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 2pts_1_A DATA FIRST_RESID 2 DATA SEQUENCE ELSSLTAVSP VDGRYGDKVS ALRGIFSEYG LLKFRVQVEV RWLQKLAAHA DATA SEQUENCE AIKEVPAFAA DAIGYLDAIV ASFSEEDAAR IKTIERTTNH DVKAVEYFLK DATA SEQUENCE EKVAEIPELH AVSEFIHFAC TSEDINNLSH ALXLKTARDE VILPYWRQLI DATA SEQUENCE DGLKDLAVQY RDIPLLSRTH GQPATPSTIG KEXANVAYRX ERQYRQLNQV DATA SEQUENCE EILGKINGAV GNYNAHIAAY PEVDWHQFSE EFVTSLGIQW NPYTTQIEPH DATA SEQUENCE DYIAELFDCV ARFNTILIDF DRDVWGYIAL NHFKQKTIXX XXXXXXXPHK DATA SEQUENCE VNPIDFENSE GNLGLSNAVL QHLASKLPVS RWQRDLTDST VLRNLGVGIG DATA SEQUENCE YALIAYQSTL KGVSKLEVNR DHLLDELDHN WEVLAEPIQT VXRRYGIEKP DATA SEQUENCE YEKLKELTXX XRVDAEGXKQ FIDGLALPEE EKARLKAXTP ANYIGRAITX DATA SEQUENCE VDELKHH 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.596 176.600 -0.006 0.000 1.382 2 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 2 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 3 L N 2.091 123.311 121.223 -0.005 0.000 2.360 3 L HA 0.508 4.853 4.340 0.008 0.000 0.276 3 L C -0.232 176.633 176.870 -0.009 0.000 1.121 3 L CA 0.564 55.400 54.840 -0.006 0.000 0.845 3 L CB 0.387 42.444 42.059 -0.003 0.000 1.143 3 L HN 0.635 nan 8.230 nan 0.000 0.452 4 S N 1.356 117.049 115.700 -0.012 0.000 2.656 4 S HA 0.403 4.878 4.470 0.008 0.000 0.273 4 S C 0.704 175.292 174.600 -0.020 0.000 1.168 4 S CA -0.126 58.065 58.200 -0.015 0.000 0.817 4 S CB 0.881 64.072 63.200 -0.015 0.000 1.146 4 S HN 0.770 nan 8.310 nan 0.000 0.475 5 S N 0.503 116.190 115.700 -0.023 0.000 2.400 5 S HA -0.066 4.409 4.470 0.008 0.000 0.232 5 S C 1.660 176.235 174.600 -0.042 0.000 1.025 5 S CA 0.985 59.166 58.200 -0.032 0.000 0.993 5 S CB -0.905 62.276 63.200 -0.031 0.000 0.808 5 S HN 0.612 nan 8.310 nan 0.000 0.478 6 L N 1.628 122.830 121.223 -0.035 0.000 2.156 6 L HA -0.033 4.312 4.340 0.008 0.000 0.208 6 L C 2.877 179.727 176.870 -0.033 0.000 1.095 6 L CA 1.619 56.437 54.840 -0.036 0.000 0.770 6 L CB -0.585 41.458 42.059 -0.027 0.000 0.914 6 L HN 0.646 nan 8.230 nan 0.000 0.439 7 T N -3.461 111.078 114.554 -0.026 0.000 3.060 7 T HA 0.280 4.635 4.350 0.008 0.000 0.249 7 T C 0.855 175.543 174.700 -0.021 0.000 1.079 7 T CA 0.155 62.242 62.100 -0.021 0.000 1.013 7 T CB -0.060 68.799 68.868 -0.015 0.000 0.975 7 T HN 0.164 nan 8.240 nan 0.000 0.518 8 A N 1.439 124.245 122.820 -0.025 0.000 2.546 8 A HA 0.441 4.766 4.320 0.008 0.000 0.243 8 A C 1.585 179.156 177.584 -0.022 0.000 1.063 8 A CA -0.326 51.698 52.037 -0.022 0.000 0.757 8 A CB 0.095 19.079 19.000 -0.027 0.000 0.991 8 A HN 0.227 nan 8.150 nan 0.000 0.503 9 V N 2.654 122.561 119.914 -0.013 0.000 2.358 9 V HA -0.085 4.040 4.120 0.008 0.000 0.246 9 V C 1.675 177.767 176.094 -0.003 0.000 1.047 9 V CA 2.213 64.508 62.300 -0.008 0.000 1.035 9 V CB -0.526 31.296 31.823 -0.001 0.000 0.658 9 V HN 0.890 nan 8.190 nan 0.000 0.452 10 S N 1.104 116.803 115.700 -0.003 0.000 2.499 10 S HA 0.254 4.729 4.470 0.008 0.000 0.279 10 S C -1.131 173.461 174.600 -0.012 0.000 1.219 10 S CA -1.346 56.858 58.200 0.007 0.000 1.062 10 S CB 1.461 64.658 63.200 -0.005 0.000 0.978 10 S HN 0.244 nan 8.310 nan 0.000 0.489 11 P HA -0.010 nan 4.420 nan 0.000 0.237 11 P C 1.339 178.659 177.300 0.034 0.000 1.178 11 P CA 0.408 63.487 63.100 -0.034 0.000 0.766 11 P CB 0.010 31.713 31.700 0.006 0.000 0.876 12 V N 0.974 120.878 119.914 -0.017 0.000 2.427 12 V HA -0.142 3.983 4.120 0.008 0.000 0.248 12 V C 1.936 178.010 176.094 -0.032 0.000 1.051 12 V CA 2.040 64.288 62.300 -0.087 0.000 1.048 12 V CB -0.825 30.817 31.823 -0.303 0.000 0.666 12 V HN 0.129 nan 8.190 nan 0.000 0.456 13 D N -0.826 119.553 120.400 -0.035 0.000 2.417 13 D HA 0.144 4.788 4.640 0.008 0.000 0.207 13 D C 1.526 177.809 176.300 -0.028 0.000 1.075 13 D CA 0.945 54.933 54.000 -0.020 0.000 0.851 13 D CB 0.791 41.581 40.800 -0.016 0.000 0.976 13 D HN 0.452 nan 8.370 nan 0.000 0.505 14 G N 0.782 109.551 108.800 -0.052 0.000 2.908 14 G HA2 -0.090 3.875 3.960 0.008 0.000 0.188 14 G HA3 -0.090 3.875 3.960 0.008 0.000 0.188 14 G C 1.305 176.123 174.900 -0.138 0.000 1.903 14 G CA -0.051 44.998 45.100 -0.085 0.000 0.883 14 G HN 0.023 nan 8.290 nan 0.000 0.515 15 R N -0.973 119.364 120.500 -0.270 0.000 2.139 15 R HA -0.118 4.227 4.340 0.008 0.000 0.243 15 R C 1.597 177.672 176.300 -0.375 0.000 1.145 15 R CA 1.512 57.367 56.100 -0.408 0.000 0.976 15 R CB -0.288 29.602 30.300 -0.683 0.000 0.866 15 R HN 0.517 nan 8.270 nan 0.000 0.449 16 Y N -1.266 119.025 120.300 -0.015 0.000 2.555 16 Y HA 0.335 4.889 4.550 0.007 0.000 0.259 16 Y C 1.811 177.695 175.900 -0.027 0.000 1.179 16 Y CA -0.179 57.908 58.100 -0.021 0.000 1.230 16 Y CB -0.035 38.407 38.460 -0.031 0.000 1.146 16 Y HN 0.109 nan 8.280 nan 0.000 0.526 17 G N 0.784 109.621 108.800 0.061 0.000 2.469 17 G HA2 -0.415 3.550 3.960 0.008 0.000 0.219 17 G HA3 -0.415 3.550 3.960 0.008 0.000 0.219 17 G C 1.541 176.471 174.900 0.050 0.000 1.150 17 G CA 1.546 46.669 45.100 0.038 0.000 0.763 17 G HN 0.483 nan 8.290 nan 0.000 0.561 18 D N 0.982 121.415 120.400 0.055 0.000 2.178 18 D HA -0.055 4.590 4.640 0.008 0.000 0.201 18 D C 2.286 178.630 176.300 0.072 0.000 0.980 18 D CA 1.502 55.535 54.000 0.056 0.000 0.842 18 D CB -0.330 40.501 40.800 0.052 0.000 0.948 18 D HN 0.265 nan 8.370 nan 0.000 0.472 19 K N -0.071 120.382 120.400 0.088 0.000 2.365 19 K HA 0.017 4.342 4.320 0.008 0.000 0.199 19 K C 1.849 178.485 176.600 0.061 0.000 1.045 19 K CA 1.072 57.404 56.287 0.075 0.000 0.962 19 K CB 0.487 33.022 32.500 0.058 0.000 0.759 19 K HN 0.625 nan 8.250 nan 0.000 0.469 20 V N -1.395 118.554 119.914 0.058 0.000 2.988 20 V HA 0.139 4.263 4.120 0.008 0.000 0.356 20 V C 1.576 177.718 176.094 0.080 0.000 1.380 20 V CA 0.288 62.622 62.300 0.058 0.000 1.184 20 V CB 0.072 31.905 31.823 0.016 0.000 1.204 20 V HN 0.079 nan 8.190 nan 0.000 0.530 21 S N 1.560 117.306 115.700 0.078 0.000 2.402 21 S HA -0.196 4.278 4.470 0.008 0.000 0.233 21 S C 2.052 176.703 174.600 0.084 0.000 1.030 21 S CA 1.720 59.960 58.200 0.068 0.000 1.003 21 S CB -0.602 62.631 63.200 0.055 0.000 0.813 21 S HN 1.240 nan 8.310 nan 0.000 0.477 22 A N 1.917 124.803 122.820 0.110 0.000 1.978 22 A HA 0.107 4.432 4.320 0.008 0.000 0.220 22 A C 2.264 179.930 177.584 0.137 0.000 1.170 22 A CA 1.462 53.572 52.037 0.122 0.000 0.636 22 A CB -0.784 18.308 19.000 0.153 0.000 0.810 22 A HN 0.603 nan 8.150 nan 0.000 0.448 23 L N -1.476 119.846 121.223 0.165 0.000 2.395 23 L HA -0.040 4.305 4.340 0.008 0.000 0.218 23 L C 2.537 179.527 176.870 0.200 0.000 1.130 23 L CA 0.446 55.424 54.840 0.231 0.000 0.826 23 L CB -0.432 41.810 42.059 0.306 0.000 0.941 23 L HN 0.340 nan 8.230 nan 0.000 0.451 24 R N 0.471 121.055 120.500 0.141 0.000 2.159 24 R HA -0.097 4.248 4.340 0.008 0.000 0.237 24 R C 2.023 178.422 176.300 0.165 0.000 1.131 24 R CA 1.252 57.425 56.100 0.121 0.000 0.982 24 R CB -0.415 29.913 30.300 0.047 0.000 0.868 24 R HN 0.378 nan 8.270 nan 0.000 0.453 25 G N -0.651 108.245 108.800 0.160 0.000 3.141 25 G HA2 0.113 4.078 3.960 0.008 0.000 0.218 25 G HA3 0.113 4.078 3.960 0.008 0.000 0.218 25 G C 1.034 176.060 174.900 0.209 0.000 1.170 25 G CA -0.088 45.164 45.100 0.254 0.000 0.769 25 G HN 0.144 nan 8.290 nan 0.000 0.546 26 I N -1.863 118.789 120.570 0.138 0.000 3.650 26 I HA 0.277 4.452 4.170 0.008 0.000 0.261 26 I C 1.288 177.346 176.117 -0.098 0.000 1.154 26 I CA 0.071 61.368 61.300 -0.004 0.000 1.418 26 I CB 0.225 38.025 38.000 -0.334 0.000 1.539 26 I HN -0.027 nan 8.210 nan 0.000 0.449 27 F N 1.922 121.996 119.950 0.206 0.000 2.776 27 F HA 0.155 4.691 4.527 0.015 0.000 0.300 27 F C 1.789 177.677 175.800 0.148 0.000 1.116 27 F CA -0.374 57.725 58.000 0.165 0.000 1.375 27 F CB -0.308 38.760 39.000 0.114 0.000 1.109 27 F HN -0.021 nan 8.300 nan 0.000 0.585 28 S N -0.336 115.542 115.700 0.296 0.000 2.626 28 S HA 0.004 4.478 4.470 0.008 0.000 0.257 28 S C 1.404 176.129 174.600 0.208 0.000 1.288 28 S CA -0.323 58.016 58.200 0.231 0.000 0.980 28 S CB 0.716 64.049 63.200 0.222 0.000 0.975 28 S HN 0.384 nan 8.310 nan 0.000 0.577 29 E N -0.388 119.917 120.200 0.174 0.000 2.204 29 E HA -0.179 4.176 4.350 0.008 0.000 0.194 29 E C 1.718 178.403 176.600 0.141 0.000 0.989 29 E CA 0.941 57.425 56.400 0.140 0.000 0.824 29 E CB -0.313 29.454 29.700 0.113 0.000 0.756 29 E HN 0.805 nan 8.360 nan 0.000 0.477 30 Y N 0.098 120.450 120.300 0.086 0.000 2.200 30 Y HA -0.057 4.498 4.550 0.007 0.000 0.290 30 Y C 2.067 178.011 175.900 0.074 0.000 1.137 30 Y CA 2.033 60.197 58.100 0.107 0.000 1.163 30 Y CB -0.701 37.812 38.460 0.089 0.000 0.988 30 Y HN 0.055 nan 8.280 nan 0.000 0.518 31 G N 1.099 109.933 108.800 0.056 0.000 2.418 31 G HA2 -0.263 3.702 3.960 0.008 0.000 0.217 31 G HA3 -0.263 3.702 3.960 0.008 0.000 0.217 31 G C 1.737 176.594 174.900 -0.071 0.000 1.158 31 G CA 0.917 45.971 45.100 -0.076 0.000 0.771 31 G HN 0.509 nan 8.290 nan 0.000 0.545 32 L N -0.432 120.825 121.223 0.057 0.000 2.012 32 L HA -0.067 4.277 4.340 0.008 0.000 0.210 32 L C 2.774 179.602 176.870 -0.069 0.000 1.073 32 L CA 1.125 56.015 54.840 0.083 0.000 0.748 32 L CB -0.190 41.935 42.059 0.109 0.000 0.891 32 L HN 0.159 nan 8.230 nan 0.000 0.431 33 L N 0.177 121.299 121.223 -0.168 0.000 2.093 33 L HA -0.222 4.123 4.340 0.008 0.000 0.208 33 L C 2.526 178.947 176.870 -0.747 0.000 1.085 33 L CA 1.640 56.309 54.840 -0.285 0.000 0.755 33 L CB -0.872 41.119 42.059 -0.112 0.000 0.904 33 L HN 0.247 nan 8.230 nan 0.000 0.435 34 K N -0.634 119.135 120.400 -1.051 0.000 2.026 34 K HA -0.193 4.132 4.320 0.008 0.000 0.208 34 K C 2.169 178.215 176.600 -0.925 0.000 1.048 34 K CA 1.686 57.055 56.287 -1.530 0.000 0.929 34 K CB -0.256 31.477 32.500 -1.277 0.000 0.713 34 K HN 0.202 nan 8.250 nan 0.000 0.439 35 F N 0.624 120.334 119.950 -0.400 0.000 2.259 35 F HA 0.008 4.541 4.527 0.008 0.000 0.298 35 F C 2.441 178.137 175.800 -0.173 0.000 1.088 35 F CA 0.630 58.493 58.000 -0.229 0.000 1.358 35 F CB 0.020 38.925 39.000 -0.158 0.000 1.040 35 F HN -0.048 nan 8.300 nan 0.000 0.505 36 R N -0.054 120.418 120.500 -0.046 0.000 2.096 36 R HA -0.119 4.225 4.340 0.008 0.000 0.235 36 R C 2.140 178.437 176.300 -0.005 0.000 1.127 36 R CA 1.257 57.347 56.100 -0.016 0.000 0.968 36 R CB -0.653 29.623 30.300 -0.041 0.000 0.861 36 R HN 0.160 nan 8.270 nan 0.000 0.440 37 V N 0.961 120.795 119.914 -0.134 0.000 2.358 37 V HA -0.277 3.848 4.120 0.008 0.000 0.246 37 V C 2.476 178.597 176.094 0.044 0.000 1.047 37 V CA 1.806 64.080 62.300 -0.043 0.000 1.035 37 V CB -0.510 31.191 31.823 -0.203 0.000 0.658 37 V HN 0.399 nan 8.190 nan 0.000 0.452 38 Q N -0.227 119.568 119.800 -0.007 0.000 2.061 38 Q HA -0.202 4.143 4.340 0.008 0.000 0.204 38 Q C 2.262 178.371 176.000 0.181 0.000 0.984 38 Q CA 2.440 58.294 55.803 0.085 0.000 0.846 38 Q CB -0.111 28.684 28.738 0.094 0.000 0.902 38 Q HN 0.521 nan 8.270 nan 0.000 0.421 39 V N 1.532 121.564 119.914 0.197 0.000 2.255 39 V HA -0.257 3.867 4.120 0.008 0.000 0.247 39 V C 2.331 178.671 176.094 0.411 0.000 1.051 39 V CA 2.103 64.591 62.300 0.314 0.000 1.018 39 V CB -0.663 31.305 31.823 0.243 0.000 0.641 39 V HN 0.394 nan 8.190 nan 0.000 0.445 40 E N 0.063 120.440 120.200 0.295 0.000 2.051 40 E HA -0.174 4.181 4.350 0.008 0.000 0.192 40 E C 2.345 179.170 176.600 0.376 0.000 0.991 40 E CA 1.448 58.043 56.400 0.326 0.000 0.799 40 E CB -0.488 29.363 29.700 0.253 0.000 0.748 40 E HN 0.491 nan 8.360 nan 0.000 0.449 41 V N 1.931 122.027 119.914 0.304 0.000 2.295 41 V HA -0.242 3.883 4.120 0.008 0.000 0.246 41 V C 2.357 178.656 176.094 0.341 0.000 1.049 41 V CA 1.610 64.081 62.300 0.284 0.000 1.024 41 V CB -0.414 31.537 31.823 0.212 0.000 0.648 41 V HN 0.142 nan 8.190 nan 0.000 0.447 42 R N -0.914 119.820 120.500 0.390 0.000 2.120 42 R HA -0.165 4.179 4.340 0.008 0.000 0.234 42 R C 2.005 178.704 176.300 0.665 0.000 1.123 42 R CA 1.411 57.790 56.100 0.464 0.000 0.975 42 R CB -0.992 29.553 30.300 0.408 0.000 0.866 42 R HN 0.750 nan 8.270 nan 0.000 0.446 43 W N 1.209 122.767 121.300 0.429 0.000 2.379 43 W HA -0.189 4.477 4.660 0.009 0.000 0.307 43 W C 1.671 178.294 176.519 0.174 0.000 1.200 43 W CA 0.872 58.264 57.345 0.078 0.000 1.297 43 W CB -0.220 29.191 29.460 -0.082 0.000 1.140 43 W HN 0.053 nan 8.180 nan 0.000 0.507 44 L N 1.779 123.194 121.223 0.319 0.000 2.046 44 L HA -0.241 4.104 4.340 0.008 0.000 0.208 44 L C 2.585 179.547 176.870 0.154 0.000 1.077 44 L CA 2.205 57.182 54.840 0.227 0.000 0.747 44 L CB -1.133 41.139 42.059 0.355 0.000 0.896 44 L HN 0.048 nan 8.230 nan 0.000 0.432 45 Q N -0.639 119.315 119.800 0.257 0.000 2.135 45 Q HA -0.276 4.068 4.340 0.008 0.000 0.204 45 Q C 2.269 178.262 176.000 -0.012 0.000 0.981 45 Q CA 2.004 57.928 55.803 0.202 0.000 0.856 45 Q CB -0.193 28.697 28.738 0.254 0.000 0.902 45 Q HN 0.516 nan 8.270 nan 0.000 0.425 46 K N 0.696 121.094 120.400 -0.004 0.000 2.103 46 K HA -0.092 4.233 4.320 0.008 0.000 0.204 46 K C 1.946 178.456 176.600 -0.149 0.000 1.052 46 K CA 0.554 56.772 56.287 -0.115 0.000 0.945 46 K CB 0.062 32.469 32.500 -0.156 0.000 0.722 46 K HN 0.137 nan 8.250 nan 0.000 0.443 47 L N 0.473 121.576 121.223 -0.201 0.000 2.046 47 L HA -0.179 4.166 4.340 0.008 0.000 0.208 47 L C 2.611 179.292 176.870 -0.315 0.000 1.077 47 L CA 1.361 56.052 54.840 -0.249 0.000 0.747 47 L CB -0.565 41.299 42.059 -0.326 0.000 0.896 47 L HN 0.270 nan 8.230 nan 0.000 0.432 48 A N -0.031 122.515 122.820 -0.458 0.000 1.898 48 A HA -0.131 4.193 4.320 0.008 0.000 0.216 48 A C 2.492 179.810 177.584 -0.444 0.000 1.181 48 A CA 1.618 53.240 52.037 -0.691 0.000 0.620 48 A CB -0.701 17.346 19.000 -1.589 0.000 0.819 48 A HN 0.393 nan 8.150 nan 0.000 0.442 49 A N -1.228 121.400 122.820 -0.320 0.000 2.067 49 A HA -0.058 4.267 4.320 0.008 0.000 0.219 49 A C 1.167 178.634 177.584 -0.194 0.000 1.158 49 A CA 1.101 53.006 52.037 -0.220 0.000 0.661 49 A CB -0.659 18.241 19.000 -0.167 0.000 0.801 49 A HN 0.661 nan 8.150 nan 0.000 0.452 50 H N -0.424 118.497 119.070 -0.249 0.000 2.944 50 H HA 0.471 5.031 4.556 0.008 0.000 0.278 50 H C 1.287 176.479 175.328 -0.228 0.000 1.083 50 H CA 0.143 56.060 56.048 -0.219 0.000 1.479 50 H CB 0.977 