 0.996 351 G CA -0.322 44.503 45.100 -0.458 0.000 0.626 351 G HN 0.481 nan 8.290 nan 0.000 0.509 352 F N 2.325 122.306 119.950 0.052 0.000 2.529 352 F HA 0.402 4.932 4.527 0.005 0.000 0.365 352 F C 1.924 177.792 175.800 0.114 0.000 1.102 352 F CA 0.642 58.762 58.000 0.200 0.000 1.271 352 F CB 1.293 40.404 39.000 0.186 0.000 1.120 352 F HN 0.167 nan 8.300 nan 0.000 0.579 353 S N 0.932 116.809 115.700 0.294 0.000 2.458 353 S HA 0.054 4.524 4.470 0.000 0.000 0.223 353 S C 0.421 175.144 174.600 0.206 0.000 1.019 353 S CA 0.015 58.331 58.200 0.193 0.000 0.937 353 S CB 0.060 63.352 63.200 0.153 0.000 0.788 353 S HN 0.619 nan 8.310 nan 0.000 0.511 354 K N -0.169 120.415 120.400 0.307 0.000 2.427 354 K HA 0.537 4.858 4.320 0.000 0.000 0.252 354 K C -2.088 174.759 176.600 0.410 0.000 0.931 354 K CA -0.942 55.522 56.287 0.295 0.000 0.793 354 K CB 1.628 34.250 32.500 0.203 0.000 1.211 354 K HN 0.198 nan 8.250 nan 0.000 0.426 355 F N 3.597 123.647 119.950 0.166 0.000 2.546 355 F HA 0.432 4.958 4.527 -0.002 0.000 0.320 355 F C -1.479 174.426 175.800 0.174 0.000 1.076 355 F CA -0.190 57.900 58.000 0.149 0.000 0.928 355 F CB 1.766 40.763 39.000 -0.006 0.000 1.189 355 F HN 0.620 nan 8.300 nan 0.000 0.465 356 Q N 3.635 122.916 119.800 -0.865 0.000 2.503 356 Q HA 0.475 4.815 4.340 0.000 0.000 0.268 356 Q C -2.407 173.210 176.000 -0.639 0.000 0.982 356 Q CA -1.116 54.328 55.803 -0.598 0.000 0.907 356 Q CB 1.580 30.243 28.738 -0.125 0.000 1.467 356 Q HN 0.483 nan 8.270 nan 0.000 0.394 357 V N 2.883 122.550 119.914 -0.411 0.000 2.372 357 V HA 0.370 4.491 4.120 0.000 0.000 0.261 357 V C 1.061 177.067 176.094 -0.146 0.000 1.055 357 V CA 0.624 62.775 62.300 -0.248 0.000 0.930 357 V CB 0.328 32.094 31.823 -0.094 0.000 1.031 357 V HN 1.001 nan 8.190 nan 0.000 0.479 358 A N 4.603 127.341 122.820 -0.138 0.000 1.930 358 A HA 0.055 4.375 4.320 0.000 0.000 0.217 358 A C 1.077 178.643 177.584 -0.030 0.000 1.175 358 A CA 1.450 53.466 52.037 -0.036 0.000 0.627 358 A CB -0.203 18.850 19.000 0.089 0.000 0.815 358 A HN 1.112 nan 8.150 nan 0.000 0.443 359 C N -4.660 114.589 119.300 -0.085 0.000 3.216 359 C HA 0.756 5.217 4.460 0.000 0.000 0.346 359 C C -1.011 173.898 174.990 -0.134 0.000 1.384 359 C CA -1.489 57.481 59.018 -0.081 0.000 1.208 359 C CB 0.868 28.582 27.740 -0.043 0.000 1.483 359 C HN 0.448 nan 8.230 nan 0.000 0.453 360 R N 0.458 120.882 120.500 -0.126 0.000 2.621 360 R HA 0.773 5.113 4.340 0.000 0.000 0.284 360 R C -0.678 175.496 176.300 -0.210 0.000 0.998 360 R CA -0.168 55.838 56.100 -0.156 0.000 0.895 360 R CB 2.312 