30.645 29.762 -0.157 0.000 1.486 50 H HN 0.193 nan 8.280 nan 0.000 0.493 51 A N 4.545 127.154 122.820 -0.350 0.000 1.978 51 A HA -0.190 4.135 4.320 0.008 0.000 0.220 51 A C 2.386 179.888 177.584 -0.137 0.000 1.170 51 A CA 1.547 53.446 52.037 -0.230 0.000 0.636 51 A CB -0.857 18.002 19.000 -0.235 0.000 0.810 51 A HN 0.801 nan 8.150 nan 0.000 0.448 52 A N -0.539 122.239 122.820 -0.069 0.000 2.067 52 A HA 0.133 4.458 4.320 0.008 0.000 0.219 52 A C 1.160 178.738 177.584 -0.011 0.000 1.158 52 A CA 0.683 52.739 52.037 0.031 0.000 0.661 52 A CB -0.417 18.653 19.000 0.117 0.000 0.801 52 A HN 0.458 nan 8.150 nan 0.000 0.452 53 I N 0.561 121.079 120.570 -0.087 0.000 2.206 53 I HA 0.052 4.227 4.170 0.008 0.000 0.292 53 I C 0.758 176.750 176.117 -0.208 0.000 1.156 53 I CA -0.219 60.896 61.300 -0.310 0.000 1.356 53 I CB 0.467 38.143 38.000 -0.540 0.000 1.494 53 I HN 0.253 nan 8.210 nan 0.000 0.601 54 K N 2.340 122.688 120.400 -0.087 0.000 2.103 54 K HA -0.195 4.130 4.320 0.008 0.000 0.207 54 K C 1.369 177.874 176.600 -0.158 0.000 1.048 54 K CA 1.378 57.606 56.287 -0.098 0.000 0.930 54 K CB 0.054 32.536 32.500 -0.031 0.000 0.716 54 K HN 0.397 nan 8.250 nan 0.000 0.444 55 E N 0.264 120.362 120.200 -0.169 0.000 2.331 55 E HA -0.092 4.263 4.350 0.008 0.000 0.199 55 E C -0.154 176.076 176.600 -0.617 0.000 1.008 55 E CA 0.627 56.838 56.400 -0.314 0.000 0.843 55 E CB 0.183 29.751 29.700 -0.220 0.000 0.761 55 E HN -0.033 nan 8.360 nan 0.000 0.507 56 V N 2.738 122.299 119.914 -0.588 0.000 2.315 56 V HA 0.217 4.341 4.120 0.008 0.000 0.265 56 V C -2.296 173.549 176.094 -0.415 0.000 1.019 56 V CA -1.790 60.169 62.300 -0.569 0.000 0.824 56 V CB 0.812 32.245 31.823 -0.650 0.000 1.072 56 V HN 0.014 nan 8.190 nan 0.000 0.448 57 P HA 0.148 nan 4.420 nan 0.000 0.270 57 P C 0.130 177.245 177.300 -0.307 0.000 1.223 57 P CA 0.125 63.089 63.100 -0.226 0.000 0.785 57 P CB 0.966 32.596 31.700 -0.117 0.000 0.923 58 A N 2.791 125.466 122.820 -0.241 0.000 2.561 58 A HA 0.119 4.444 4.320 0.008 0.000 0.234 58 A C 0.131 177.657 177.584 -0.096 0.000 1.055 58 A CA 0.128 52.020 52.037 -0.241 0.000 0.756 58 A CB -0.849 18.066 19.000 -0.142 0.000 0.986 58 A HN 0.465 nan 8.150 nan 0.000 0.505 59 F N 1.045 120.952 119.950 -0.072 0.000 2.384 59 F HA 0.464 4.995 4.527 0.008 0.000 0.338 59 F C 1.129 176.883 175.800 -0.078 0.000 1.103 59 F CA -0.338 57.620 58.000 -0.069 0.000 1.157 59 F CB 1.283 40.248 39.000 -0.060 0.000 1.167 59 F HN 0.762 nan 8.300 nan 0.000 0.529 60 A N 2.066 124.956 122.820 0.117 0.000 2.296 60 A HA 0.530 4.854 4.320 0.008 0.000 0.264 60 A C 1.125 178.683 177.584 -0.043 0.000 1.097 60 A CA 0.145 52.187 52.037 0.007 0.000 0.811 60 A CB 0.221 19.202 19.000 -0.031 0.000 1.072 60 A HN 0.966 nan 8.150 nan 0.000 0.495 61 A N -0.074 122.710 122.820 -0.061 0.000 1.917 61 A HA -0.041 4.284 4.320 0.008 0.000 0.219 61 A C 1.926 179.407 177.584 -0.171 0.000 1.182 61 A CA 2.766 54.755 52.037 -0.081 0.000 0.633 61 A CB -1.681 17.283 19.000 -0.060 0.000 0.819 61 A HN 1.149 nan 8.150 nan 0.000 0.448 62 D N -0.516 119.735 120.400 -0.248 0.000 2.117 62 D HA 0.101 4.746 4.640 0.008 0.000 0.197 62 D C 2.237 177.975 176.300 -0.937 0.000 0.987 62 D CA 2.391 56.089 54.000 -0.503 0.000 0.829 62 D CB -0.739 39.807 40.800 -0.423 0.000 0.961 62 D HN 0.764 nan 8.370 nan 0.000 0.460 63 A N 0.214 122.652 122.820 -0.636 0.000 1.877 63 A HA 0.073 4.397 4.320 0.008 0.000 0.216 63 A C 2.386 179.718 177.584 -0.419 0.000 1.186 63 A CA 1.435 53.116 52.037 -0.593 0.000 0.620 63 A CB -0.495 18.243 19.000 -0.436 0.000 0.822 63 A HN 0.557 nan 8.150 nan 0.000 0.443 64 I N -0.248 120.179 120.570 -0.237 0.000 2.286 64 I HA -0.220 3.955 4.170 0.008 0.000 0.248 64 I C 2.629 178.702 176.117 -0.073 0.000 1.115 64 I CA 1.101 62.353 61.300 -0.081 0.000 1.392 64 I CB -0.586 37.419 38.000 0.009 0.000 1.065 64 I HN 0.419 nan 8.210 nan 0.000 0.418 65 G N -0.024 108.694 108.800 -0.137 0.000 2.402 65 G HA2 -0.225 3.740 3.960 0.008 0.000 0.216 65 G HA3 -0.225 3.740 3.960 0.008 0.000 0.216 65 G C 1.577 176.534 174.900 0.095 0.000 1.162 65 G CA 0.458 45.534 45.100 -0.039 0.000 0.777 65 G HN 0.381 nan 8.290 nan 0.000 0.539 66 Y N 0.303 120.580 120.300 -0.039 0.000 2.181 66 Y HA -0.043 4.512 4.550 0.008 0.000 0.288 66 Y C 2.809 178.692 175.900 -0.029 0.000 1.146 66 Y CA 0.171 58.247 58.100 -0.040 0.000 1.164 66 Y CB -0.188 38.230 38.460 -0.071 0.000 0.982 66 Y HN 0.075 nan 8.280 nan 0.000 0.515 67 L N -0.207 121.079 121.223 0.105 0.000 2.056 67 L HA -0.227 4.118 4.340 0.008 0.000 0.207 67 L C 1.845 178.773 176.870 0.098 0.000 1.078 67 L CA 1.051 55.935 54.840 0.074 0.000 0.749 67 L CB -0.502 41.573 42.059 0.027 0.000 0.901 67 L HN 0.213 nan 8.230 nan 0.000 0.433 68 D N 0.262 120.713 120.400 0.085 0.000 2.178 68 D HA -0.151 4.494 4.640 0.008 0.000 0.201 68 D C 2.192 178.550 176.300 0.095 0.000 0.980 68 D CA 1.415 55.467 54.000 0.086 0.000 0.842 68 D CB 0.035 40.874 40.800 0.065 0.000 0.948 68 D HN 0.324 nan 8.370 nan 0.000 0.472 69 A N 0.701 123.584 122.820 0.105 0.000 1.930 69 A HA -0.104 4.221 4.320 0.008 0.000 0.217 69 A C 2.348 180.003 177.584 0.118 0.000 1.175 69 A CA 0.655 52.754 52.037 0.103 0.000 0.627 69 A CB -0.610 18.451 19.000 0.103 0.000 0.815 69 A HN 0.181 nan 8.150 nan 0.000 0.443 70 I N -0.350 120.297 120.570 0.129 0.000 2.264 70 I HA -0.228 3.947 4.170 0.008 0.000 0.248 70 I C 2.280 178.535 176.117 0.230 0.000 1.111 70 I CA 1.159 62.562 61.300 0.172 0.000 1.382 70 I CB -0.274 37.816 38.000 0.150 0.000 1.060 70 I HN 0.168 nan 8.210 nan 0.000 0.418 71 V N 0.815 120.830 119.914 0.168 0.000 2.283 71 V HA -0.187 3.938 4.120 0.008 0.000 0.243 71 V C 2.626 178.792 176.094 0.120 0.000 1.039 71 V CA 1.907 64.286 62.300 0.131 0.000 1.016 71 V CB -0.921 30.960 31.823 0.096 0.000 0.650 71 V HN 0.464 nan 8.190 nan 0.000 0.449 72 A N 0.493 123.378 122.820 0.108 0.000 2.014 72 A HA -0.112 4.213 4.320 0.008 0.000 0.218 72 A C 2.282 179.934 177.584 0.115 0.000 1.163 72 A CA 1.770 53.862 52.037 0.093 0.000 0.652 72 A CB -0.429 18.616 19.000 0.075 0.000 0.808 72 A HN 0.668 nan 8.150 nan 0.000 0.449 73 S N -1.823 113.959 115.700 0.138 0.000 2.557 73 S HA 0.233 4.708 4.470 0.008 0.000 0.223 73 S C 0.260 174.959 174.600 0.165 0.000 0.969 73 S CA -0.635 57.641 58.200 0.127 0.000 0.927 73 S CB -0.758 62.497 63.200 0.092 0.000 0.806 73 S HN 0.313 nan 8.310 nan 0.000 0.489 74 F N 4.725 124.715 119.950 0.068 0.000 2.549 74 F HA 0.187 4.719 4.527 0.008 0.000 0.400 74 F C 0.726 176.604 175.800 0.129 0.000 1.011 74 F CA 0.334 58.377 58.000 0.071 0.000 1.148 74 F CB 0.184 39.162 39.000 -0.035 0.000 0.993 74 F HN 0.390 nan 8.300 nan 0.000 0.540 75 S N 3.539 119.042 115.700 -0.328 0.000 2.739 75 S HA 0.379 4.854 4.470 0.008 0.000 0.306 75 S C 0.781 175.284 174.600 -0.161 0.000 1.115 75 S CA -0.686 57.439 58.200 -0.125 0.000 0.985 75 S CB 1.557 64.699 63.200 -0.097 0.000 1.133 75 S HN 0.720 nan 8.310 nan 0.000 0.541 76 E N 0.648 120.808 120.200 -0.066 0.000 2.153 76 E HA -0.157 4.198 4.350 0.008 0.000 0.194 76 E C 1.679 178.224 176.600 -0.093 0.000 0.988 76 E CA 1.313 57.678 56.400 -0.059 0.000 0.811 76 E CB -0.166 29.448 29.700 -0.144 0.000 0.746 76 E HN 0.711 nan 8.360 nan 0.000 0.466 77 E N 0.838 120.969 120.200 -0.114 0.000 2.110 77 E HA -0.175 4.180 4.350 0.008 0.000 0.193 77 E C 1.623 178.145 176.600 -0.131 0.000 0.988 77 E CA 0.876 57.223 56.400 -0.089 0.000 0.804 77 E CB 0.023 29.689 29.700 -0.056 0.000 0.745 77 E HN 0.238 nan 8.360 nan 0.000 0.458 78 D N 0.653 120.884 120.400 -0.282 0.000 2.117 78 D HA -0.113 4.532 4.640 0.008 0.000 0.198 78 D C 1.926 177.892 176.300 -0.557 0.000 0.982 78 D CA 1.213 54.967 54.000 -0.410 0.000 0.828 78 D CB -0.192 40.146 40.800 -0.770 0.000 0.967 78 D HN 0.135 nan 8.370 nan 0.000 0.464 79 A N 1.148 123.666 122.820 -0.504 0.000 1.933 79 A HA -0.036 4.288 4.320 0.008 0.000 0.218 79 A C 2.313 179.854 177.584 -0.073 0.000 1.175 79 A CA 2.070 54.028 52.037 -0.132 0.000 0.628 79 A CB -0.617 18.474 19.000 0.152 0.000 0.814 79 A HN 0.231 nan 8.150 nan 0.000 0.444 80 A N -0.303 122.480 122.820 -0.062 0.000 1.972 80 A HA -0.122 4.203 4.320 0.008 0.000 0.219 80 A C 2.156 179.731 177.584 -0.015 0.000 1.169 80 A CA 2.032 54.056 52.037 -0.022 0.000 0.635 80 A CB -0.393 18.596 19.000 -0.018 0.000 0.810 80 A HN 0.460 nan 8.150 nan 0.000 0.446 81 R N 0.406 120.889 120.500 -0.028 0.000 2.075 81 R HA 0.038 4.382 4.340 0.008 0.000 0.232 81 R C 1.695 178.022 176.300 0.045 0.000 1.126 81 R CA 1.696 57.823 56.100 0.046 0.000 0.963 81 R CB -0.812 29.582 30.300 0.157 0.000 0.858 81 R HN 0.530 nan 8.270 nan 0.000 0.435 82 I N 0.817 121.348 120.570 -0.065 0.000 2.226 82 I HA -0.288 3.886 4.170 0.008 0.000 0.245 82 I C 1.953 178.086 176.117 0.025 0.000 1.100 82 I CA 1.262 62.543 61.300 -0.031 0.000 1.374 82 I CB -0.284 37.634 38.000 -0.138 0.000 1.057 82 I HN 0.093 nan 8.210 nan 0.000 0.413 83 K N 0.353 120.761 120.400 0.013 0.000 2.057 83 K HA -0.114 4.211 4.320 0.008 0.000 0.207 83 K C 2.127 178.745 176.600 0.030 0.000 1.049 83 K CA 1.591 57.895 56.287 0.028 0.000 0.931 83 K CB -0.842 31.674 32.500 0.026 0.000 0.714 83 K HN 0.311 nan 8.250 nan 0.000 0.440 84 T N 2.136 116.708 114.554 0.029 0.000 2.684 84 T HA -0.076 4.279 4.350 0.008 0.000 0.267 84 T C 2.063 176.779 174.700 0.027 0.000 1.036 84 T CA 1.156 63.272 62.100 0.027 0.000 1.148 84 T CB -0.194 68.692 68.868 0.030 0.000 0.863 84 T HN 0.142 nan 8.240 nan 0.000 0.436 85 I N 0.826 121.423 120.570 0.044 0.000 2.361 85 I HA -0.133 4.042 4.170 0.008 0.000 0.251 85 I C 2.677 178.812 176.117 0.029 0.000 1.133 85 I CA 1.207 62.527 61.300 0.033 0.000 1.413 85 I CB -0.344 37.712 38.000 0.094 0.000 1.073 85 I HN 0.324 nan 8.210 nan 0.000 0.424 86 E N 0.956 121.187 120.200 0.052 0.000 2.265 86 E HA -0.203 4.152 4.350 0.008 0.000 0.196 86 E C 2.149 178.772 176.600 0.038 0.000 0.996 86 E CA 0.580 57.016 56.400 0.059 0.000 0.832 86 E CB 0.176 29.912 29.700 0.059 0.000 0.756 86 E HN 0.273 nan 8.360 nan 0.000 0.491 87 R N -0.325 120.189 120.500 0.023 0.000 2.193 87 R HA -0.052 4.293 4.340 0.008 0.000 0.229 87 R C 1.868 178.172 176.300 0.006 0.000 1.110 87 R CA 1.188 57.296 56.100 0.015 0.000 0.988 87 R CB -0.462 29.844 30.300 0.010 0.000 0.871 87 R HN 0.201 nan 8.270 nan 0.000 0.458 88 T N -0.587 113.963 114.554 -0.007 0.000 3.021 88 T HA -0.044 4.311 4.350 0.008 0.000 0.245 88 T C 1.825 176.514 174.700 -0.017 0.000 1.028 88 T CA 1.401 63.485 62.100 -0.028 0.000 1.139 88 T CB 0.045 68.869 68.868 -0.072 0.000 0.884 88 T HN 0.427 nan 8.240 nan 0.000 0.457 89 T N 0.470 115.025 114.554 0.001 0.000 2.942 89 T HA -0.037 4.318 4.350 0.008 0.000 0.265 89 T C 1.010 175.771 174.700 0.101 0.000 1.062 89 T CA 0.646 62.780 62.100 0.056 0.000 1.139 89 T CB -0.323 68.619 68.868 0.123 0.000 0.883 89 T HN 0.298 nan 8.240 nan 0.000 0.468 90 N N 1.679 120.430 118.700 0.085 0.000 2.714 90 N HA -0.180 4.565 4.740 0.008 0.000 0.250 90 N C -0.506 175.079 175.510 0.126 0.000 1.117 90 N CA 1.253 54.351 53.050 0.080 0.000 0.719 90 N CB -1.786 36.738 38.487 0.062 0.000 1.081 90 N HN 0.757 nan 8.380 nan 0.000 0.557 91 H N 0.466 119.559 119.070 0.038 0.000 3.224 91 H HA 0.115 4.677 4.556 0.009 0.000 0.331 91 H C 0.491 175.844 175.328 0.042 0.000 1.002 91 H CA -0.339 55.732 56.048 0.038 0.000 1.473 91 H CB 1.060 30.846 29.762 0.040 0.000 1.830 91 H HN 0.021 nan 8.280 nan 0.000 0.485 92 D N 3.423 123.861 120.400 0.063 0.000 2.117 92 D HA -0.141 4.504 4.640 0.008 0.000 0.197 92 D C 1.648 178.045 176.300 0.162 0.000 0.987 92 D CA 0.938 54.995 54.000 0.095 0.000 0.829 92 D CB -0.171 40.645 40.800 0.025 0.000 0.961 92 D HN 0.264 nan 8.370 nan 0.000 0.460 93 V N 0.085 120.146 119.914 0.245 0.000 2.427 93 V HA -0.181 3.944 4.120 0.008 0.000 0.248 93 V C 2.539 178.679 176.094 0.077 0.000 1.051 93 V CA 1.673 64.074 62.300 0.169 0.000 1.048 93 V CB -0.647 31.294 31.823 0.197 0.000 0.666 93 V HN 0.117 nan 8.190 nan 0.000 0.456 94 K N 0.941 121.433 120.400 0.153 0.000 2.097 94 K HA -0.090 4.235 4.320 0.008 0.000 0.206 94 K C 2.086 178.783 176.600 0.163 0.000 1.049 94 K CA 1.543 57.791 56.287 -0.064 0.000 0.933 94 K CB -0.606 31.806 32.500 -0.147 0.000 0.717 94 K HN 0.411 nan 8.250 nan 0.000 0.442 95 A N -0.109 122.845 122.820 0.225 0.000 1.933 95 A HA -0.111 4.214 4.320 0.008 0.000 0.218 95 A C 2.245 179.979 177.584 0.250 0.000 1.175 95 A CA 1.753 53.938 52.037 0.247 0.000 0.628 95 A CB -0.635 18.463 19.000 0.163 0.000 0.814 95 A HN 0.128 nan 8.150 nan 0.000 0.444 96 V N 0.151 120.168 119.914 0.173 0.000 2.358 96 V HA -0.246 3.879 4.120 0.008 0.000 0.246 96 V C 2.372 178.604 176.094 0.231 0.000 1.047 96 V CA 2.157 64.578 62.300 0.202 0.000 1.035 96 V CB -0.819 31.069 31.823 0.109 0.000 0.658 96 V HN 0.652 nan 8.190 nan 0.000 0.452 97 E N -0.737 119.505 120.200 0.070 0.000 2.058 97 E HA -0.248 4.107 4.350 0.008 0.000 0.194 97 E C 2.184 178.783 176.600 -0.002 0.000 0.997 97 E CA 1.796 58.175 56.400 -0.035 0.000 0.801 97 E CB -0.287 29.254 29.700 -0.265 0.000 0.746 97 E HN 0.659 nan 8.360 nan 0.000 0.450 98 Y N -0.124 120.228 120.300 0.087 0.000 2.224 98 Y HA -0.206 4.349 4.550 0.008 0.000 0.289 98 Y C 2.118 178.096 175.900 0.131 0.000 1.146 98 Y CA 1.246 59.399 58.100 0.089 0.000 1.182 98 Y CB -0.473 38.035 38.460 0.079 0.000 0.983 98 Y HN 0.097 nan 8.280 nan 0.000 0.524 99 F N 0.137 120.213 119.950 0.210 0.000 2.095 99 F HA -0.240 4.292 4.527 0.009 0.000 0.298 99 F C 1.852 177.734 175.800 0.137 0.000 1.104 99 F CA 1.573 59.668 58.000 0.159 0.000 1.232 99 F CB -0.674 38.422 39.000 0.159 0.000 0.987 99 F HN -0.059 nan 8.300 nan 0.000 0.475 100 L N 0.164 121.401 121.223 0.024 0.000 2.093 100 L HA -0.207 4.138 4.340 0.008 0.000 0.208 100 L C 2.469 179.295 176.870 -0.073 0.000 1.085 100 L CA 1.475 56.262 54.840 -0.088 0.000 0.755 100 L CB -0.697 41.426 42.059 0.106 0.000 0.904 100 L HN 0.112 nan 8.230 nan 0.000 0.435 101 K N 0.058 120.460 120.400 0.003 0.000 2.097 101 K HA -0.183 4.142 4.320 0.008 0.000 0.206 101 K C 1.956 178.571 176.600 0.026 0.000 1.049 101 K CA 1.373 57.675 56.287 0.026 0.000 0.933 101 K CB -0.085 32.443 32.500 0.047 0.000 0.717 101 K HN 0.407 nan 8.250 nan 0.000 0.442 102 E N 0.721 120.917 120.200 -0.006 0.000 2.072 102 E HA -0.139 4.216 4.350 0.008 0.000 0.191 102 E C 1.920 178.462 176.600 -0.097 0.000 0.985 102 E CA 0.769 57.155 56.400 -0.024 0.000 0.801 102 E CB 0.092 29.778 29.700 -0.024 0.000 0.750 102 E HN 0.101 nan 8.360 nan 0.000 0.452 103 K N 0.605 120.864 120.400 -0.235 0.000 2.209 103 K HA -0.070 4.255 4.320 0.008 0.000 0.204 103 K C 1.935 178.472 176.600 -0.106 0.000 1.048 103 K CA 0.635 56.783 56.287 -0.233 0.000 0.940 103 K CB -0.030 32.238 32.500 -0.386 0.000 0.729 103 K HN 0.062 nan 8.250 nan 0.000 0.451 104 V N 0.543 120.428 119.914 -0.050 0.000 3.590 104 V HA 0.039 4.163 4.120 0.008 0.000 0.265 104 V C 2.025 178.171 176.094 0.086 0.000 1.239 104 V CA 0.819 63.128 62.300 0.015 0.000 1.117 104 V CB 0.147 31.988 31.823 0.030 0.000 0.818 104 V HN 0.162 nan 8.190 nan 0.000 0.451 105 A N 0.135 123.021 122.820 0.109 0.000 1.997 105 A HA -0.243 4.082 4.320 0.008 0.000 0.221 105 A C 2.073 179.662 177.584 0.007 0.000 1.172 105 A CA 1.896 54.041 52.037 0.180 0.000 0.645 105 A CB -0.245 18.826 19.000 0.118 0.000 0.813 105 A HN 0.516 nan 8.150 nan 0.000 0.454 106 E N -0.921 119.268 120.200 -0.017 0.000 2.299 106 E HA 0.027 4.382 4.350 0.008 0.000 0.193 106 E C -0.337 176.240 176.600 -0.038 0.000 0.998 106 E CA 0.283 56.650 56.400 -0.055 0.000 0.851 106 E CB -0.080 29.576 29.700 -0.073 0.000 0.795 106 E HN 0.579 nan 8.360 nan 0.000 0.492 107 I N 3.403 123.978 120.570 0.007 0.000 2.287 107 I HA 0.057 4.232 4.170 0.008 0.000 0.290 107 I C -1.396 174.774 176.117 0.088 0.000 1.069 107 I CA -2.127 59.205 61.300 0.053 0.000 1.237 107 I CB 1.160 39.222 38.000 0.104 0.000 1.418 107 I HN -0.194 nan 8.210 nan 0.000 0.481 108 P HA -0.234 nan 4.420 nan 0.000 0.216 108 P C 0.911 178.282 177.300 0.118 0.000 1.154 108 P CA 1.693 64.843 63.100 0.084 0.000 0.865 108 P CB 0.388 32.115 31.700 0.045 0.000 0.789 109 E N -0.036 120.217 120.200 0.088 0.000 2.110 109 E HA -0.096 4.259 4.350 0.008 0.000 0.193 109 E C 2.323 178.974 176.600 0.085 0.000 0.988 109 E CA 0.970 57.420 56.400 0.083 0.000 0.804 109 E CB -0.960 28.768 29.700 0.048 0.000 0.745 109 E HN 0.286 nan 8.360 nan 0.000 0.458 110 L N 0.060 121.307 121.223 0.040 0.000 2.127 110 L HA -0.049 4.296 4.340 0.008 0.000 0.203 110 L C 2.672 179.604 176.870 0.103 0.000 1.080 110 L CA 0.972 55.815 54.840 0.005 0.000 0.768 110 L CB -0.509 41.514 42.059 -0.060 0.000 0.924 110 L HN 0.310 nan 8.230 nan 0.000 0.444 111 H N 0.982 120.079 119.070 0.045 0.000 2.456 111 H HA -0.103 4.458 4.556 0.008 0.000 0.296 111 H C 1.976 177.356 175.328 0.087 0.000 1.079 111 H CA 1.367 57.450 56.048 0.059 0.000 1.322 111 H CB 0.431 30.217 29.762 0.041 0.000 1.388 111 H HN 0.299 nan 8.280 nan 0.000 0.538 112 A N 0.780 123.699 122.820 0.166 0.000 2.015 112 A HA -0.068 4.256 4.320 0.008 0.000 0.219 112 A C 2.252 179.894 177.584 0.098 0.000 1.163 112 A CA 1.625 53.740 52.037 0.131 0.000 0.646 112 A CB -0.437 18.642 19.000 0.132 0.000 0.806 112 A HN 0.372 nan 8.150 nan 0.000 0.448 113 V N -2.394 117.592 119.914 0.119 0.000 3.276 113 V HA 0.132 4.257 4.120 0.008 0.000 0.319 113 V C 1.597 177.843 176.094 0.253 0.000 1.427 113 V CA 0.807 63.216 62.300 0.181 0.000 1.102 113 V CB -0.696 31.198 31.823 0.119 0.000 1.020 113 V HN 0.527 nan 8.190 nan 0.000 0.456 114 S N 0.645 116.408 115.700 0.105 0.000 2.419 114 S HA -0.185 4.289 4.470 0.008 0.000 0.235 114 S C 1.537 176.197 174.600 0.100 0.000 1.019 114 S CA 1.571 59.810 58.200 0.066 0.000 0.982 114 S CB -0.494 62.649 63.200 -0.096 0.000 0.789 114 S HN 0.638 nan 8.310 nan 0.000 0.490 115 E N 0.390 120.660 120.200 0.117 0.000 2.482 115 E HA 0.117 4.471 4.350 0.008 0.000 0.196 115 E C 0.560 177.163 176.600 0.005 0.000 1.047 115 E CA 0.319 56.736 56.400 0.029 0.000 0.869 115 E CB -0.335 29.343 29.700 -0.035 0.000 0.836 115 E HN 0.713 nan 8.360 nan 0.000 0.520 116 F N 0.207 120.231 119.950 0.124 0.000 2.765 116 F HA 0.204 4.736 4.527 0.008 0.000 0.302 116 F C 1.108 177.072 175.800 0.273 0.000 1.111 116 F CA -0.260 57.855 58.000 0.191 0.000 1.359 116 F CB 0.107 39.127 39.000 0.034 0.000 1.097 116 F HN -0.151 nan 8.300 nan 0.000 0.577 117 I N 0.451 121.225 120.570 0.340 0.000 2.683 117 I HA -0.103 4.072 4.170 0.008 0.000 0.286 117 I C 1.158 177.499 176.117 0.372 0.000 1.175 117 I CA 0.560 62.061 61.300 0.335 0.000 1.429 117 I CB 0.078 38.203 38.000 0.209 0.000 1.371 117 I HN 0.326 nan 8.210 nan 0.000 0.569 118 H N 4.111 123.356 119.070 0.292 0.000 3.237 118 H HA -0.266 4.294 4.556 0.007 0.000 0.231 118 H C -0.032 175.362 175.328 0.109 0.000 1.148 118 H CA 0.185 56.294 56.048 0.102 0.000 1.155 118 H CB -1.632 28.118 29.762 -0.019 0.000 1.210 118 H HN 0.475 nan 8.280 nan 0.000 0.317 119 F N 0.980 121.060 119.950 0.218 0.000 2.580 119 F HA 0.220 4.752 4.527 0.008 0.000 0.398 119 F C 1.505 177.250 175.800 -0.091 0.000 1.023 119 F CA 1.713 59.766 58.000 0.088 0.000 1.188 119 F CB -0.293 38.831 39.000 0.206 0.000 1.005 119 F HN 0.479 nan 8.300 nan 0.000 0.546 120 A N 2.573 124.783 122.820 -1.017 0.000 3.413 120 A HA -0.307 4.018 4.320 0.008 0.000 0.268 120 A C 0.774 177.857 177.584 -0.836 0.000 1.128 120 A CA 0.977 52.350 52.037 -1.108 0.000 1.062 120 A CB -2.709 15.327 19.000 -1.606 0.000 1.121 120 A HN 0.726 nan 8.150 nan 0.000 0.895 121 C N -0.062 118.790 119.300 -0.748 0.000 2.534 121 C HA 0.649 5.114 4.460 0.008 0.000 0.385 121 C C 1.137 175.792 174.990 -0.558 0.000 1.264 121 C CA 0.569 59.116 59.018 -0.786 0.000 2.342 121 C CB 0.831 27.814 27.740 -1.262 0.000 2.564 121 C HN 0.718 nan 8.230 nan 0.000 0.603 122 T N 0.444 114.818 114.554 -0.300 0.000 2.945 122 T HA 0.217 4.572 4.350 0.008 0.000 0.286 122 T C 1.149 175.856 174.700 0.012 0.000 1.025 122 T CA -0.372 61.675 62.100 -0.089 0.000 1.039 122 T CB 1.169 70.000 68.868 -0.063 0.000 1.068 122 T HN 0.742 nan 8.240 nan 0.000 0.497 123 S N 2.221 118.004 115.700 0.139 0.000 2.380 123 S HA -0.124 4.351 4.470 0.008 0.000 0.229 123 S C 1.831 176.485 174.600 0.091 0.000 1.043 123 S CA 1.179 59.485 58.200 0.177 0.000 1.038 123 S CB -0.219 63.096 63.200 0.193 0.000 0.872 123 S HN 0.707 nan 8.310 nan 0.000 0.456 124 E N 1.149 121.382 120.200 0.054 0.000 2.268 124 E HA -0.099 4.256 4.350 0.008 0.000 0.195 124 E C 1.466 178.076 176.600 0.016 0.000 0.995 124 E CA 0.588 57.015 56.400 0.045 0.000 0.836 124 E CB -0.401 29.326 29.700 0.046 0.000 0.763 124 E HN 0.480 nan 8.360 nan 0.000 0.491 125 D N 0.415 120.798 120.400 -0.029 0.000 2.144 125 D HA -0.127 4.518 4.640 0.008 0.000 0.199 125 D C 1.868 178.148 176.300 -0.033 0.000 0.984 125 D CA 0.651 54.612 54.000 -0.066 0.000 0.834 125 D CB 0.083 40.758 40.800 -0.209 0.000 0.955 125 D HN 0.175 nan 8.370 nan 0.000 0.465 126 I N 1.178 121.737 120.570 -0.018 0.000 2.277 126 I HA -0.130 4.045 4.170 0.008 0.000 0.243 126 I C 1.919 178.024 176.117 -0.020 0.000 1.094 126 I CA 0.710 62.023 61.300 0.020 0.000 1.393 126 I CB -1.169 36.879 38.000 0.080 0.000 1.078 126 I HN -0.044 nan 8.210 nan 0.000 0.417 127 N N 2.056 120.726 118.700 -0.049 0.000 2.084 127 N HA -0.198 4.547 4.740 0.008 0.000 0.190 127 N C 1.597 176.890 175.510 -0.362 0.000 1.030 127 N CA 1.691 54.611 53.050 -0.215 0.000 0.849 127 N CB -0.779 37.657 38.487 -0.085 0.000 1.012 127 N HN 0.547 nan 8.380 nan 0.000 0.423 128 N N 1.636 120.315 118.700 -0.035 0.000 2.166 128 N HA -0.145 4.600 4.740 0.008 0.000 0.186 128 N C 1.754 177.311 175.510 0.079 0.000 1.019 128 N CA 0.841 53.972 53.050 0.136 0.000 0.856 128 N CB -0.607 37.983 38.487 0.171 0.000 0.993 128 N HN 0.277 nan 8.380 nan 0.000 0.426 129 L N 0.553 121.795 121.223 0.031 0.000 2.141 129 L HA -0.027 4.318 4.340 0.008 0.000 0.209 129 L C 2.553 179.401 176.870 -0.036 0.000 1.094 129 L CA 0.738 55.599 54.840 0.035 0.000 0.763 129 L CB -0.318 41.801 42.059 0.099 0.000 0.908 129 L HN 0.161 nan 8.230 nan 0.000 0.437 130 S N -1.374 114.269 115.700 -0.096 0.000 2.368 130 S HA -0.147 4.327 4.470 0.008 0.000 0.224 130 S C 1.883 176.388 174.600 -0.159 0.000 1.029 130 S CA 0.792 58.918 58.200 -0.124 0.000 0.988 130 S CB -0.310 62.819 63.200 -0.117 0.000 0.838 130 S HN 0.454 nan 8.310 nan 0.000 0.462 131 H N 1.566 120.643 119.070 0.012 0.000 2.353 131 H HA 0.106 4.669 4.556 0.012 0.000 0.300 131 H C 2.458 177.803 175.328 0.028 0.000 1.090 131 H CA 1.218 57.293 56.048 0.044 0.000 1.327 131 H CB -0.864 28.966 29.762 0.112 0.000 1.383 131 H HN 0.432 nan 8.280 nan 0.000 0.508 132 A N 1.566 124.479 122.820 0.155 0.000 1.898 132 A HA -0.026 4.298 4.320 0.008 0.000 0.216 132 A C 1.767 179.288 177.584 -0.105 0.000 1.181 132 A CA 0.383 52.467 52.037 0.080 0.000 0.620 132 A CB -0.773 18.221 19.000 -0.009 0.000 0.819 132 A HN 0.166 nan 8.150 nan 0.000 0.442 136 K N 0.865 121.244 120.400 -0.035 0.000 2.057 136 K HA -0.108 4.217 4.320 0.008 0.000 0.207 136 K C 1.627 178.187 176.600 -0.066 0.000 1.049 136 K CA 2.141 58.394 56.287 -0.058 0.000 0.931 136 K CB 0.061 32.506 32.500 -0.091 0.000 0.714 136 K HN 0.210 nan 8.250 nan 0.000 0.440 137 T N 0.817 115.307 114.554 -0.107 0.000 2.708 137 T HA -0.122 4.233 4.350 0.008 0.000 0.266 137 T C 1.874 176.557 174.700 -0.029 0.000 1.037 137 T CA 1.367 63.430 62.100 -0.060 0.000 1.146 137 T CB -0.317 68.525 68.868 -0.044 0.000 0.865 137 T HN 0.421 nan 8.240 nan 0.000 0.435 138 A N 1.655 124.458 122.820 -0.028 0.000 1.902 138 A HA -0.135 4.190 4.320 0.008 0.000 0.217 138 A C 2.289 179.902 177.584 0.048 0.000 1.181 138 A CA 1.927 54.013 52.037 0.082 0.000 0.623 138 A CB -0.603 18.585 19.000 0.313 0.000 0.818 138 A HN 0.445 nan 8.150 nan 0.000 0.443 139 R N -0.352 120.149 120.500 0.002 0.000 2.070 139 R HA -0.162 4.183 4.340 0.008 0.000 0.232 139 R C 1.392 177.608 176.300 -0.140 0.000 1.138 139 R CA 1.983 58.019 56.100 -0.106 0.000 0.936 139 R CB -0.366 29.866 30.300 -0.113 0.000 0.839 139 R HN 0.441 nan 8.270 nan 0.000 0.429 140 D N -0.018 120.328 120.400 -0.090 0.000 2.183 140 D HA -0.106 4.539 4.640 0.008 0.000 0.203 140 D C 1.309 177.580 176.300 -0.048 0.000 0.969 140 D CA 1.201 55.155 54.000 -0.076 0.000 0.842 140 D CB 0.045 40.814 40.800 -0.052 0.000 0.957 140 D HN 0.484 nan 8.370 nan 0.000 0.484 141 E N -0.510 119.675 120.200 -0.025 0.000 2.431 141 E HA 0.066 4.421 4.350 0.008 0.000 0.200 141 E C 1.449 178.053 176.600 0.006 0.000 0.995 141 E CA 0.046 56.443 56.400 -0.005 0.000 0.915 141 E CB 1.184 30.895 29.700 0.018 0.000 0.930 141 E HN 0.050 nan 8.360 nan 0.000 0.496 142 V N 0.012 119.943 119.914 0.028 0.000 3.134 142 V HA 0.014 4.138 4.120 0.008 0.000 0.222 142 V C 1.910 178.097 176.094 0.156 0.000 1.247 142 V CA 0.067 62.435 62.300 0.114 0.000 1.281 142 V CB -0.122 31.820 31.823 0.197 0.000 1.169 142 V HN 0.095 nan 8.190 nan 0.000 0.512 143 I N 0.598 121.188 120.570 0.033 0.000 2.113 143 I HA -0.246 3.928 4.170 0.008 0.000 0.238 143 I C 2.425 178.271 176.117 -0.453 0.000 1.070 143 I CA 1.895 63.099 61.300 -0.159 0.000 1.332 143 I CB -0.362 37.415 38.000 -0.371 0.000 1.044 143 I HN 0.235 nan 8.210 nan 0.000 0.402 144 L N 0.769 121.703 121.223 -0.481 0.000 2.079 144 L HA -0.134 4.210 4.340 0.008 0.000 0.210 144 L C -0.209 176.665 176.870 0.006 0.000 1.081 144 L CA 1.324 55.931 54.840 -0.388 0.000 0.752 144 L CB -2.019 39.812 42.059 -0.379 0.000 0.896 144 L HN 0.255 nan 8.230 nan 0.000 0.433 145 P HA -0.202 nan 4.420 nan 0.000 0.219 145 P C 1.325 178.617 177.300 -0.013 0.000 1.150 145 P CA 1.553 64.638 63.100 -0.025 0.000 0.814 145 P CB -0.010 31.617 31.700 -0.122 0.000 0.787 146 Y N -1.720 118.627 120.300 0.079 0.000 2.263 146 Y HA -0.128 4.428 4.550 0.010 0.000 0.292 146 Y C 2.543 178.528 175.900 0.142 0.000 1.130 146 Y CA 0.726 58.900 58.100 0.124 0.000 1.179 146 Y CB -0.715 37.868 38.460 0.205 0.000 0.998 146 Y HN -0.098 nan 8.280 nan 0.000 0.532 147 W N 0.106 121.362 121.300 -0.074 0.000 2.358 147 W HA -0.153 4.509 4.660 0.003 0.000 0.303 147 W C 2.579 179.142 176.519 0.074 0.000 1.208 147 W CA 1.195 58.456 57.345 -0.140 0.000 1.274 147 W CB -0.902 28.388 29.460 -0.283 0.000 1.138 147 W HN -0.053 nan 8.180 nan 0.000 0.515 148 R N 0.778 121.475 120.500 0.328 0.000 2.092 148 R HA -0.144 4.201 4.340 0.008 0.000 0.231 148 R C 1.976 178.324 176.300 0.079 0.000 1.119 148 R CA 1.823 57.994 56.100 0.118 0.000 0.970 148 R CB -0.845 29.495 30.300 0.068 0.000 0.864 148 R HN 0.271 nan 8.270 nan 0.000 0.440 149 Q N -0.351 119.513 119.800 0.106 0.000 2.084 149 Q HA -0.106 4.239 4.340 0.008 0.000 0.202 149 Q C 2.132 178.190 176.000 0.097 0.000 0.978 149 Q CA 1.698 57.554 55.803 0.088 0.000 0.844 149 Q CB -0.118 28.686 28.738 0.109 0.000 0.898 149 Q HN 0.328 nan 8.270 nan 0.000 0.426 150 L N 0.144 121.446 121.223 0.132 0.000 2.027 150 L HA -0.192 4.153 4.340 0.008 0.000 0.206 150 L C 2.298 179.179 176.870 0.019 0.000 1.074 150 L CA 0.947 55.840 54.840 0.089 0.000 0.745 150 L CB -0.332 41.802 42.059 0.125 0.000 0.898 150 L HN 0.247 nan 8.230 nan 0.000 0.433 151 I N -0.135 120.463 120.570 0.047 0.000 2.163 151 I HA -0.322 3.852 4.170 0.008 0.000 0.243 151 I C 2.064 178.164 176.117 -0.028 0.000 1.085 151 I CA 1.344 62.640 61.300 -0.007 0.000 1.347 151 I CB -0.420 37.577 38.000 -0.005 0.000 1.044 151 I HN 0.298 nan 8.210 nan 0.000 0.408 152 D N 0.800 121.192 120.400 -0.013 0.000 2.178 152 D HA -0.109 4.536 4.640 0.008 0.000 0.202 152 D C 2.157 178.452 176.300 -0.009 0.000 0.974 152 D CA 1.425 55.414 54.000 -0.017 0.000 0.841 152 D CB -0.425 40.368 40.800 -0.012 0.000 0.953 152 D HN 0.417 nan 8.370 nan 0.000 0.478 153 G N 1.033 109.836 108.800 0.005 0.000 2.421 153 G HA2 -0.180 3.784 3.960 0.008 0.000 0.216 153 G HA3 -0.180 3.784 3.960 0.008 0.000 0.216 153 G C 1.592 176.492 174.900 0.001 0.000 1.171 153 G CA 0.097 45.207 45.100 0.018 0.000 0.775 153 G HN 0.182 nan 8.290 nan 0.000 0.543 154 L N 0.469 121.661 121.223 -0.052 0.000 2.093 154 L HA 0.009 4.353 4.340 0.008 0.000 0.208 154 L C 2.788 179.640 176.870 -0.030 0.000 1.085 154 L CA 1.469 56.259 54.840 -0.083 0.000 0.755 154 L CB -0.756 41.177 42.059 -0.210 0.000 0.904 154 L HN 0.307 nan 8.230 nan 0.000 