32.562 30.300 -0.083 0.000 1.195 360 R HN 1.191 nan 8.270 nan 0.000 0.450 361 A N 1.989 124.602 122.820 -0.345 0.000 2.312 361 A HA 0.600 4.920 4.320 0.000 0.000 0.326 361 A C -0.012 177.276 177.584 -0.493 0.000 1.172 361 A CA -0.538 51.121 52.037 -0.631 0.000 0.821 361 A CB -0.115 18.259 19.000 -1.043 0.000 1.166 361 A HN 0.906 nan 8.150 nan 0.000 0.493 362 F N -0.026 119.932 119.950 0.013 0.000 3.084 362 F HA -0.333 4.195 4.527 0.001 0.000 0.286 362 F C 0.818 176.651 175.800 0.055 0.000 0.855 362 F CA 0.865 58.893 58.000 0.046 0.000 1.091 362 F CB -2.311 36.743 39.000 0.089 0.000 1.177 362 F HN 0.899 nan 8.300 nan 0.000 0.542 363 N N -1.163 117.609 118.700 0.120 0.000 2.693 363 N HA -0.299 4.442 4.740 0.000 0.000 0.249 363 N C 0.748 176.329 175.510 0.119 0.000 1.119 363 N CA 0.613 53.717 53.050 0.090 0.000 0.717 363 N CB -0.900 37.642 38.487 0.092 0.000 1.071 363 N HN 0.748 nan 8.380 nan 0.000 0.555 364 S N -2.421 113.367 115.700 0.147 0.000 2.348 364 S HA 0.101 4.571 4.470 0.000 0.000 0.276 364 S C -0.312 174.387 174.600 0.166 0.000 1.027 364 S CA -0.550 57.783 58.200 0.222 0.000 1.386 364 S CB 0.433 63.849 63.200 0.359 0.000 1.122 364 S HN 0.128 nan 8.310 nan 0.000 0.573 365 L N 3.697 124.886 121.223 -0.057 0.000 2.268 365 L HA 0.794 5.134 4.340 0.000 0.000 0.289 365 L C 0.308 176.970 176.870 -0.347 0.000 1.064 365 L CA 0.039 54.585 54.840 -0.490 0.000 0.824 365 L CB 0.406 42.072 42.059 -0.655 0.000 1.202 365 L HN 0.374 nan 8.230 nan 0.000 0.433 366 G N 4.141 112.768 108.800 -0.288 0.000 2.425 366 G HA2 0.580 4.540 3.960 0.000 0.000 0.302 366 G HA3 0.580 4.540 3.960 0.000 0.000 0.302 366 G C -0.823 173.874 174.900 -0.339 0.000 1.159 366 G CA -0.445 44.504 45.100 -0.251 0.000 0.865 366 G HN 0.511 nan 8.290 nan 0.000 0.515 370 F N 2.204 121.917 119.950 -0.395 0.000 2.427 370 F HA 0.426 4.950 4.527 -0.005 0.000 0.348 370 F C -0.501 175.218 175.800 -0.135 0.000 1.125 370 F CA -1.056 56.790 58.000 -0.257 0.000 0.989 370 F CB 0.991 39.532 39.000 -0.765 0.000 1.165 370 F HN 0.366 nan 8.300 nan 0.000 0.442 371 Y N 3.035 123.583 120.300 0.414 0.000 2.323 371 Y HA 0.261 4.805 4.550 -0.010 0.000 0.331 371 Y C 0.694 176.867 175.900 0.454 0.000 1.092 371 Y CA -0.874 57.438 58.100 0.354 0.000 1.150 371 Y CB 1.045 39.618 38.460 0.189 0.000 1.200 371 Y HN 0.486 nan 8.280 nan 0.000 0.472 372 K N 0.000 120.640 120.400 0.400 0.000 2.780 372 K HA 0.000 4.320 4.320 0.000 0.000 0.191 372 K CA 0.000 56.340 56.287 0.088 0.000 0.838 372 K CB 0.000 32.367 32.500 -0.222 0.000 1.064 372 K HN 0.000 nan 8.250 nan 0.000 0.543