0.435 155 K N -0.445 119.936 120.400 -0.032 0.000 2.148 155 K HA -0.145 4.180 4.320 0.008 0.000 0.204 155 K C 1.560 178.144 176.600 -0.026 0.000 1.050 155 K CA 0.932 57.206 56.287 -0.023 0.000 0.942 155 K CB 0.016 32.500 32.500 -0.027 0.000 0.724 155 K HN 0.302 nan 8.250 nan 0.000 0.446 156 D N 1.187 121.571 120.400 -0.027 0.000 2.144 156 D HA -0.085 4.560 4.640 0.008 0.000 0.200 156 D C 1.970 178.224 176.300 -0.076 0.000 0.978 156 D CA 0.857 54.830 54.000 -0.046 0.000 0.833 156 D CB -0.033 40.748 40.800 -0.031 0.000 0.961 156 D HN 0.120 nan 8.370 nan 0.000 0.470 157 L N 0.663 121.872 121.223 -0.024 0.000 2.056 157 L HA -0.094 4.251 4.340 0.008 0.000 0.207 157 L C 2.551 179.434 176.870 0.022 0.000 1.078 157 L CA 0.915 55.760 54.840 0.008 0.000 0.749 157 L CB -0.359 41.811 42.059 0.185 0.000 0.901 157 L HN -0.040 nan 8.230 nan 0.000 0.433 158 A N -0.253 122.589 122.820 0.037 0.000 1.877 158 A HA -0.159 4.166 4.320 0.008 0.000 0.216 158 A C 2.320 179.905 177.584 0.002 0.000 1.186 158 A CA 1.914 53.977 52.037 0.043 0.000 0.620 158 A CB -0.806 18.209 19.000 0.025 0.000 0.822 158 A HN 0.190 nan 8.150 nan 0.000 0.443 159 V N -0.089 119.800 119.914 -0.041 0.000 2.307 159 V HA -0.287 3.838 4.120 0.008 0.000 0.245 159 V C 2.731 178.765 176.094 -0.101 0.000 1.045 159 V CA 2.227 64.493 62.300 -0.057 0.000 1.024 159 V CB -0.817 30.970 31.823 -0.060 0.000 0.651 159 V HN 0.793 nan 8.190 nan 0.000 0.449 160 Q N -0.389 119.283 119.800 -0.213 0.000 2.096 160 Q HA -0.207 4.138 4.340 0.008 0.000 0.204 160 Q C 1.405 177.205 176.000 -0.334 0.000 0.982 160 Q CA 2.077 57.655 55.803 -0.376 0.000 0.850 160 Q CB -0.111 28.211 28.738 -0.693 0.000 0.901 160 Q HN 0.807 nan 8.270 nan 0.000 0.422 161 Y N -0.046 120.271 120.300 0.027 0.000 2.658 161 Y HA 0.217 4.772 4.550 0.007 0.000 0.276 161 Y C 1.597 177.488 175.900 -0.015 0.000 1.167 161 Y CA -0.591 57.514 58.100 0.009 0.000 1.230 161 Y CB 0.294 38.769 38.460 0.026 0.000 1.144 161 Y HN 0.159 nan 8.280 nan 0.000 0.529 162 R N 0.470 121.019 120.500 0.082 0.000 2.133 162 R HA -0.210 4.134 4.340 0.008 0.000 0.247 162 R C 0.337 176.652 176.300 0.025 0.000 1.151 162 R CA 2.206 58.330 56.100 0.039 0.000 0.971 162 R CB -0.586 29.720 30.300 0.010 0.000 0.866 162 R HN 0.325 nan 8.270 nan 0.000 0.447 163 D N 0.388 120.807 120.400 0.032 0.000 2.424 163 D HA 0.112 4.757 4.640 0.008 0.000 0.220 163 D C 0.007 176.305 176.300 -0.005 0.000 1.150 163 D CA -0.392 53.612 54.000 0.007 0.000 0.831 163 D CB 0.158 40.962 40.800 0.007 0.000 0.981 163 D HN 0.120 nan 8.370 nan 0.000 0.500 164 I N 3.303 123.874 120.570 0.002 0.000 2.308 164 I HA 0.204 4.379 4.170 0.008 0.000 0.293 164 I C -2.132 173.915 176.117 -0.116 0.000 1.078 164 I CA -2.374 58.893 61.300 -0.054 0.000 1.292 164 I CB 0.276 38.230 38.000 -0.077 0.000 1.423 164 I HN -0.148 nan 8.210 nan 0.000 0.493 165 P HA 0.152 nan 4.420 nan 0.000 0.269 165 P C -0.780 176.388 177.300 -0.220 0.000 1.209 165 P CA -0.340 62.670 63.100 -0.151 0.000 0.776 165 P CB 1.562 33.185 31.700 -0.127 0.000 0.876 166 L N 3.536 124.623 121.223 -0.227 0.000 2.436 166 L HA 0.446 4.791 4.340 0.008 0.000 0.268 166 L C -1.285 175.455 176.870 -0.215 0.000 0.974 166 L CA -1.115 53.547 54.840 -0.296 0.000 0.826 166 L CB 1.868 43.730 42.059 -0.329 0.000 1.291 166 L HN 0.117 nan 8.230 nan 0.000 0.406 167 L N 4.297 125.393 121.223 -0.212 0.000 2.407 167 L HA 0.441 4.786 4.340 0.008 0.000 0.282 167 L C 0.161 176.990 176.870 -0.070 0.000 1.110 167 L CA 0.736 55.504 54.840 -0.119 0.000 0.863 167 L CB 0.301 42.309 42.059 -0.085 0.000 1.207 167 L HN 0.808 nan 8.230 nan 0.000 0.454 168 S N 5.302 120.966 115.700 -0.059 0.000 2.580 168 S HA 0.415 4.889 4.470 0.008 0.000 0.266 168 S C 0.019 174.615 174.600 -0.007 0.000 1.354 168 S CA -0.460 57.728 58.200 -0.020 0.000 1.008 168 S CB 0.359 63.536 63.200 -0.038 0.000 0.898 168 S HN 0.493 nan 8.310 nan 0.000 0.555 169 R N 1.994 122.499 120.500 0.009 0.000 2.451 169 R HA 0.383 4.728 4.340 0.008 0.000 0.307 169 R C -0.736 175.511 176.300 -0.089 0.000 0.965 169 R CA -0.455 55.624 56.100 -0.034 0.000 0.865 169 R CB 1.233 31.543 30.300 0.015 0.000 1.174 169 R HN 0.845 nan 8.270 nan 0.000 0.455 170 T N -0.744 113.679 114.554 -0.218 0.000 2.807 170 T HA 0.265 4.620 4.350 0.008 0.000 0.279 170 T C 0.544 174.907 174.700 -0.563 0.000 0.993 170 T CA -0.670 61.264 62.100 -0.275 0.000 0.970 170 T CB 0.805 69.525 68.868 -0.245 0.000 0.950 170 T HN 0.820 nan 8.240 nan 0.000 0.441 171 H N 0.757 119.831 119.070 0.008 0.000 2.655 171 H HA -0.282 4.279 4.556 0.007 0.000 0.313 171 H C 1.112 176.444 175.328 0.007 0.000 1.141 171 H CA 0.624 56.675 56.048 0.004 0.000 1.138 171 H CB -2.170 27.594 29.762 0.004 0.000 1.446 171 H HN 2.009 nan 8.280 nan 0.000 0.415 172 G N -0.180 108.616 108.800 -0.007 0.000 2.196 172 G HA2 -0.350 3.615 3.960 0.008 0.000 0.268 172 G HA3 -0.350 3.615 3.960 0.008 0.000 0.268 172 G C 0.079 174.969 174.900 -0.017 0.000 0.975 172 G CA 1.010 46.110 45.100 -0.001 0.000 0.648 172 G HN 0.805 nan 8.290 nan 0.000 0.538 173 Q N 0.367 120.110 119.800 -0.095 0.000 2.359 173 Q HA 0.523 4.868 4.340 0.008 0.000 0.275 173 Q C -2.490 173.451 176.000 -0.097 0.000 1.082 173 Q CA -2.372 53.395 55.803 -0.061 0.000 0.849 173 Q CB 2.254 31.006 28.738 0.023 0.000 1.377 173 Q HN 0.138 nan 8.270 nan 0.000 0.452 174 P HA -0.051 nan 4.420 nan 0.000 0.263 174 P C -1.323 175.947 177.300 -0.049 0.000 1.175 174 P CA 0.644 63.729 63.100 -0.026 0.000 0.761 174 P CB 0.512 32.214 31.700 0.004 0.000 0.794 175 A N 2.753 125.545 122.820 -0.047 0.000 2.583 175 A HA 0.590 4.914 4.320 0.008 0.000 0.289 175 A C -0.414 177.157 177.584 -0.023 0.000 1.151 175 A CA -0.583 51.430 52.037 -0.041 0.000 0.695 175 A CB 0.318 19.272 19.000 -0.077 0.000 1.290 175 A HN 0.383 nan 8.150 nan 0.000 0.419 176 T N 3.407 117.958 114.554 -0.005 0.000 2.819 176 T HA 0.250 4.605 4.350 0.008 0.000 0.282 176 T C -2.287 172.362 174.700 -0.085 0.000 1.013 176 T CA 0.647 62.741 62.100 -0.010 0.000 1.159 176 T CB -0.457 68.396 68.868 -0.025 0.000 1.007 176 T HN 0.396 nan 8.240 nan 0.000 0.514 177 P HA 0.259 nan 4.420 nan 0.000 0.270 177 P C -0.090 177.103 177.300 -0.177 0.000 1.223 177 P CA -0.209 62.806 63.100 -0.143 0.000 0.785 177 P CB 0.736 32.355 31.700 -0.135 0.000 0.923 178 S N -0.448 115.162 115.700 -0.149 0.000 2.998 178 S HA 0.772 5.246 4.470 0.008 0.000 0.321 178 S C -1.162 173.358 174.600 -0.133 0.000 1.171 178 S CA -0.259 57.861 58.200 -0.134 0.000 0.882 178 S CB 0.740 63.880 63.200 -0.101 0.000 1.301 178 S HN 0.562 nan 8.310 nan 0.000 0.629 179 T N -0.153 114.334 114.554 -0.112 0.000 2.906 179 T HA 0.546 4.901 4.350 0.008 0.000 0.295 179 T C 1.208 175.842 174.700 -0.111 0.000 1.075 179 T CA -0.824 61.209 62.100 -0.111 0.000 1.005 179 T CB 0.750 69.579 68.868 -0.066 0.000 1.136 179 T HN 0.356 nan 8.240 nan 0.000 0.498 180 I N 1.551 122.036 120.570 -0.142 0.000 2.163 180 I HA -0.080 4.095 4.170 0.008 0.000 0.243 180 I C 2.788 178.917 176.117 0.022 0.000 1.085 180 I CA 2.230 63.445 61.300 -0.142 0.000 1.347 180 I CB -1.861 36.014 38.000 -0.209 0.000 1.044 180 I HN 0.993 nan 8.210 nan 0.000 0.408 181 G N 0.976 109.822 108.800 0.077 0.000 2.440 181 G HA2 -0.348 3.617 3.960 0.008 0.000 0.218 181 G HA3 -0.348 3.617 3.960 0.008 0.000 0.218 181 G C 1.753 176.681 174.900 0.048 0.000 1.154 181 G CA 1.282 46.439 45.100 0.095 0.000 0.767 181 G HN 0.276 nan 8.290 nan 0.000 0.552 182 K N 0.795 121.201 120.400 0.010 0.000 2.057 182 K HA -0.049 4.276 4.320 0.008 0.000 0.207 182 K C 1.374 177.980 176.600 0.011 0.000 1.049 182 K CA 0.622 56.905 56.287 -0.006 0.000 0.931 182 K CB -0.189 32.290 32.500 -0.034 0.000 0.714 182 K HN 0.225 nan 8.250 nan 0.000 0.440 186 N N 1.115 119.828 118.700 0.021 0.000 2.104 186 N HA -0.132 4.613 4.740 0.008 0.000 0.190 186 N C 1.731 177.270 175.510 0.047 0.000 1.024 186 N CA 2.008 55.070 53.050 0.019 0.000 0.853 186 N CB -0.388 38.108 38.487 0.016 0.000 1.008 186 N HN 0.369 nan 8.380 nan 0.000 0.424 187 V N 1.450 121.375 119.914 0.018 0.000 2.307 187 V HA -0.143 3.982 4.120 0.008 0.000 0.245 187 V C 2.473 178.514 176.094 -0.089 0.000 1.045 187 V CA 1.672 63.940 62.300 -0.055 0.000 1.024 187 V CB -1.058 30.680 31.823 -0.140 0.000 0.651 187 V HN 0.279 nan 8.190 nan 0.000 0.449 188 A N -0.783 121.997 122.820 -0.067 0.000 1.908 188 A HA -0.306 4.019 4.320 0.008 0.000 0.218 188 A C 2.178 179.764 177.584 0.003 0.000 1.181 188 A CA 2.302 54.308 52.037 -0.052 0.000 0.627 188 A CB -0.869 18.116 19.000 -0.025 0.000 0.818 188 A HN 0.637 nan 8.150 nan 0.000 0.445 189 Y N 0.541 120.804 120.300 -0.063 0.000 2.128 189 Y HA -0.124 4.431 4.550 0.007 0.000 0.284 189 Y C 1.586 177.467 175.900 -0.032 0.000 1.154 189 Y CA 1.514 59.586 58.100 -0.047 0.000 1.149 189 Y CB -0.155 38.261 38.460 -0.073 0.000 0.976 189 Y HN 0.258 nan 8.280 nan 0.000 0.505 193 R N 1.256 121.725 120.500 -0.051 0.000 2.073 193 R HA -0.059 4.285 4.340 0.008 0.000 0.234 193 R C 2.117 178.493 176.300 0.126 0.000 1.134 193 R CA 1.376 57.472 56.100 -0.007 0.000 0.952 193 R CB -0.026 30.250 30.300 -0.040 0.000 0.850 193 R HN 0.093 nan 8.270 nan 0.000 0.433 194 Q N -0.317 119.589 119.800 0.176 0.000 2.119 194 Q HA -0.167 4.177 4.340 0.008 0.000 0.201 194 Q C 1.831 178.110 176.000 0.465 0.000 0.972 194 Q CA 1.263 57.233 55.803 0.279 0.000 0.847 194 Q CB -0.450 28.436 28.738 0.248 0.000 0.903 194 Q HN 0.431 nan 8.270 nan 0.000 0.433 195 Y N 1.654 122.177 120.300 0.371 0.000 2.128 195 Y HA -0.327 4.228 4.550 0.008 0.000 0.284 195 Y C 2.741 178.771 175.900 0.217 0.000 1.154 195 Y CA 2.986 61.345 58.100 0.432 0.000 1.149 195 Y CB -0.397 38.247 38.460 0.308 0.000 0.976 195 Y HN 0.152 nan 8.280 nan 0.000 0.505 196 R N 0.486 121.228 120.500 0.403 0.000 2.081 196 R HA -0.185 4.160 4.340 0.008 0.000 0.235 196 R C 2.066 178.448 176.300 0.138 0.000 1.131 196 R CA 2.093 58.342 56.100 0.247 0.000 0.960 196 R CB -1.385 29.018 30.300 0.171 0.000 0.856 196 R HN 0.701 nan 8.270 nan 0.000 0.436 197 Q N -0.271 119.619 119.800 0.150 0.000 2.046 197 Q HA -0.056 4.289 4.340 0.008 0.000 0.200 197 Q C 2.331 178.384 176.000 0.088 0.000 0.975 197 Q CA 1.384 57.257 55.803 0.118 0.000 0.836 197 Q CB -0.231 28.591 28.738 0.140 0.000 0.896 197 Q HN 0.440 nan 8.270 nan 0.000 0.428 198 L N 1.387 122.667 121.223 0.094 0.000 2.042 198 L HA -0.189 4.155 4.340 0.008 0.000 0.210 198 L C 1.750 178.552 176.870 -0.113 0.000 1.076 198 L CA 1.933 56.760 54.840 -0.023 0.000 0.749 198 L CB -0.655 41.289 42.059 -0.192 0.000 0.893 198 L HN 0.139 nan 8.230 nan 0.000 0.432 199 N N -0.740 117.868 118.700 -0.154 0.000 2.381 199 N HA -0.174 4.571 4.740 0.008 0.000 0.182 199 N C 1.710 177.193 175.510 -0.046 0.000 1.025 199 N CA 1.143 54.108 53.050 -0.141 0.000 0.888 199 N CB -0.021 38.391 38.487 -0.125 0.000 0.965 199 N HN 0.585 nan 8.380 nan 0.000 0.438 200 Q N -0.853 118.944 119.800 -0.005 0.000 2.392 200 Q HA 0.171 4.516 4.340 0.008 0.000 0.203 200 Q C -0.387 175.623 176.000 0.018 0.000 0.917 200 Q CA -0.159 55.653 55.803 0.015 0.000 0.939 200 Q CB 0.861 29.620 28.738 0.036 0.000 1.063 200 Q HN 0.092 nan 8.270 nan 0.000 0.516 201 V N 2.637 122.563 119.914 0.019 0.000 2.673 201 V HA -0.065 4.060 4.120 0.008 0.000 0.303 201 V C 0.358 176.466 176.094 0.024 0.000 1.046 201 V CA 0.455 62.779 62.300 0.040 0.000 1.126 201 V CB 0.728 32.589 31.823 0.063 0.000 0.934 201 V HN 0.227 nan 8.190 nan 0.000 0.487 202 E N 4.602 124.816 120.200 0.025 0.000 2.338 202 E HA 0.380 4.735 4.350 0.008 0.000 0.272 202 E C -0.655 175.879 176.600 -0.110 0.000 1.029 202 E CA -0.209 56.171 56.400 -0.033 0.000 0.872 202 E CB 1.198 30.881 29.700 -0.029 0.000 1.015 202 E HN 0.510 nan 8.360 nan 0.000 0.417 203 I N 4.724 125.151 120.570 -0.239 0.000 2.330 203 I HA 0.188 4.363 4.170 0.008 0.000 0.286 203 I C -0.392 175.309 176.117 -0.693 0.000 1.025 203 I CA -0.379 60.595 61.300 -0.542 0.000 1.197 203 I CB 0.422 38.284 38.000 -0.231 0.000 1.358 203 I HN 0.285 nan 8.210 nan 0.000 0.467 204 L N 5.666 126.130 121.223 -1.265 0.000 2.360 204 L HA 0.831 5.176 4.340 0.008 0.000 0.271 204 L C 0.540 177.199 176.870 -0.350 0.000 1.057 204 L CA -0.525 53.950 54.840 -0.608 0.000 0.803 204 L CB 1.494 43.341 42.059 -0.354 0.000 1.207 204 L HN 0.614 nan 8.230 nan 0.000 0.445 205 G N 1.075 109.822 108.800 -0.087 0.000 2.690 205 G HA2 0.673 4.638 3.960 0.008 0.000 0.293 205 G HA3 0.673 4.638 3.960 0.008 0.000 0.293 205 G C -1.768 173.211 174.900 0.133 0.000 1.399 205 G CA -0.538 44.587 45.100 0.042 0.000 0.890 205 G HN 0.602 nan 8.290 nan 0.000 0.485 206 K N -0.964 119.527 120.400 0.152 0.000 2.509 206 K HA 0.867 5.192 4.320 0.008 0.000 0.266 206 K C -1.486 175.242 176.600 0.212 0.000 0.987 206 K CA -1.010 55.391 56.287 0.190 0.000 0.868 206 K CB 2.416 34.942 32.500 0.043 0.000 1.421 206 K HN 0.791 nan 8.250 nan 0.000 0.444 207 I N 2.210 122.937 120.570 0.262 0.000 2.654 207 I HA 0.368 4.543 4.170 0.008 0.000 0.282 207 I C -1.860 174.377 176.117 0.199 0.000 1.258 207 I CA -0.031 61.371 61.300 0.171 0.000 1.088 207 I CB 1.328 39.457 38.000 0.214 0.000 1.316 207 I HN 0.938 nan 8.210 nan 0.000 0.448 208 N N 4.639 123.331 118.700 -0.014 0.000 2.127 208 N HA 0.428 5.173 4.740 0.008 0.000 0.229 208 N C -0.098 175.251 175.510 -0.267 0.000 1.374 208 N CA 0.098 52.989 53.050 -0.264 0.000 0.763 208 N CB 0.624 38.732 38.487 -0.631 0.000 1.269 208 N HN 0.940 nan 8.380 nan 0.000 0.516 209 G N 0.162 108.936 108.800 -0.043 0.000 2.685 209 G HA2 0.194 4.159 3.960 0.008 0.000 0.387 209 G HA3 0.194 4.159 3.960 0.008 0.000 0.387 209 G C 0.865 175.723 174.900 -0.071 0.000 1.324 209 G CA 0.076 45.189 45.100 0.022 0.000 0.878 209 G HN 0.914 nan 8.290 nan 0.000 0.527 210 A N -1.092 121.687 122.820 -0.068 0.000 1.929 210 A HA 0.050 4.375 4.320 0.008 0.000 0.221 210 A C 2.463 180.013 177.584 -0.056 0.000 1.211 210 A CA 4.721 56.722 52.037 -0.060 0.000 0.657 210 A CB -0.735 18.230 19.000 -0.060 0.000 0.827 210 A HN 2.436 nan 8.150 nan 0.000 0.462 211 V N -6.157 113.712 119.914 -0.075 0.000 3.276 211 V HA 0.643 4.768 4.120 0.008 0.000 0.319 211 V C 1.011 177.037 176.094 -0.113 0.000 1.476 211 V CA 0.552 62.808 62.300 -0.072 0.000 1.097 211 V CB -0.508 31.282 31.823 -0.054 0.000 0.988 211 V HN 1.834 nan 8.190 nan 0.000 0.473 212 G N 1.613 110.308 108.800 -0.176 0.000 2.159 212 G HA2 -0.228 3.736 3.960 0.008 0.000 0.227 212 G HA3 -0.228 3.736 3.960 0.008 0.000 0.227 212 G C 0.215 174.857 174.900 -0.430 0.000 0.986 212 G CA 0.328 45.259 45.100 -0.281 0.000 0.651 212 G HN 0.522 nan 8.290 nan 0.000 0.523 213 N N -0.110 118.379 118.700 -0.352 0.000 2.200 213 N HA 0.269 5.014 4.740 0.008 0.000 0.224 213 N C 0.434 175.841 175.510 -0.172 0.000 1.179 213 N CA 0.104 52.974 53.050 -0.299 0.000 0.877 213 N CB 0.148 38.566 38.487 -0.114 0.000 1.072 213 N HN 0.512 nan 8.380 nan 0.000 0.519 214 Y N 0.032 120.270 120.300 -0.103 0.000 4.324 214 Y HA -0.322 4.233 4.550 0.009 0.000 0.224 214 Y C 1.349 177.240 175.900 -0.015 0.000 1.113 214 Y CA -0.022 57.966 58.100 -0.186 0.000 1.887 214 Y CB -2.953 35.382 38.460 -0.209 0.000 1.602 214 Y HN 0.251 nan 8.280 nan 0.000 0.654 215 N N 0.380 119.130 118.700 0.083 0.000 2.021 215 N HA -0.287 4.458 4.740 0.008 0.000 0.198 215 N C 2.079 177.597 175.510 0.014 0.000 1.041 215 N CA 1.695 54.769 53.050 0.040 0.000 0.862 215 N CB -0.258 38.221 38.487 -0.012 0.000 1.048 215 N HN 0.593 nan 8.380 nan 0.000 0.427 216 A N 1.496 124.295 122.820 -0.034 0.000 1.902 216 A HA -0.170 4.155 4.320 0.008 0.000 0.217 216 A C 1.776 179.192 177.584 -0.280 0.000 1.181 216 A CA 1.532 53.448 52.037 -0.201 0.000 0.623 216 A CB -0.825 17.959 19.000 -0.361 0.000 0.818 216 A HN 0.381 nan 8.150 nan 0.000 0.443 217 H N -0.050 118.770 119.070 -0.416 0.000 2.321 217 H HA -0.009 4.552 4.556 0.008 0.000 0.300 217 H C 1.864 176.982 175.328 -0.350 0.000 1.087 217 H CA 1.669 57.258 56.048 -0.764 0.000 1.319 217 H CB -0.441 28.303 29.762 -1.697 0.000 1.379 217 H HN 0.459 nan 8.280 nan 0.000 0.501 218 I N 0.389 120.957 120.570 -0.003 0.000 2.361 218 I HA -0.235 3.940 4.170 0.008 0.000 0.251 218 I C 2.562 178.767 176.117 0.146 0.000 1.133 218 I CA 0.875 62.295 61.300 0.200 0.000 1.413 218 I CB -0.336 37.773 38.000 0.183 0.000 1.073 218 I HN 0.323 nan 8.210 nan 0.000 0.424 219 A N 0.762 123.615 122.820 0.055 0.000 1.902 219 A HA -0.149 4.176 4.320 0.008 0.000 0.217 219 A C 2.511 180.104 177.584 0.016 0.000 1.181 219 A CA 1.972 54.020 52.037 0.019 0.000 0.623 219 A CB -0.693 18.287 19.000 -0.032 0.000 0.818 219 A HN 0.429 nan 8.150 nan 0.000 0.443 220 A N -2.135 120.705 122.820 0.033 0.000 1.903 220 A HA 0.239 4.564 4.320 0.008 0.000 0.213 220 A C 0.634 178.120 177.584 -0.164 0.000 1.185 220 A CA 0.754 52.775 52.037 -0.027 0.000 0.628 220 A CB -0.207 18.906 19.000 0.189 0.000 0.830 220 A HN 0.500 nan 8.150 nan 0.000 0.446 221 Y N -0.431 120.055 120.300 0.311 0.000 2.787 221 Y HA 0.300 4.855 4.550 0.008 0.000 0.352 221 Y C -1.857 174.255 175.900 0.352 0.000 1.027 221 Y CA -2.013 56.290 58.100 0.338 0.000 1.219 221 Y CB 1.242 39.979 38.460 0.462 0.000 1.110 221 Y HN 0.241 nan 8.280 nan 0.000 0.614 222 P HA -0.122 nan 4.420 nan 0.000 0.226 222 P C 1.032 178.436 177.300 0.173 0.000 1.153 222 P CA 1.631 64.865 63.100 0.224 0.000 0.777 222 P CB 0.391 32.169 31.700 0.130 0.000 0.794 223 E N 0.108 120.401 120.200 0.157 0.000 2.442 223 E HA 0.142 4.497 4.350 0.008 0.000 0.195 223 E C 1.063 177.666 176.600 0.006 0.000 1.030 223 E CA 0.189 56.637 56.400 0.079 0.000 0.869 223 E CB -0.583 29.162 29.700 0.075 0.000 0.857 223 E HN 0.101 nan 8.360 nan 0.000 0.505 224 V N 2.229 122.109 119.914 -0.057 0.000 2.546 224 V HA 0.220 4.345 4.120 0.008 0.000 0.284 224 V C -0.132 175.674 176.094 -0.481 0.000 1.050 224 V CA -0.636 61.418 62.300 -0.410 0.000 0.981 224 V CB 1.713 32.943 31.823 -0.988 0.000 0.990 224 V HN 0.421 nan 8.190 nan 0.000 0.474 225 D N 3.615 123.788 120.400 -0.379 0.000 2.435 225 D HA 0.093 4.738 4.640 0.008 0.000 0.230 225 D C 0.509 176.612 176.300 -0.328 0.000 1.215 225 D CA -0.183 53.681 54.000 -0.226 0.000 0.947 225 D CB 0.319 41.063 40.800 -0.093 0.000 1.048 225 D HN 0.557 nan 8.370 nan 0.000 0.512 226 W N 1.480 122.648 121.300 -0.220 0.000 2.595 226 W HA -0.035 4.630 4.660 0.008 0.000 0.257 226 W C 2.289 178.497 176.519 -0.519 0.000 1.267 226 W CA 0.145 57.246 57.345 -0.407 0.000 1.300 226 W CB -0.124 28.965 29.460 -0.617 0.000 1.120 226 W HN 0.618 nan 8.180 nan 0.000 0.618 227 H N 0.163 119.014 119.070 -0.363 0.000 2.363 227 H HA -0.185 4.376 4.556 0.008 0.000 0.301 227 H C 2.224 177.547 175.328 -0.009 0.000 1.074 227 H CA 1.626 57.615 56.048 -0.098 0.000 1.354 227 H CB 0.054 29.874 29.762 0.097 0.000 1.397 227 H HN 0.209 nan 8.280 nan 0.000 0.516 228 Q N -0.072 119.708 119.800 -0.034 0.000 2.079 228 Q HA -0.174 4.171 4.340 0.008 0.000 0.200 228 Q C 2.138 178.040 176.000 -0.163 0.000 0.974 228 Q CA 1.359 57.064 55.803 -0.163 0.000 0.840 228 Q CB -0.187 28.495 28.738 -0.093 0.000 0.898 228 Q HN 0.397 nan 8.270 nan 0.000 0.430 229 F N 0.851 120.677 119.950 -0.207 0.000 2.069 229 F HA -0.265 4.266 4.527 0.007 0.000 0.298 229 F C 2.716 178.522 175.800 0.010 0.000 1.113 229 F CA 1.926 59.840 58.000 -0.142 0.000 1.214 229 F CB -0.730 38.134 39.000 -0.226 0.000 0.978 229 F HN 0.132 nan 8.300 nan 0.000 0.474 230 S N -0.372 115.557 115.700 0.382 0.000 2.353 230 S HA -0.328 4.147 4.470 0.008 0.000 0.222 230 S C 2.191 176.691 174.600 -0.167 0.000 1.035 230 S CA 1.839 60.283 58.200 0.407 0.000 1.025 230 S CB -0.743 62.874 63.200 0.696 0.000 0.902 230 S HN 0.643 nan 8.310 nan 0.000 0.440 231 E N 0.310 119.919 120.200 -0.985 0.000 2.085 231 E HA -0.208 4.147 4.350 0.008 0.000 0.194 231 E C 1.993 178.186 176.600 -0.678 0.000 0.994 231 E CA 1.593 56.978 56.400 -1.691 0.000 0.801 231 E CB -0.240 28.266 29.700 -1.991 0.000 0.743 231 E HN 0.723 nan 8.360 nan 0.000 0.453 232 E N -0.247 119.693 120.200 -0.434 0.000 2.077 232 E HA -0.187 4.167 4.350 0.008 0.000 0.193 232 E C 1.907 178.401 176.600 -0.176 0.000 0.989 232 E CA 1.149 57.378 56.400 -0.284 0.000 0.800 232 E CB -0.280 29.245 29.700 -0.292 0.000 0.746 232 E HN 0.324 nan 8.360 nan 0.000 0.452 233 F N 1.353 121.175 119.950 -0.214 0.000 2.075 233 F HA -0.248 4.284 4.527 0.007 0.000 0.297 233 F C 2.218 178.028 175.800 0.017 0.000 1.113 233 F CA 1.214 59.189 58.000 -0.042 0.000 1.218 233 F CB -0.152 38.980 39.000 0.220 0.000 0.984 233 F HN -0.206 nan 8.300 nan 0.000 0.472 234 V N 0.550 120.474 119.914 0.016 0.000 2.287 234 V HA -0.368 3.757 4.120 0.008 0.000 0.248 234 V C 2.623 178.636 176.094 -0.135 0.000 1.053 234 V CA 2.503 64.782 62.300 -0.035 0.000 1.027 234 V CB -1.537 30.409 31.823 0.205 0.000 0.646 234 V HN 0.661 nan 8.190 nan 0.000 0.447 235 T N -0.805 113.667 114.554 -0.136 0.000 2.833 235 T HA -0.195 4.160 4.350 0.008 0.000 0.269 235 T C 1.920 176.529 174.700 -0.152 0.000 1.054 235 T CA 1.700 63.726 62.100 -0.123 0.000 1.135 235 T CB -0.650 68.141 68.868 -0.128 0.000 0.869 235 T HN 0.634 nan 8.240 nan 0.000 0.466 236 S N 1.489 117.065 115.700 -0.205 0.000 2.474 236 S HA 0.105 4.580 4.470 0.008 0.000 0.235 236 S C 1.859 176.336 174.600 -0.205 0.000 0.997 236 S CA 0.454 58.535 58.200 -0.198 0.000 0.949 236 S CB -0.836 62.234 63.200 -0.216 0.000 0.766 236 S HN 0.580 nan 8.310 nan 0.000 0.517 237 L N 0.791 121.860 121.223 -0.257 0.000 2.558 237 L HA 0.320 4.665 4.340 0.008 0.000 0.225 237 L C 1.777 178.571 176.870 -0.127 0.000 1.128 237 L CA 0.375 55.091 54.840 -0.206 0.000 0.868 237 L CB -0.530 41.375 42.059 -0.256 0.000 1.006 237 L HN 0.593 nan 8.230 nan 0.000 0.454 238 G N 0.483 109.214 108.800 -0.115 0.000 2.132 238 G HA2 -0.206 3.759 3.960 0.008 0.000 0.228 238 G HA3 -0.206 3.759 3.960 0.008 0.000 0.228 238 G C 0.027 174.876 174.900 -0.085 0.000 1.000 238 G CA -0.322 44.727 45.100 -0.085 0.000 0.693 238 G HN 0.119 nan 8.290 nan 0.000 0.515 239 I N -0.002 120.513 120.570 -0.091 0.000 2.648 239 I HA 0.437 4.612 4.170 0.008 0.000 0.304 239 I C 0.593 176.682 176.117 -0.047 0.000 1.009 239 I CA -1.197 60.051 61.300 -0.087 0.000 1.114 239 I CB 1.548 39.496 38.000 -0.087 0.000 1.293 239 I HN 0.155 nan 8.210 nan 0.000 0.449 240 Q N 2.326 122.091 119.800 -0.058 0.000 2.261 240 Q HA 0.142 4.487 4.340 0.008 0.000 0.252 240 Q C -1.020 175.036 176.000 0.093 0.000 0.915 240 Q CA -0.237 55.570 55.803 0.006 0.000 0.915 240 Q CB 1.370 30.086 28.738 -0.037 0.000 1.204 240 Q HN 0.478 nan 8.270 nan 0.000 0.421 241 W N 3.204 124.473 121.300 -0.052 0.000 2.266 241 W HA 0.154 4.819 4.660 0.009 0.000 0.317 241 W C -0.443 176.077 176.519 0.001 0.000 1.310 241 W CA -0.529 56.805 57.345 -0.019 0.000 1.207 241 W CB 0.408 29.864 29.460 -0.006 0.000 1.199 241 W HN 0.559 nan 8.180 nan 0.000 0.544 242 N N 7.908 126.447 118.700 -0.270 0.000 2.626 242 N HA 0.211 4.956 4.740 0.008 0.000 0.242 242 N C -1.414 173.666 175.510 -0.718 0.000 1.005 242 N CA -1.547 51.292 53.050 -0.352 0.000 0.905 242 N CB 1.516 39.918 38.487 -0.142 0.000 1.128 242 N HN 0.175 nan 8.380 nan 0.000 0.512 243 P HA -0.124 nan 4.420 nan 0.000 0.220 243 P C -0.658 176.282 177.300 -0.600 0.000 1.148 243 P CA 1.051 63.465 63.100 -1.142 0.000 0.803 243 P CB 0.132 31.157 31.700 -1.124 0.000 0.782 244 Y N 0.794 120.922 120.300 -0.286 0.000 2.402 244 Y HA 0.442 4.996 4.550 0.007 0.000 0.332 244 Y C 1.065 176.878 175.900 -0.145 0.000 0.960 244 Y CA -0.295 57.705 58.100 -0.166 0.000 1.228 244 Y CB 1.158 39.548 38.460 -0.117 0.000 1.120 244 Y HN -0.085 nan 8.280 nan 0.000 0.491 245 T N -1.882 112.638 114.554 -0.056 0.000 2.787 245 T HA 0.672 5.027 4.350 0.008 0.000 0.297 245 T C 0.208 174.867 174.700 -0.067 0.000 1.221 245 T CA -0.435 61.630 62.100 -0.059 0.000 1.006 245 T CB 1.696 70.511 68.868 -0.087 0.000 1.328 245 T HN 0.438 nan 8.240 nan 0.000 0.509 246 T N -1.261 113.260 114.554 -0.055 0.000 3.030 246 T HA 0.298 4.653 4.350 0.008 0.000 0.274 246 T C 1.464 176.130 174.700 -0.056 0.000 1.187 246 T CA 0.203 62.276 62.100 -0.044 0.000 0.949 246 T CB -0.280 68.582 68.868 -0.011 0.000 2.268 246 T HN 0.775 nan 8.240 nan 0.000 0.554 247 Q N 0.265 120.046 119.800 -0.032 0.000 2.167 247 Q HA 0.038 4.383 4.340 0.008 0.000 0.202 247 Q C 0.867 176.852 176.000 -0.024 0.000 0.970 247 Q CA 0.850 56.637 55.803 -0.027 0.000 0.855 247 Q CB -0.489 28.248 28.738 -0.001 0.000 0.911 247 Q HN 0.741 nan 8.270 nan 0.000 0.438 248 I N -2.324 118.227 120.570 -0.033 0.000 2.822 248 I HA 0.421 4.596 4.170 0.008 0.000 0.312 248 I C -0.244 175.797 176.117 -0.127 0.000 1.011 248 I CA -1.175 60.092 61.300 -0.054 0.000 1.105 248 I CB 1.443 39.409 38.000 -0.057 0.000 1.291 248 I HN -0.182 nan 8.210 nan 0.000 0.474 249 E N 5.049 125.154 120.200 -0.159 0.000 2.289 249 E HA 0.207 4.561 4.350 0.008 0.000 0.278 249 E C -1.885 174.440 176.600 -0.460 0.000 1.032 249 E CA -2.174 54.127 56.400 -0.165 0.000 0.854 249 E CB 1.376 31.072 29.700 -0.006 0.000 1.046 249 E HN 0.464 nan 8.360 nan 0.000 0.409 250 P HA -0.173 nan 4.420 nan 0.000 0.220 250 P C -0.279 176.850 177.300 -0.286 0.000 1.144 250 P CA 1.303 64.236 63.100 -0.278 0.000 0.800 250 P CB 0.083 31.723 31.700 -0.100 0.000 0.772 251 H N -2.872 116.179 119.070 -0.031 0.000 3.428 251 H HA -0.115 4.446 4.556 0.009 0.000 0.204 251 H C 0.889 176.081 175.328 -0.227 0.000 1.078 251 H CA 0.755 56.692 56.048 -0.185 0.000 1.183 251 H CB -2.743 26.897 29.762 -0.204 0.000 1.132 251 H HN 0.278 nan 8.280 nan 0.000 0.323 252 D N 0.681 121.075 120.400 -0.010 0.000 2.123 252 D HA -0.128 4.517 4.640 0.008 0.000 0.196 252 D C 2.141 178.417 176.300 -0.039 0.000 0.992 252 D CA 1.860 55.848 54.000 -0.019 0.000 0.833 252 D CB -0.528 40.284 40.800 0.020 0.000 0.954 252 D HN 0.730 nan 8.370 nan 0.000 0.455 253 Y N 0.582 120.859 120.300 -0.038 0.000 2.333 253 Y HA -0.047 4.511 4.550 0.013 0.000 0.290 253 Y C 2.112 177.947 175.900 -0.108 0.000 1.144 253 Y CA 0.676 58.746 58.100 -0.050 0.000 1.228 253 Y CB -0.761 37.678 38.460 -0.035 0.000 0.985 253 Y HN -0.085 nan 8.280 nan 0.000 0.542 254 I N 1.024 121.008 120.570 -0.977 0.000 2.315 254 I HA -0.254 3.921 4.170 0.008 0.000 0.248 254 I C 2.795 178.513 176.117 -0.664 0.000 1.117 254 I CA 1.200 61.907 61.300 -0.990 0.000 1.404 254 I CB -0.666 36.732 38.000 -1.004 0.000 1.071 254 I HN 0.438 nan 8.210 nan 0.000 0.419 255 A N 0.655 123.255 122.820 -0.367 0.000 1.933 255 A HA -0.211 4.114 4.320 0.008 0.000 0.218 255 A C 2.171 179.729 177.584 -0.043 0.000 1.175 255 A CA 1.597 53.542 52.037 -0.155 0.000 0.628 255 A CB -0.515 18.432 19.000 -0.088 0.000 0.814 255 A HN 0.436 nan 8.150 nan 0.000 0.444 256 E N -0.093 120.084 120.200 -0.038 0.000 2.077 256 E HA -0.144 4.211 4.350 0.008 0.000 0.193 256 E C 1.953 178.600 176.600 0.079 0.000 0.989 256 E CA 1.175 57.599 56.400 0.041 0.000 0.800 256 E CB -0.294 29.445 29.700 0.065 0.000 0.746 256 E HN 0.609 nan 8.360 nan 0.000 0.452 257 L N 0.024 121.274 121.223 0.046 0.000 1.994 257 L HA -0.174 4.171 4.340 0.008 0.000 0.208 257 L C 2.340 179.396 176.870 0.310 0.000 1.071 257 L CA 0.893 55.810 54.840 0.129 0.000 0.745 257 L CB -0.328 41.775 42.059 0.073 0.000 0.892 257 L HN 0.144 nan 8.230 nan 0.000 0.431 258 F N 0.260 120.221 119.950 0.017 0.000 2.234 258 F HA -0.179 4.348 4.527 0.001 0.000 0.299 258 F C 2.357 178.198 175.800 0.068 0.000 1.087 258 F CA 0.732 58.751 58.000 0.031 0.000 1.340 258 F CB -0.944 38.045 39.000 -0.018 0.000 1.031 258 F HN 0.169 nan 8.300 nan 0.000 0.500 259 D N -0.402 120.148 120.400 0.251 0.000 2.144 259 D HA -0.143 4.502 4.640 0.008 0.000 0.200 259 D C 2.495 178.911 176.300 0.194 0.000 0.978 259 D CA 1.545 55.650 54.000 0.175 0.000 0.833 259 D CB -0.635 40.238 40.800 0.121 0.000 0.961 259 D HN 0.392 nan 8.370 nan 0.000 0.470 260 C N -0.392 119.041 119.300 0.222 0.000 2.457 260 C HA 0.043 4.507 4.460 0.008 0.000 0.278 260 C C 2.674 177.905 174.990 0.402 0.000 1.309 260 C CA -0.090 59.091 59.018 0.271 0.000 1.735 260 C CB -1.005 26.887 27.740 0.254 0.000 1.992 260 C HN 0.067 nan 8.230 nan 0.000 0.493 261 V N 2.293 122.452 119.914 0.408 0.000 2.343 261 V HA -0.105 4.019 4.120 0.008 0.000 0.247 261 V C 3.268 179.599 176.094 0.395 0.000 1.051 261 V CA 2.280 64.895 62.300 0.525 0.000 1.036 261 V CB -1.410 30.617 31.823 0.340 0.000 0.654 261 V HN 0.712 nan 8.190 nan 0.000 0.451 262 A N -0.145 122.823 122.820 0.247 0.000 1.933 262 A HA -0.211 4.114 4.320 0.008 0.000 0.218 262 A C 2.384 180.058 177.584 0.150 0.000 1.175 262 A CA 1.669 53.804 52.037 0.163 0.000 0.628 262 A CB -0.463 18.604 19.000 0.111 0.000 0.814 262 A HN 0.501 nan 8.150 nan 0.000 0.444 263 R N -2.040 118.559 120.500 0.164 0.000 2.081 263 R HA -0.099 4.246 4.340 0.008 0.000 0.235 263 R C 2.021 178.363 176.300 0.070 0.000 1.131 263 R CA 1.560 57.725 56.100 0.109 0.000 0.960 263 R CB -0.492 29.878 30.300 0.118 0.000 0.856 263 R HN 0.612 nan 8.270 nan 0.000 0.436 264 F N 2.392 122.304 119.950 -0.063 0.000 2.102 264 F HA -0.193 4.337 4.527 0.004 0.000 0.298 264 F C 1.839 177.543 175.800 -0.161 0.000 1.105 264 F CA 1.496 59.320 58.000 -0.292 0.000 1.239 264 F CB -0.171 38.332 39.000 -0.828 0.000 0.991 264 F HN -0.056 nan 8.300 nan 0.000 0.474 265 N N -0.136 118.687 118.700 0.204 0.000 2.149 265 N HA -0.158 4.587 4.740 0.008 0.000 0.188 265 N C 1.803 177.320 175.510 0.013 0.000 1.019 265 N CA 1.957 55.108 53.050 0.169 0.000 0.857 265 N CB -0.958 37.648 38.487 0.198 0.000 0.997 265 N HN 0.297 nan 8.380 nan 0.000 0.426 266 T N 1.164 115.714 114.554 -0.007 0.000 2.821 266 T HA 0.057 4.412 4.350 0.008 0.000 0.267 266 T C 2.036 176.695 174.700 -0.068 0.000 1.046 266 T CA 0.513 62.597 62.100 -0.026 0.000 1.139 266 T CB -0.101 68.762 68.868 -0.009 0.000 0.871 266 T HN 0.184 nan 8.240 nan 0.000 0.454 267 I N 0.561 121.041 120.570 -0.152 0.000 2.286 267 I HA -0.122 4.053 4.170 0.008 0.000 0.248 267 I C 2.210 178.229 176.117 -0.164 0.000 1.115 267 I CA 0.783 61.967 61.300 -0.193 0.000 1.392 267 I CB -0.232 37.558 38.000 -0.351 0.000 1.065 267 I HN 0.176 nan 8.210 nan 0.000 0.418 268 L N 0.726 121.810 121.223 -0.233 0.000 2.093 268 L HA -0.118 4.227 4.340 0.008 0.000 0.208 268 L C 2.240 179.165 176.870 0.091 0.000 1.085 268 L CA 1.703 56.508 54.840 -0.058 0.000 0.755 268 L CB -0.370 41.656 42.059 -0.055 0.000 0.904 268 L HN 0.120 nan 8.230 nan 0.000 0.435 269 I N -0.445 120.143 120.570 0.029 0.000 2.179 269 I HA -0.301 3.874 4.170 0.008 0.000 0.242 269 I C 2.185 178.313 176.117 0.018 0.000 1.088 269 I CA 1.702 63.014 61.300 0.020 0.000 1.357 269 I CB -0.390 37.601 38.000 -0.015 0.000 1.051 269 I HN 0.335 nan 8.210 nan 0.000 0.409 270 D N 0.737 121.148 120.400 0.019 0.000 2.123 270 D HA -0.278 4.366 4.640 0.008 0.000 0.196 270 D C 2.039 178.386 176.300 0.079 0.000 0.992 270 D CA 1.422 55.435 54.000 0.023 0.000 0.833 270 D CB -0.138 40.675 40.800 0.020 0.000 0.954 270 D HN 0.258 nan 8.370 nan 0.000 0.455 271 F N 1.169 121.106 119.950 -0.022 0.000 2.113 271 F HA -0.107 4.423 4.527 0.005 0.000 0.297 271 F C 1.876 177.713 175.800 0.061 0.000 1.103 271 F CA 1.516 59.530 58.000 0.024 0.000 1.248 271 F CB -0.446 38.567 39.000 0.022 0.000 0.999 271 F HN -0.103 nan 8.300 nan 0.000 0.475 272 D N 0.227 120.637 120.400 0.017 0.000 2.123 272 D HA -0.178 4.467 4.640 0.008 0.000 0.196 272 D C 2.433 178.675 176.300 -0.096 0.000 0.992 272 D CA 1.381 55.387 54.000 0.010 0.000 0.833 272 D CB -0.365 40.525 40.800 0.150 0.000 0.954 272 D HN 0.360 nan 8.370 nan 0.000 0.455 273 R N 0.423 120.867 120.500 -0.094 0.000 2.075 273 R HA -0.095 4.249 4.340 0.008 0.000 0.232 273 R C 1.806 178.032 176.300 -0.123 0.000 1.126 273 R CA 1.055 57.078 56.100 -0.127 0.000 0.963 273 R CB -0.093 30.119 30.300 -0.148 0.000 0.858 273 R HN 0.134 nan 8.270 nan 0.000 0.435 274 D N 0.148 120.439 120.400 -0.182 0.000 2.117 274 D HA -0.110 4.535 4.640 0.008 0.000 0.197 274 D C 1.956 178.011 176.300 -0.408 0.000 0.987 274 D CA 0.964 54.777 54.000 -0.312 0.000 0.829 274 D CB -0.138 40.555 40.800 -0.178 0.000 0.961 274 D HN -0.025 nan 8.370 nan 0.000 0.460 275 V N 0.002 119.689 119.914 -0.377 0.000 2.343 275 V HA -0.209 3.916 4.120 0.008 0.000 0.247 275 V C 2.083 178.001 176.094 -0.293 0.000 1.051 275 V CA 1.339 63.391 62.300 -0.413 0.000 1.036 275 V CB -0.585 30.511 31.823 -1.212 0.000 0.654 275 V HN 0.323 nan 8.190 nan 0.000 0.451 276 W N 1.280 122.317 121.300 -0.437 0.000 2.338 276 W HA -0.137 4.532 4.660 0.016 0.000 0.304 276 W C 2.296 178.698 176.519 -0.195 0.000 1.212 276 W CA 1.942 59.131 57.345 -0.260 0.000 1.264 276 W CB -0.512 28.846 29.460 -0.171 0.000 1.142 276 W HN 0.247 nan 8.180 nan 0.000 0.512 277 G N -1.068 107.815 108.800 0.139 0.000 2.404 277 G HA2 -0.322 3.643 3.960 0.008 0.000 0.215 277 G HA3 -0.322 3.643 3.960 0.008 0.000 0.215 277 G C 1.117 175.943 174.900 -0.124 0.000 1.174 277 G CA 1.124 46.222 45.100 -0.003 0.000 0.780 277 G HN 0.307 nan 8.290 nan 0.000 0.537 278 Y N 0.731 121.044 120.300 0.022 0.000 2.224 278 Y HA 0.014 4.569 4.550 0.009 0.000 0.289 278 Y C 2.694 178.578 175.900 -0.027 0.000 1.146 278 Y CA 0.323 58.458 58.100 0.059 0.000 1.182 278 Y CB -0.405 38.212 38.460 0.262 0.000 0.983 278 Y HN 0.149 nan 8.280 nan 0.000 0.524 279 I N -0.755 119.868 120.570 0.088 0.000 2.252 279 I HA -0.284 3.891 4.170 0.008 0.000 0.245 279 I C 2.528 178.513 176.117 -0.219 0.000 1.102 279 I CA 1.081 62.350 61.300 -0.052 0.000 1.385 279 I CB -0.563 37.338 38.000 -0.164 0.000 1.064 279 I HN 0.156 nan 8.210 nan 0.000 0.414 280 A N 0.748 123.368 122.820 -0.334 0.000 1.933 280 A HA -0.127 4.198 4.320 0.008 0.000 0.218 280 A C 2.152 179.572 177.584 -0.273 0.000 1.175 280 A CA 1.316 53.128 52.037 -0.375 0.000 0.628 280 A CB -0.723 18.013 19.000 -0.439 0.000 0.814 280 A HN 0.433 nan 8.150 nan 0.000 0.444 281 L N -0.777 120.280 121.223 -0.276 0.000 2.599 281 L HA 0.023 4.368 4.340 0.008 0.000 0.230 281 L C 0.127 176.729 176.870 -0.448 0.000 1.141 281 L CA 0.019 54.638 54.840 -0.368 0.000 0.877 281 L CB -0.434 41.292 42.059 -0.556 0.000 1.009 281 L HN 0.435 nan 8.230 nan 0.000 0.447 282 N N -0.560 117.926 118.700 -0.356 0.000 2.776 282 N HA -0.220 4.524 4.740 0.008 0.000 0.250 282 N C 0.620 176.026 175.510 -0.174 0.000 1.112 282 N CA 0.696 53.532 53.050 -0.358 0.000 0.733 282 N CB -1.179 36.905 38.487 -0.671 0.000 1.097 282 N HN 0.441 nan 8.380 nan 0.000 0.558 283 H N -1.158 117.879 119.070 -0.055 0.000 2.512 283 H HA 0.230 4.791 4.556 0.008 0.000 0.279 283 H C 0.560 175.625 175.328 -0.438 0.000 0.999 283 H CA 0.610 56.540 56.048 -0.196 0.000 1.283 283 H CB 0.213 29.785 29.762 -0.318 0.000 1.421 283 H HN 0.280 nan 8.280 nan 0.000 0.554 284 F N 0.931 120.897 119.950 0.026 0.000 2.546 284 F HA 0.354 4.886 4.527 0.008 0.000 0.320 284 F C 0.333 176.111 175.800 -0.037 0.000 1.076 284 F CA -1.039 56.940 58.000 -0.035 0.000 0.928 284 F CB 2.021 40.996 39.000 -0.042 0.000 1.189 284 F HN -0.168 nan 8.300 nan 0.000 0.465 285 K N 0.682 121.205 120.400 0.205 0.000 2.433 285 K HA 0.565 4.889 4.320 0.008 0.000 0.252 285 K C -1.384 175.294 176.600 0.131 0.000 1.015 285 K CA -1.323 55.037 56.287 0.121 0.000 0.860 285 K CB 1.438 33.990 32.500 0.087 0.000 1.359 285 K HN 0.404 nan 8.250 nan 0.000 0.452 286 Q N 2.027 121.894 119.800 0.112 0.000 2.289 286 Q HA 0.036 4.381 4.340 0.008 0.000 0.273 286 Q C -0.718 175.327 176.000 0.075 0.000 1.029 286 Q CA 0.348 56.205 55.803 0.090 0.000 0.896 286 Q CB 0.858 29.642 28.738 0.078 0.000 1.182 286 Q HN 0.503 nan 8.270 nan 0.000 0.385 287 K N 3.028 123.475 120.400 0.077 0.000 2.412 287 K HA 0.161 4.486 4.320 0.008 0.000 0.281 287 K C -0.391 176.226 176.600 0.028 0.000 1.027 287 K CA 0.492 56.824 56.287 0.074 0.000 0.989 287 K CB 0.049 32.601 32.500 0.088 0.000 0.935 287 K HN 0.879 nan 8.250 nan 0.000 0.475 288 T N 2.532 117.099 114.554 0.021 0.000 2.905 288 T HA 0.325 4.679 4.350 0.008 0.000 0.299 288 T C 0.286 174.977 174.700 -0.015 0.000 1.024 288 T CA 0.771 62.861 62.100 -0.016 0.000 1.151 288 T CB -0.375 68.494 68.868 0.002 0.000 0.987 288 T HN 0.645 nan 8.240 nan 0.000 0.535 300 H N 0.263 119.332 119.070 -0.000 0.000 2.457 300 H HA 0.421 4.981 4.556 0.008 0.000 0.335 300 H C 0.271 175.595 175.328 -0.008 0.000 1.115 300 H CA -0.320 55.725 56.048 -0.004 0.000 1.219 300 H CB 1.637 31.404 29.762 0.007 0.000 1.471 300 H HN 0.103 nan 8.280 nan 0.000 0.491 301 K N 1.522 121.956 120.400 0.057 0.000 2.401 301 K HA 0.199 4.524 4.320 0.008 0.000 0.278 301 K C -0.322 176.304 176.600 0.043 0.000 1.018 301 K CA -0.323 55.972 56.287 0.015 0.000 0.981 301 K CB 1.210 33.687 32.500 -0.038 0.000 0.933 301 K HN 0.234 nan 8.250 nan 0.000 0.477 302 V N 3.812 123.746 119.914 0.033 0.000 2.407 302 V HA 0.102 4.227 4.120 0.008 0.000 0.278 302 V C -0.372 175.734 176.094 0.021 0.000 1.037 302 V CA -0.623 61.706 62.300 0.048 0.000 0.900 302 V CB 1.036 32.902 31.823 0.072 0.000 0.983 302 V HN 0.778 nan 8.190 nan 0.000 0.459 303 N N 7.636 126.359 118.700 0.038 0.000 2.430 303 N HA 0.390 5.135 4.740 0.008 0.000 0.265 303 N C -1.625 173.936 175.510 0.086 0.000 1.100 303 N CA -1.302 51.767 53.050 0.032 0.000 0.961 303 N CB 1.330 39.841 38.487 0.040 0.000 1.075 303 N HN 0.567 nan 8.380 nan 0.000 0.478 304 P HA -0.041 nan 4.420 nan 0.000 0.249 304 P C 1.246 178.732 177.300 0.310 0.000 1.241 304 P CA 0.043 63.289 63.100 0.244 0.000 0.781 304 P CB 0.056 31.801 31.700 0.075 0.000 1.088 305 I N 1.824 122.503 120.570 0.181 0.000 2.229 305 I HA -0.277 3.898 4.170 0.008 0.000 0.250 305 I C 1.463 177.635 176.117 0.092 0.000 1.096 305 I CA 1.873 63.256 61.300 0.137 0.000 1.358 305 I CB -0.613 37.439 38.000 0.087 0.000 1.047 305 I HN -0.120 nan 8.210 nan 0.000 0.422 306 D N -0.142 120.272 120.400 0.023 0.000 2.144 306 D HA -0.187 4.457 4.640 0.008 0.000 0.200 306 D C 2.134 178.305 176.300 -0.214 0.000 0.978 306 D CA 1.589 55.497 54.000 -0.153 0.000 0.833 306 D CB -0.375 40.235 40.800 -0.316 0.000 0.961 306 D HN 0.433 nan 8.370 nan 0.000 0.470 307 F N 1.516 121.496 119.950 0.050 0.000 2.259 307 F HA 0.004 4.534 4.527 0.006 0.000 0.298 307 F C 2.431 178.255 175.800 0.039 0.000 1.088 307 F CA 0.626 58.650 58.000 0.041 0.000 1.358 307 F CB -0.256 38.758 39.000 0.024 0.000 1.040 307 F HN -0.100 nan 8.300 nan 0.000 0.505 308 E N -0.003 120.337 120.200 0.234 0.000 2.107 308 E HA -0.188 4.166 4.350 0.008 0.000 0.191 308 E C 2.044 178.671 176.600 0.044 0.000 0.982 308 E CA 0.833 57.308 56.400 0.125 0.000 0.809 308 E CB -0.302 29.500 29.700 0.170 0.000 0.756 308 E HN 0.318 nan 8.360 nan 0.000 0.459 309 N N 0.714 119.431 118.700 0.029 0.000 2.120 309 N HA -0.165 4.580 4.740 0.008 0.000 0.188 309 N C 1.922 177.394 175.510 -0.063 0.000 1.024 309 N CA 1.306 54.342 53.050 -0.023 0.000 0.852 309 N CB -0.001 38.459 38.487 -0.044 0.000 1.003 309 N HN 0.012 nan 8.380 nan 0.000 0.424 310 S N 0.751 116.422 115.700 -0.049 0.000 2.356 310 S HA -0.176 4.299 4.470 0.008 0.000 0.223 310 S C 1.834 176.423 174.600 -0.019 0.000 1.032 310 S CA 1.564 59.740 58.200 -0.039 0.000 1.005 310 S CB -0.454 62.751 63.200 0.008 0.000 0.867 310 S HN 0.498 nan 8.310 nan 0.000 0.449 311 E N -0.015 120.187 120.200 0.003 0.000 2.058 311 E HA -0.124 4.231 4.350 0.008 0.000 0.194 311 E C 2.121 178.686 176.600 -0.059 0.000 0.997 311 E CA 1.353 57.740 56.400 -0.022 0.000 0.801 311 E CB -0.855 28.821 29.700 -0.040 0.000 0.746 311 E HN 0.622 nan 8.360 nan 0.000 0.450 312 G N 0.876 109.639 108.800 -0.061 0.000 2.421 312 G HA2 -0.273 3.692 3.960 0.008 0.000 0.216 312 G HA3 -0.273 3.692 3.960 0.008 0.000 0.216 312 G C 1.539 176.373 174.900 -0.110 0.000 1.171 312 G CA 0.809 45.862 45.100 -0.078 0.000 0.775 312 G HN 0.231 nan 8.290 nan 0.000 0.543 313 N N 0.254 118.893 118.700 -0.102 0.000 2.331 313 N HA 0.026 4.771 4.740 0.008 0.000 0.180 313 N C 2.266 177.696 175.510 -0.133 0.000 1.019 313 N CA 0.460 53.441 53.050 -0.116 0.000 0.881 313 N CB -0.030 38.401 38.487 -0.094 0.000 0.972 313 N HN 0.287 nan 8.380 nan 0.000 0.435 314 L N 0.217 121.381 121.223 -0.098 0.000 2.156 314 L HA -0.026 4.319 4.340 0.008 0.000 0.208 314 L C 2.476 179.289 176.870 -0.095 0.000 1.095 314 L CA 0.951 55.750 54.840 -0.068 0.000 0.770 314 L CB -0.618 41.434 42.059 -0.011 0.000 0.914 314 L HN 0.153 nan 8.230 nan 0.000 0.439 315 G N 0.026 108.754 108.800 -0.120 0.000 2.402 315 G HA2 -0.193 3.771 3.960 0.008 0.000 0.216 315 G HA3 -0.193 3.771 3.960 0.008 0.000 0.216 315 G C 1.637 176.420 174.900 -0.196 0.000 1.162 315 G CA 0.407 45.428 45.100 -0.131 0.000 0.777 315 G HN 0.197 nan 8.290 nan 0.000 0.539 316 L N 0.585 121.616 121.223 -0.320 0.000 2.056 316 L HA -0.073 4.272 4.340 0.008 0.000 0.207 316 L C 3.144 179.734 176.870 -0.466 0.000 1.078 316 L CA 1.259 55.767 54.840 -0.554 0.000 0.749 316 L CB -0.349 41.039 42.059 -1.119 0.000 0.901 316 L HN 0.369 nan 8.230 nan 0.000 0.433 317 S N 0.280 115.802 115.700 -0.297 0.000 2.353 317 S HA -0.213 4.261 4.470 0.008 0.000 0.222 317 S C 1.842 176.383 174.600 -0.098 0.000 1.035 317 S CA 1.949 60.095 58.200 -0.089 0.000 1.025 317 S CB -0.223 62.949 63.200 -0.045 0.000 0.902 317 S HN 0.426 nan 8.310 nan 0.000 0.440 318 N N 1.725 120.374 118.700 -0.084 0.000 2.166 318 N HA 0.045 4.790 4.740 0.008 0.000 0.186 318 N C 1.840 177.322 175.510 -0.048 0.000 1.019 318 N CA 1.332 54.353 53.050 -0.049 0.000 0.856 318 N CB -0.886 37.585 38.487 -0.026 0.000 0.993 318 N HN 0.527 nan 8.380 nan 0.000 0.426 319 A N 0.302 123.075 122.820 -0.078 0.000 1.902 319 A HA -0.095 4.229 4.320 0.008 0.000 0.217 319 A C 2.411 179.984 177.584 -0.018 0.000 1.181 319 A CA 1.475 53.478 52.037 -0.058 0.000 0.623 319 A CB -0.740 18.197 19.000 -0.105 0.000 0.818 319 A HN 0.112 nan 8.150 nan 0.000 0.443 320 V N -0.462 119.429 119.914 -0.038 0.000 2.323 320 V HA -0.164 3.960 4.120 0.008 0.000 0.244 320 V C 2.456 178.556 176.094 0.009 0.000 1.041 320 V CA 1.563 63.869 62.300 0.011 0.000 1.025 320 V CB -0.779 31.058 31.823 0.024 0.000 0.656 320 V HN 0.444 nan 8.190 nan 0.000 0.451 321 L N 0.240 121.403 121.223 -0.101 0.000 2.042 321 L HA -0.188 4.156 4.340 0.008 0.000 0.210 321 L C 2.547 179.464 176.870 0.077 0.000 1.076 321 L CA 1.841 56.575 54.840 -0.176 0.000 0.749 321 L CB -1.276 40.606 42.059 -0.294 0.000 0.893 321 L HN 0.384 nan 8.230 nan 0.000 0.432 322 Q N -0.806 119.027 119.800 0.056 0.000 2.050 322 Q HA -0.277 4.068 4.340 0.008 0.000 0.202 322 Q C 2.331 178.383 176.000 0.086 0.000 0.980 322 Q CA 2.125 57.973 55.803 0.075 0.000 0.840 322 Q CB -0.280 28.488 28.738 0.050 0.000 0.898 322 Q HN 0.655 nan 8.270 nan 0.000 0.424 323 H N -0.107 118.973 119.070 0.017 0.000 2.321 323 H HA -0.091 4.453 4.556 -0.020 0.000 0.300 323 H C 1.904 177.245 175.328 0.021 0.000 1.087 323 H CA 1.840 57.894 56.048 0.009 0.000 1.319 323 H CB -0.203 29.556 29.762 -0.006 0.000 1.379 323 H HN 0.178 nan 8.280 nan 0.000 0.501 324 L N 0.306 121.516 121.223 -0.022 0.000 2.083 324 L HA -0.062 4.282 4.340 0.008 0.000 0.209 324 L C 2.736 179.551 176.870 -0.092 0.000 1.083 324 L CA 1.684 56.485 54.840 -0.065 0.000 0.752 324 L CB -1.128 41.026 42.059 0.158 0.000 0.899 324 L HN 0.475 nan 8.230 nan 0.000 0.433 325 A N -0.960 121.877 122.820 0.029 0.000 1.902 325 A HA -0.210 4.114 4.320 0.008 0.000 0.217 325 A C 2.494 180.037 177.584 -0.069 0.000 1.181 325 A CA 2.069 54.097 52.037 -0.015 0.000 0.623 325 A CB -0.761 18.289 19.000 0.083 0.000 0.818 325 A HN 0.528 nan 8.150 nan 0.000 0.443 326 S N -1.344 114.305 115.700 -0.084 0.000 2.458 326 S HA 0.027 4.501 4.470 0.008 0.000 0.223 326 S C 1.856 176.373 174.600 -0.138 0.000 1.019 326 S CA 1.038 59.185 58.200 -0.088 0.000 0.937 326 S CB 0.013 63.180 63.200 -0.055 0.000 0.788 326 S HN 0.470 nan 8.310 nan 0.000 0.511 327 K N 1.550 121.799 120.400 -0.251 0.000 2.168 327 K HA 0.265 4.590 4.320 0.008 0.000 0.201 327 K C 2.047 178.543 176.600 -0.172 0.000 1.049 327 K CA 0.488 56.622 56.287 -0.256 0.000 0.974 327 K CB -0.547 31.660 32.500 -0.488 0.000 0.792 327 K HN 0.432 nan 8.250 nan 0.000 0.463 328 L N 1.285 122.393 121.223 -0.193 0.000 2.043 328 L HA -0.149 4.195 4.340 0.008 0.000 0.212 328 L C -0.742 176.139 176.870 0.019 0.000 1.075 328 L CA 1.458 56.205 54.840 -0.155 0.000 0.752 328 L CB -1.313 40.555 42.059 -0.318 0.000 0.891 328 L HN 0.137 nan 8.230 nan 0.000 0.432 329 P HA -0.040 nan 4.420 nan 0.000 0.239 329 P C -0.316 176.985 177.300 0.001 0.000 1.184 329 P CA 0.754 63.867 63.100 0.022 0.000 0.760 329 P CB 0.079 31.769 31.700 -0.015 0.000 0.884 330 V N -0.274 119.632 119.914 -0.014 0.000 2.328 330 V HA 0.423 4.548 4.120 0.008 0.000 0.278 330 V C 0.169 176.249 176.094 -0.024 0.000 1.021 330 V CA -0.203 62.079 62.300 -0.030 0.000 0.838 330 V CB 1.294 33.088 31.823 -0.049 0.000 0.999 330 V HN -0.118 nan 8.190 nan 0.000 0.447 331 S N 5.138 120.822 115.700 -0.026 0.000 2.677 331 S HA 0.487 4.962 4.470 0.008 0.000 0.283 331 S C -0.268 174.300 174.600 -0.054 0.000 1.159 331 S CA -0.879 57.307 58.200 -0.022 0.000 1.001 331 S CB 0.953 64.164 63.200 0.017 0.000 1.032 331 S HN 0.745 nan 8.310 nan 0.000 0.487 332 R N 3.722 124.156 120.500 -0.110 0.000 2.480 332 R HA 0.012 4.357 4.340 0.008 0.000 0.303 332 R C 0.466 176.739 176.300 -0.045 0.000 0.985 332 R CA 0.292 56.248 56.100 -0.241 0.000 1.051 332 R CB 0.032 30.105 30.300 -0.378 0.000 0.935 332 R HN 0.710 nan 8.270 nan 0.000 0.410 333 W N 0.808 122.104 121.300 -0.007 0.000 2.047 333 W HA -0.377 4.292 4.660 0.013 0.000 0.283 333 W C 1.443 177.954 176.519 -0.014 0.000 1.201 333 W CA 0.967 58.306 57.345 -0.010 0.000 1.140 333 W CB -1.409 28.046 29.460 -0.008 0.000 0.885 333 W HN 0.505 nan 8.180 nan 0.000 0.538 334 Q N 2.095 122.058 119.800 0.272 0.000 2.466 334 Q HA 0.100 4.445 4.340 0.008 0.000 0.210 334 Q C 0.340 176.393 176.000 0.089 0.000 0.961 334 Q CA 1.752 57.628 55.803 0.122 0.000 0.953 334 Q CB -0.207 28.572 28.738 0.069 0.000 1.011 334 Q HN 0.348 nan 8.270 nan 0.000 0.516 335 R N -1.906 118.660 120.500 0.109 0.000 7.602 335 R HA -0.015 4.330 4.340 0.008 0.000 0.231 335 R C -2.230 174.112 176.300 0.071 0.000 0.859 335 R CA -0.088 56.053 56.100 0.069 0.000 1.801 335 R CB -1.538 28.792 30.300 0.050 0.000 1.217 335 R HN 0.047 nan 8.270 nan 0.000 0.897 336 D N 2.314 122.738 120.400 0.041 0.000 2.374 336 D HA 0.412 5.056 4.640 0.008 0.000 0.239 336 D C 0.326 176.646 176.300 0.034 0.000 0.991 336 D CA -1.065 52.953 54.000 0.029 0.000 0.960 336 D CB 0.903 41.697 40.800 -0.011 0.000 1.284 336 D HN 0.345 nan 8.370 nan 0.000 0.512 337 L N 1.186 122.427 121.223 0.029 0.000 2.627 337 L HA 0.048 4.393 4.340 0.008 0.000 0.232 337 L C 1.894 178.777 176.870 0.022 0.000 1.150 337 L CA 0.729 55.587 54.840 0.030 0.000 0.917 337 L CB -1.391 40.682 42.059 0.024 0.000 1.104 337 L HN 0.797 nan 8.230 nan 0.000 0.445 338 T N -2.600 111.962 114.554 0.013 0.000 2.881 338 T HA -0.175 4.180 4.350 0.008 0.000 0.270 338 T C 1.396 176.096 174.700 -0.001 0.000 1.068 338 T CA 1.213 63.317 62.100 0.006 0.000 1.131 338 T CB -0.217 68.650 68.868 -0.001 0.000 0.871 338 T HN 0.413 nan 8.240 nan 0.000 0.479 339 D N 1.235 121.637 120.400 0.003 0.000 2.269 339 D HA -0.022 4.623 4.640 0.008 0.000 0.208 339 D C 2.200 178.481 176.300 -0.031 0.000 0.963 339 D CA 0.972 54.949 54.000 -0.038 0.000 0.864 339 D CB -0.696 40.102 40.800 -0.004 0.000 0.936 339 D HN 0.466 nan 8.370 nan 0.000 0.505 340 S N -0.321 115.391 115.700 0.020 0.000 2.353 340 S HA -0.214 4.261 4.470 0.008 0.000 0.222 340 S C 2.019 176.633 174.600 0.023 0.000 1.035 340 S CA 2.282 60.506 58.200 0.041 0.000 1.025 340 S CB -0.832 62.391 63.200 0.039 0.000 0.902 340 S HN 0.418 nan 8.310 nan 0.000 0.440 341 T N 0.641 115.203 114.554 0.013 0.000 2.904 341 T HA -0.003 4.352 4.350 0.008 0.000 0.267 341 T C 1.686 176.389 174.700 0.005 0.000 1.059 341 T CA 1.335 63.444 62.100 0.015 0.000 1.137 341 T CB -0.352 68.524 68.868 0.015 0.000 0.879 341 T HN 0.239 nan 8.240 nan 0.000 0.467 342 V N 1.469 121.375 119.914 -0.014 0.000 2.427 342 V HA -0.035 4.090 4.120 0.008 0.000 0.248 342 V C 2.511 178.565 176.094 -0.067 0.000 1.051 342 V CA 1.350 63.635 62.300 -0.025 0.000 1.048 342 V CB -0.568 31.228 31.823 -0.044 0.000 0.666 342 V HN 0.479 nan 8.190 nan 0.000 0.456 343 L N -0.362 120.784 121.223 -0.128 0.000 2.549 343 L HA -0.071 4.274 4.340 0.008 0.000 0.229 343 L C 2.429 179.255 176.870 -0.074 0.000 1.158 343 L CA 0.978 55.685 54.840 -0.222 0.000 0.842 343 L CB -0.467 41.321 42.059 -0.452 0.000 0.952 343 L HN 0.270 nan 8.230 nan 0.000 0.452 344 R N -0.209 120.297 120.500 0.009 0.000 2.307 344 R HA 0.024 4.369 4.340 0.008 0.000 0.199 344 R C 0.844 177.179 176.300 0.057 0.000 1.000 344 R CA 0.317 56.461 56.100 0.073 0.000 1.023 344 R CB -0.069 30.272 30.300 0.069 0.000 0.908 344 R HN 0.430 nan 8.270 nan 0.000 0.473 345 N N 0.503 119.211 118.700 0.013 0.000 2.238 345 N HA 0.080 4.825 4.740 0.008 0.000 0.222 345 N C 1.118 176.589 175.510 -0.065 0.000 1.133 345 N CA 0.043 53.086 53.050 -0.012 0.000 0.854 345 N CB 0.651 39.141 38.487 0.005 0.000 1.041 345 N HN 0.169 nan 8.380 nan 0.000 0.510 346 L N 0.070 121.256 121.223 -0.063 0.000 2.127 346 L HA -0.077 4.268 4.340 0.008 0.000 0.211 346 L C 2.269 178.747 176.870 -0.653 0.000 1.089 346 L CA 1.340 56.103 54.840 -0.127 0.000 0.757 346 L CB -0.327 41.757 42.059 0.041 0.000 0.899 346 L HN 0.206 nan 8.230 nan 0.000 0.434 347 G N -1.442 106.855 108.800 -0.837 0.000 2.880 347 G HA2 0.033 3.998 3.960 0.008 0.000 0.209 347 G HA3 0.033 3.998 3.960 0.008 0.000 0.209 347 G C 1.471 176.107 174.900 -0.441 0.000 1.157 347 G CA 0.129 44.593 45.100 -1.060 0.000 0.779 347 G HN 0.145 nan 8.290 nan 0.000 0.539 348 V N 1.468 121.204 119.914 -0.296 0.000 2.323 348 V HA -0.029 4.096 4.120 0.008 0.000 0.244 348 V C 3.090 179.060 176.094 -0.205 0.000 1.041 348 V CA 2.097 64.257 62.300 -0.233 0.000 1.025 348 V CB -0.887 30.871 31.823 -0.108 0.000 0.656 348 V HN 0.369 nan 8.190 nan 0.000 0.451 349 G N 0.057 108.743 108.800 -0.191 0.000 2.422 349 G HA2 -0.209 3.756 3.960 0.008 0.000 0.218 349 G HA3 -0.209 3.756 3.960 0.008 0.000 0.218 349 G C 1.461 176.232 174.900 -0.216 0.000 1.146 349 G CA 0.994 45.996 45.100 -0.163 0.000 0.769 349 G HN 0.441 nan 8.290 nan 0.000 0.547 350 I N 1.813 122.183 120.570 -0.333 0.000 2.315 350 I HA 0.049 4.224 4.170 0.008 0.000 0.248 350 I C 2.965 178.966 176.117 -0.194 0.000 1.117 350 I CA 0.933 62.087 61.300 -0.244 0.000 1.404 350 I CB -0.772 37.079 38.000 -0.249 0.000 1.071 350 I HN 0.153 nan 8.210 nan 0.000 0.419 351 G N -0.535 108.127 108.800 -0.230 0.000 2.418 351 G HA2 -0.278 3.686 3.960 0.008 0.000 0.217 351 G HA3 -0.278 3.686 3.960 0.008 0.000 0.217 351 G C 1.626 176.368 174.900 -0.264 0.000 1.158 351 G CA 0.638 45.596 45.100 -0.236 0.000 0.771 351 G HN 0.288 nan 8.290 nan 0.000 0.545 352 Y N 1.365 121.552 120.300 -0.189 0.000 2.224 352 Y HA 0.019 4.579 4.550 0.017 0.000 0.289 352 Y C 3.129 178.839 175.900 -0.317 0.000 1.146 352 Y CA 0.670 58.644 58.100 -0.209 0.000 1.182 352 Y CB -0.588 37.772 38.460 -0.167 0.000 0.983 352 Y HN 0.269 nan 8.280 nan 0.000 0.524 353 A N 0.151 122.838 122.820 -0.221 0.000 1.877 353 A HA -0.151 4.174 4.320 0.008 0.000 0.216 353 A C 2.283 179.231 177.584 -1.060 0.000 1.186 353 A CA 1.624 53.305 52.037 -0.593 0.000 0.620 353 A CB -1.113 17.625 19.000 -0.437 0.000 0.822 353 A HN 0.447 nan 8.150 nan 0.000 0.443 354 L N -0.576 120.253 121.223 -0.657 0.000 2.042 354 L HA -0.217 4.128 4.340 0.008 0.000 0.210 354 L C 2.511 179.097 176.870 -0.472 0.000 1.076 354 L CA 1.426 55.925 54.840 -0.568 0.000 0.749 354 L CB -0.725 41.160 42.059 -0.290 0.000 0.893 354 L HN 0.389 nan 8.230 nan 0.000 0.432 355 I N 0.088 120.444 120.570 -0.356 0.000 2.226 355 I HA -0.279 3.896 4.170 0.008 0.000 0.245 355 I C 2.833 178.778 176.117 -0.287 0.000 1.100 355 I CA 1.226 62.339 61.300 -0.310 0.000 1.374 355 I CB -0.458 37.321 38.000 -0.369 0.000 1.057 355 I HN 0.201 nan 8.210 nan 0.000 0.413 356 A N 0.336 122.976 122.820 -0.299 0.000 1.898 356 A HA -0.203 4.121 4.320 0.008 0.000 0.216 356 A C 2.155 179.724 177.584 -0.025 0.000 1.181 356 A CA 1.388 53.319 52.037 -0.176 0.000 0.620 356 A CB -0.866 18.040 19.000 -0.157 0.000 0.819 356 A HN 0.360 nan 8.150 nan 0.000 0.442 357 Y N 0.305 120.561 120.300 -0.073 0.000 2.165 357 Y HA -0.224 4.330 4.550 0.007 0.000 0.286 357 Y C 2.627 178.502 175.900 -0.041 0.000 1.155 357 Y CA 1.236 59.320 58.100 -0.028 0.000 1.164 357 Y CB -1.198 37.204 38.460 -0.096 0.000 0.978 357 Y HN 0.456 nan 8.280 nan 0.000 0.513 358 Q N -0.706 119.102 119.800 0.014 0.000 2.119 358 Q HA -0.132 4.213 4.340 0.008 0.000 0.201 358 Q C 2.456 178.460 176.000 0.006 0.000 0.972 358 Q CA 1.667 57.496 55.803 0.043 0.000 0.847 358 Q CB -0.237 28.499 28.738 -0.004 0.000 0.903 358 Q HN 0.333 nan 8.270 nan 0.000 0.433 359 S N 0.001 115.668 115.700 -0.056 0.000 2.368 359 S HA -0.125 4.350 4.470 0.008 0.000 0.224 359 S C 2.022 176.517 174.600 -0.176 0.000 1.029 359 S CA 1.525 59.659 58.200 -0.109 0.000 0.988 359 S CB -0.272 62.848 63.200 -0.133 0.000 0.838 359 S HN 0.410 nan 8.310 nan 0.000 0.462 360 T N 2.775 117.269 114.554 -0.099 0.000 2.777 360 T HA 0.070 4.424 4.350 0.008 0.000 0.266 360 T C 1.748 176.400 174.700 -0.079 0.000 1.040 360 T CA 0.833 62.850 62.100 -0.138 0.000 1.141 360 T CB -0.369 68.586 68.868 0.146 0.000 0.868 360 T HN 0.236 nan 8.240 nan 0.000 0.444 361 L N 0.723 121.970 121.223 0.039 0.000 2.083 361 L HA -0.115 4.230 4.340 0.008 0.000 0.209 361 L C 2.696 179.575 176.870 0.015 0.000 1.083 361 L CA 1.388 56.272 54.840 0.074 0.000 0.752 361 L CB -0.442 41.699 42.059 0.137 0.000 0.899 361 L HN 0.225 nan 8.230 nan 0.000 0.433 362 K N 0.173 120.551 120.400 -0.035 0.000 2.026 362 K HA -0.145 4.180 4.320 0.008 0.000 0.208 362 K C 2.054 178.592 176.600 -0.103 0.000 1.048 362 K CA 1.442 57.700 56.287 -0.048 0.000 0.929 362 K CB -0.301 32.168 32.500 -0.052 0.000 0.713 362 K HN 0.310 nan 8.250 nan 0.000 0.439 363 G N 0.479 109.097 108.800 -0.302 0.000 2.418 363 G HA2 -0.195 3.770 3.960 0.008 0.000 0.217 363 G HA3 -0.195 3.770 3.960 0.008 0.000 0.217 363 G C 1.478 176.363 174.900 -0.025 0.000 1.158 363 G CA 0.788 45.617 45.100 -0.453 0.000 0.771 363 G HN 0.204 nan 8.290 nan 0.000 0.545 364 V N 1.964 121.908 119.914 0.049 0.000 2.392 364 V HA -0.199 3.926 4.120 0.008 0.000 0.249 364 V C 3.154 179.338 176.094 0.150 0.000 1.059 364 V CA 2.259 64.704 62.300 0.242 0.000 1.051 364 V CB -0.436 31.532 31.823 0.241 0.000 0.658 364 V HN 0.612 nan 8.190 nan 0.000 0.455 365 S N -0.496 115.259 115.700 0.091 0.000 2.547 365 S HA -0.104 4.371 4.470 0.008 0.000 0.235 365 S C 1.566 176.214 174.600 0.080 0.000 0.980 365 S CA 0.894 59.141 58.200 0.078 0.000 0.941 365 S CB -0.325 62.908 63.200 0.054 0.000 0.763 365 S HN 0.695 nan 8.310 nan 0.000 0.532 366 K N 0.294 120.749 120.400 0.092 0.000 2.353 366 K HA 0.352 4.677 4.320 0.008 0.000 0.195 366 K C -0.124 176.537 176.600 0.102 0.000 1.031 366 K CA -0.146 56.195 56.287 0.090 0.000 1.079 366 K CB 0.177 32.730 32.500 0.089 0.000 0.857 366 K HN 0.364 nan 8.250 nan 0.000 0.535 367 L N 2.044 123.326 121.223 0.099 0.000 2.380 367 L HA 0.173 4.518 4.340 0.008 0.000 0.273 367 L C -0.186 176.805 176.870 0.203 0.000 1.138 367 L CA -0.137 54.733 54.840 0.049 0.000 0.832 367 L CB 0.485 42.435 42.059 -0.183 0.000 1.124 367 L HN 0.022 nan 8.230 nan 0.000 0.454 368 E N 2.412 122.775 120.200 0.272 0.000 2.291 368 E HA 0.333 4.687 4.350 0.008 0.000 0.276 368 E C -1.018 175.725 176.600 0.238 0.000 0.896 368 E CA -0.702 55.868 56.400 0.282 0.000 0.774 368 E CB 1.882 31.696 29.700 0.190 0.000 1.227 368 E HN 0.289 nan 8.360 nan 0.000 0.413 369 V N 2.308 122.180 119.914 -0.069 0.000 2.811 369 V HA 0.361 4.486 4.120 0.008 0.000 0.302 369 V C 0.162 176.165 176.094 -0.152 0.000 1.063 369 V CA -0.316 61.783 62.300 -0.334 0.000 1.088 369 V CB 1.098 32.459 31.823 -0.770 0.000 0.982 369 V HN 0.804 nan 8.190 nan 0.000 0.485 370 N N 2.746 121.354 118.700 -0.152 0.000 3.105 370 N HA 0.260 5.005 4.740 0.008 0.000 0.256 370 N C 1.227 176.707 175.510 -0.050 0.000 1.174 370 N CA -0.479 52.548 53.050 -0.039 0.000 1.030 370 N CB 0.190 38.685 38.487 0.014 0.000 1.305 370 N HN 0.844 nan 8.380 nan 0.000 0.509 371 R N 1.898 122.356 120.500 -0.069 0.000 2.096 371 R HA -0.180 4.165 4.340 0.008 0.000 0.240 371 R C 0.645 176.925 176.300 -0.034 0.000 1.139 371 R CA 1.927 57.983 56.100 -0.073 0.000 0.952 371 R CB 0.045 30.320 30.300 -0.042 0.000 0.854 371 R HN 0.552 nan 8.270 nan 0.000 0.436 372 D N -0.789 119.615 120.400 0.008 0.000 2.123 372 D HA -0.200 4.445 4.640 0.008 0.000 0.196 372 D C 1.790 178.115 176.300 0.041 0.000 0.992 372 D CA 1.550 55.566 54.000 0.026 0.000 0.833 372 D CB -0.399 40.426 40.800 0.042 0.000 0.954 372 D HN 0.449 nan 8.370 nan 0.000 0.455 373 H N 0.601 119.656 119.070 -0.025 0.000 2.357 373 H HA 0.029 4.590 4.556 0.008 0.000 0.301 373 H C 2.265 177.588 175.328 -0.008 0.000 1.082 373 H CA 1.047 57.089 56.048 -0.010 0.000 1.342 373 H CB -0.416 29.348 29.762 0.003 0.000 1.389 373 H HN 0.016 nan 8.280 nan 0.000 0.511 374 L N -0.284 120.868 121.223 -0.119 0.000 2.012 374 L HA -0.200 4.145 4.340 0.008 0.000 0.210 374 L C 2.495 179.236 176.870 -0.215 0.000 1.073 374 L CA 1.264 55.949 54.840 -0.259 0.000 0.748 374 L CB -0.407 41.470 42.059 -0.302 0.000 0.891 374 L HN 0.320 nan 8.230 nan 0.000 0.431 375 L N -0.840 120.303 121.223 -0.134 0.000 2.093 375 L HA -0.213 4.132 4.340 0.008 0.000 0.208 375 L C 2.406 179.252 176.870 -0.040 0.000 1.085 375 L CA 1.231 56.022 54.840 -0.083 0.000 0.755 375 L CB -0.661 41.372 42.059 -0.044 0.000 0.904 375 L HN 0.401 nan 8.230 nan 0.000 0.435 376 D N 0.360 120.736 120.400 -0.039 0.000 2.117 376 D HA -0.260 4.385 4.640 0.008 0.000 0.197 376 D C 1.955 178.285 176.300 0.050 0.000 0.987 376 D CA 1.357 55.379 54.000 0.037 0.000 0.829 376 D CB 0.241 41.040 40.800 -0.002 0.000 0.961 376 D HN 0.404 nan 8.370 nan 0.000 0.460 377 E N 0.175 120.285 120.200 -0.150 0.000 2.077 377 E HA -0.167 4.188 4.350 0.008 0.000 0.193 377 E C 2.656 179.253 176.600 -0.005 0.000 0.989 377 E CA 0.557 56.878 56.400 -0.131 0.000 0.800 377 E CB -0.099 29.456 29.700 -0.243 0.000 0.746 377 E HN 0.305 nan 8.360 nan 0.000 0.452 378 L N 0.850 122.037 121.223 -0.060 0.000 2.042 378 L HA -0.202 4.143 4.340 0.008 0.000 0.210 378 L C 2.298 179.131 176.870 -0.062 0.000 1.076 378 L CA 1.560 56.348 54.840 -0.086 0.000 0.749 378 L CB -0.292 41.683 42.059 -0.140 0.000 0.893 378 L HN 0.190 nan 8.230 nan 0.000 0.432 379 D N -1.229 119.203 120.400 0.053 0.000 2.384 379 D HA -0.166 4.479 4.640 0.008 0.000 0.222 379 D C 1.189 177.635 176.300 0.243 0.000 0.976 379 D CA 0.944 55.049 54.000 0.176 0.000 0.915 379 D CB 0.110 41.028 40.800 0.197 0.000 0.896 379 D HN 0.387 nan 8.370 nan 0.000 0.523 380 H N -1.168 117.989 119.070 0.145 0.000 2.592 380 H HA 0.385 4.946 4.556 0.008 0.000 0.279 380 H C -0.164 175.252 175.328 0.147 0.000 1.089 380 H CA -0.192 55.954 56.048 0.162 0.000 1.150 380 H CB 0.336 30.142 29.762 0.074 0.000 1.575 380 H HN -0.016 nan 8.280 nan 0.000 0.547 381 N N -0.072 118.742 118.700 0.190 0.000 2.672 381 N HA -0.019 4.725 4.740 0.008 0.000 0.295 381 N C -0.253 175.279 175.510 0.037 0.000 1.924 381 N CA -0.024 53.088 53.050 0.102 0.000 0.851 381 N CB 0.134 38.640 38.487 0.032 0.000 1.281 381 N HN 0.338 nan 8.380 nan 0.000 0.494 382 W N 0.995 122.285 121.300 -0.017 0.000 2.721 382 W HA 0.004 4.669 4.660 0.008 0.000 0.245 382 W C 1.619 178.117 176.519 -0.036 0.000 1.276 382 W CA 0.271 57.598 57.345 -0.031 0.000 1.342 382 W CB 0.218 29.649 29.460 -0.048 0.000 1.135 382 W HN 0.238 nan 8.180 nan 0.000 0.654 383 E N -0.156 120.122 120.200 0.129 0.000 2.265 383 E HA -0.186 4.169 4.350 0.008 0.000 0.196 383 E C 2.308 178.920 176.600 0.021 0.000 0.996 383 E CA 1.616 58.052 56.400 0.060 0.000 0.832 383 E CB -0.843 28.885 29.700 0.047 0.000 0.756 383 E HN 0.266 nan 8.360 nan 0.000 0.491 384 V N -1.353 118.563 119.914 0.004 0.000 2.720 384 V HA -0.135 3.990 4.120 0.008 0.000 0.256 384 V C 1.744 177.817 176.094 -0.035 0.000 1.082 384 V CA 1.280 63.586 62.300 0.009 0.000 1.101 384 V CB -0.647 31.190 31.823 0.023 0.000 0.693 384 V HN 0.214 nan 8.190 nan 0.000 0.479 385 L N 0.417 121.578 121.223 -0.103 0.000 2.610 385 L HA 0.187 4.532 4.340 0.008 0.000 0.232 385 L C 2.791 179.577 176.870 -0.141 0.000 1.149 385 L CA 0.706 55.413 54.840 -0.221 0.000 0.872 385 L CB -0.742 41.226 42.059 -0.151 0.000 0.992 385 L HN 0.417 nan 8.230 nan 0.000 0.447 386 A N 0.409 123.188 122.820 -0.068 0.000 1.933 386 A HA -0.241 4.084 4.320 0.008 0.000 0.218 386 A C 2.283 179.847 177.584 -0.033 0.000 1.175 386 A CA 1.711 53.717 52.037 -0.051 0.000 0.628 386 A CB -0.302 18.671 19.000 -0.046 0.000 0.814 386 A HN 0.495 nan 8.150 nan 0.000 0.444 387 E N -0.001 120.185 120.200 -0.023 0.000 2.023 387 E HA -0.171 4.183 4.350 0.008 0.000 0.196 387 E C -0.539 176.063 176.600 0.003 0.000 1.003 387 E CA 1.608 58.023 56.400 0.024 0.000 0.809 387 E CB -0.643 29.123 29.700 0.110 0.000 0.755 387 E HN 0.484 nan 8.360 nan 0.000 0.449 388 P HA -0.137 nan 4.420 nan 0.000 0.218 388 P C 1.571 178.849 177.300 -0.038 0.000 1.149 388 P CA 1.240 64.272 63.100 -0.113 0.000 0.817 388 P CB -0.147 31.273 31.700 -0.467 0.000 0.785 389 I N -0.127 120.421 120.570 -0.037 0.000 2.286 389 I HA -0.215 3.960 4.170 0.008 0.000 0.248 389 I C 2.959 179.130 176.117 0.090 0.000 1.115 389 I CA 1.290 62.620 61.300 0.051 0.000 1.392 389 I CB -0.687 37.375 38.000 0.103 0.000 1.065 389 I HN 0.013 nan 8.210 nan 0.000 0.418 390 Q N 0.839 120.682 119.800 0.071 0.000 2.079 390 Q HA -0.203 4.142 4.340 0.008 0.000 0.200 390 Q C 2.278 178.325 176.000 0.077 0.000 0.974 390 Q CA 2.522 58.373 55.803 0.080 0.000 0.840 390 Q CB -0.097 28.677 28.738 0.059 0.000 0.898 390 Q HN 0.623 nan 8.270 nan 0.000 0.430 391 T N -1.818 112.778 114.554 0.069 0.000 2.821 391 T HA 0.010 4.364 4.350 0.008 0.000 0.267 391 T C 1.398 176.149 174.700 0.086 0.000 1.046 391 T CA 0.679 62.820 62.100 0.067 0.000 1.139 391 T CB -0.538 68.370 68.868 0.067 0.000 0.871 391 T HN -0.006 nan 8.240 nan 0.000 0.454 395 R N 0.055 120.544 120.500 -0.018 0.000 2.096 395 R HA -0.088 4.257 4.340 0.008 0.000 0.235 395 R C 0.436 176.518 176.300 -0.363 0.000 1.127 395 R CA 1.849 57.830 56.100 -0.200 0.000 0.968 395 R CB -0.137 29.991 30.300 -0.286 0.000 0.861 395 R HN 0.285 nan 8.270 nan 0.000 0.440 396 Y N -0.266 120.039 120.300 0.008 0.000 2.495 396 Y HA 0.285 4.840 4.550 0.008 0.000 0.293 396 Y C 1.239 177.140 175.900 0.001 0.000 1.186 396 Y CA 0.352 58.453 58.100 0.002 0.000 1.266 396 Y CB 0.730 39.189 38.460 -0.002 0.000 1.101 396 Y HN 0.385 nan 8.280 nan 0.000 0.517 397 G N 0.938 109.774 108.800 0.061 0.000 2.179 397 G HA2 -0.320 3.644 3.960 0.008 0.000 0.257 397 G HA3 -0.320 3.644 3.960 0.008 0.000 0.257 397 G C 0.132 175.066 174.900 0.057 0.000 1.010 397 G CA 0.002 45.130 45.100 0.046 0.000 0.736 397 G HN 0.399 nan 8.290 nan 0.000 0.513 398 I N 1.241 121.856 120.570 0.075 0.000 2.452 398 I HA 0.155 4.330 4.170 0.008 0.000 0.287 398 I C 1.044 177.190 176.117 0.049 0.000 1.079 398 I CA -0.202 61.132 61.300 0.056 0.000 1.387 398 I CB 0.451 38.484 38.000 0.055 0.000 1.404 398 I HN 0.231 nan 8.210 nan 0.000 0.522 399 E N 4.598 124.820 120.200 0.038 0.000 2.408 399 E HA 0.135 4.490 4.350 0.008 0.000 0.259 399 E C 0.720 177.347 176.600 0.045 0.000 1.110 399 E CA -0.091 56.331 56.400 0.036 0.000 0.929 399 E CB 0.225 29.942 29.700 0.027 0.000 0.971 399 E HN 0.580 nan 8.360 nan 0.000 0.438 400 K N 1.103 121.528 120.400 0.042 0.000 3.311 400 K HA -0.157 4.168 4.320 0.008 0.000 0.270 400 K C -1.844 174.795 176.600 0.066 0.000 0.927 400 K CA 1.419 57.735 56.287 0.047 0.000 0.706 400 K CB -2.448 30.078 32.500 0.044 0.000 1.418 400 K HN 0.479 nan 8.250 nan 0.000 0.459 401 P HA -0.234 nan 4.420 nan 0.000 0.215 401 P C 1.644 178.993 177.300 0.082 0.000 1.157 401 P CA 2.509 65.666 63.100 0.094 0.000 0.863 401 P CB -0.228 31.522 31.700 0.083 0.000 0.787 402 Y N 0.147 120.480 120.300 0.054 0.000 2.181 402 Y HA -0.148 4.407 4.550 0.008 0.000 0.288 402 Y C 2.898 178.815 175.900 0.028 0.000 1.146 402 Y CA 2.635 60.756 58.100 0.036 0.000 1.164 402 Y CB -1.941 36.537 38.460 0.029 0.000 0.982 402 Y HN 0.216 nan 8.280 nan 0.000 0.515 403 E N 0.668 120.889 120.200 0.036 0.000 2.077 403 E HA -0.238 4.117 4.350 0.008 0.000 0.193 403 E C 1.987 178.609 176.600 0.037 0.000 0.989 403 E CA 1.449 57.867 56.400 0.031 0.000 0.800 403 E CB -0.727 28.994 29.700 0.034 0.000 0.746 403 E HN 0.823 nan 8.360 nan 0.000 0.452 404 K N -0.337 120.107 120.400 0.073 0.000 2.057 404 K HA 0.030 4.355 4.320 0.008 0.000 0.206 404 K C 2.221 178.824 176.600 0.005 0.000 1.050 404 K CA 1.136 57.494 56.287 0.120 0.000 0.935 404 K CB -0.110 32.550 32.500 0.266 0.000 0.715 404 K HN 0.188 nan 8.250 nan 0.000 0.439 405 L N 1.507 122.705 121.223 -0.041 0.000 2.141 405 L HA -0.187 4.158 4.340 0.008 0.000 0.209 405 L C 2.849 179.630 176.870 -0.148 0.000 1.094 405 L CA 1.964 56.683 54.840 -0.201 0.000 0.763 405 L CB -1.342 40.651 42.059 -0.110 0.000 0.908 405 L HN 0.256 nan 8.230 nan 0.000 0.437 406 K N 0.351 120.711 120.400 -0.066 0.000 2.032 406 K HA -0.201 4.123 4.320 0.008 0.000 0.209 406 K C 2.174 178.742 176.600 -0.053 0.000 1.048 406 K CA 1.800 58.060 56.287 -0.045 0.000 0.927 406 K CB -1.380 31.110 32.500 -0.016 0.000 0.712 406 K HN 0.500 nan 8.250 nan 0.000 0.441 407 E N 0.514 120.686 120.200 -0.047 0.000 2.153 407 E HA 0.017 4.371 4.350 0.008 0.000 0.194 407 E C 2.042 178.600 176.600 -0.071 0.000 0.988 407 E CA 1.494 57.872 56.400 -0.036 0.000 0.811 407 E CB -0.606 29.093 29.700 -0.003 0.000 0.746 407 E HN 0.522 nan 8.360 nan 0.000 0.466 408 L N 0.187 121.318 121.223 -0.154 0.000 2.072 408 L HA 0.240 4.585 4.340 0.008 0.000 0.205 408 L C 1.947 178.723 176.870 -0.156 0.000 1.079 408 L CA 2.101 56.806 54.840 -0.224 0.000 0.752 408 L CB -0.814 40.913 42.059 -0.554 0.000 0.906 408 L HN 0.460 nan 8.230 nan 0.000 0.436 414 V N 1.518 121.427 119.914 -0.009 0.000 2.638 414 V HA 0.896 5.021 4.120 0.008 0.000 0.306 414 V C -0.874 175.197 176.094 -0.039 0.000 1.052 414 V CA -0.247 62.045 62.300 -0.013 0.000 0.885 414 V CB 1.899 33.739 31.823 0.029 0.000 0.999 414 V HN 1.257 nan 8.190 nan 0.000 0.424 415 D N 3.376 123.673 120.400 -0.172 0.000 2.636 415 D HA 0.696 5.341 4.640 0.008 0.000 0.275 415 D C 0.811 176.690 176.300 -0.703 0.000 1.130 415 D CA 0.169 53.870 54.000 -0.498 0.000 1.031 415 D CB 1.660 42.202 40.800 -0.429 0.000 1.451 415 D HN 0.873 nan 8.370 nan 0.000 0.505 416 A N -0.122 121.876 122.820 -1.369 0.000 1.892 416 A HA -0.250 4.075 4.320 0.008 0.000 0.218 416 A C 1.915 179.227 177.584 -0.453 0.000 1.188 416 A CA 2.514 53.827 52.037 -1.205 0.000 0.631 416 A CB -1.033 17.224 19.000 -1.239 0.000 0.822 416 A HN 0.662 nan 8.150 nan 0.000 0.447 417 E N 0.242 120.227 120.200 -0.358 0.000 2.077 417 E HA 0.039 4.394 4.350 0.008 0.000 0.193 417 E C 1.396 177.926 176.600 -0.117 0.000 0.989 417 E CA 0.857 57.144 56.400 -0.188 0.000 0.800 417 E CB -0.894 28.709 29.700 -0.161 0.000 0.746 417 E HN 0.502 nan 8.360 nan 0.000 0.452 421 Q N -0.739 119.082 119.800 0.035 0.000 2.124 421 Q HA 0.072 4.417 4.340 0.008 0.000 0.202 421 Q C 1.920 177.959 176.000 0.066 0.000 0.977 421 Q CA 1.795 57.618 55.803 0.033 0.000 0.850 421 Q CB -0.175 28.580 28.738 0.028 0.000 0.901 421 Q HN 0.585 nan 8.270 nan 0.000 0.429 422 F N 1.107 121.043 119.950 -0.024 0.000 2.146 422 F HA -0.162 4.370 4.527 0.008 0.000 0.298 422 F C 1.850 177.640 175.800 -0.016 0.000 1.096 422 F CA 1.133 59.123 58.000 -0.016 0.000 1.275 422 F CB -0.079 38.915 39.000 -0.010 0.000 1.008 422 F HN -0.051 nan 8.300 nan 0.000 0.480 423 I N 0.090 120.680 120.570 0.033 0.000 2.226 423 I HA -0.291 3.884 4.170 0.008 0.000 0.245 423 I C 1.896 177.937 176.117 -0.126 0.000 1.100 423 I CA 1.502 62.766 61.300 -0.061 0.000 1.374 423 I CB -0.619 37.398 38.000 0.028 0.000 1.057 423 I HN 0.047 nan 8.210 nan 0.000 0.413 424 D N 0.878 121.228 120.400 -0.084 0.000 2.218 424 D HA -0.111 4.534 4.640 0.008 0.000 0.204 424 D C 2.062 178.290 176.300 -0.120 0.000 0.976 424 D CA 1.301 55.250 54.000 -0.085 0.000 0.853 424 D CB -0.265 40.504 40.800 -0.053 0.000 0.939 424 D HN 0.407 nan 8.370 nan 0.000 0.481 425 G N -0.414 108.282 108.800 -0.172 0.000 2.985 425 G HA2 0.123 4.088 3.960 0.008 0.000 0.209 425 G HA3 0.123 4.088 3.960 0.008 0.000 0.209 425 G C 0.688 175.440 174.900 -0.247 0.000 1.165 425 G CA -0.214 44.771 45.100 -0.191 0.000 0.776 425 G HN 0.163 nan 8.290 nan 0.000 0.541 426 L N 0.787 121.837 121.223 -0.287 0.000 2.418 426 L HA 0.472 4.817 4.340 0.008 0.000 0.265 426 L C 0.856 177.627 176.870 -0.165 0.000 1.143 426 L CA -0.821 53.861 54.840 -0.263 0.000 0.809 426 L CB 1.472 43.367 42.059 -0.272 0.000 1.124 426 L HN 0.041 nan 8.230 nan 0.000 0.456 427 A N 5.131 127.875 122.820 -0.127 0.000 3.037 427 A HA 0.539 4.863 4.320 0.008 0.000 0.272 427 A C -0.296 177.222 177.584 -0.111 0.000 1.723 427 A CA -0.109 51.872 52.037 -0.093 0.000 1.413 427 A CB -0.800 18.168 19.000 -0.054 0.000 1.112 427 A HN 0.542 nan 8.150 nan 0.000 0.606 428 L N 1.939 123.064 121.223 -0.162 0.000 2.354 428 L HA 0.521 4.866 4.340 0.008 0.000 0.264 428 L C -2.170 174.549 176.870 -0.252 0.000 1.008 428 L CA -2.397 52.277 54.840 -0.276 0.000 0.819 428 L CB 2.566 44.447 42.059 -0.297 0.000 1.339 428 L HN 0.298 nan 8.230 nan 0.000 0.420 429 P HA 0.091 nan 4.420 nan 0.000 0.269 429 P C 0.446 177.650 177.300 -0.161 0.000 1.209 429 P CA 0.063 63.043 63.100 -0.200 0.000 0.776 429 P CB 0.768 32.351 31.700 -0.194 0.000 0.876 430 E N 2.267 122.407 120.200 -0.101 0.000 2.114 430 E HA -0.288 4.067 4.350 0.008 0.000 0.199 430 E C 2.127 178.686 176.600 -0.069 0.000 1.008 430 E CA 2.614 58.969 56.400 -0.076 0.000 0.810 430 E CB -1.727 27.942 29.700 -0.052 0.000 0.739 430 E HN 0.708 nan 8.360 nan 0.000 0.456 431 E N 1.083 121.245 120.200 -0.062 0.000 2.085 431 E HA -0.253 4.102 4.350 0.008 0.000 0.194 431 E C 2.027 178.598 176.600 -0.048 0.000 0.994 431 E CA 1.505 57.881 56.400 -0.041 0.000 0.801 431 E CB -0.508 29.178 29.700 -0.024 0.000 0.743 431 E HN 0.656 nan 8.360 nan 0.000 0.453 432 E N 0.181 120.324 120.200 -0.095 0.000 2.152 432 E HA -0.071 4.284 4.350 0.008 0.000 0.192 432 E C 2.126 178.679 176.600 -0.078 0.000 0.983 432 E CA 1.055 57.396 56.400 -0.098 0.000 0.818 432 E CB -0.130 29.428 29.700 -0.236 0.000 0.758 432 E HN 0.596 nan 8.360 nan 0.000 0.467 433 K N 0.778 121.123 120.400 -0.093 0.000 2.057 433 K HA -0.055 4.270 4.320 0.008 0.000 0.207 433 K C 2.151 178.732 176.600 -0.031 0.000 1.049 433 K CA 1.181 57.429 56.287 -0.066 0.000 0.931 433 K CB -0.103 32.352 32.500 -0.074 0.000 0.714 433 K HN 0.029 nan 8.250 nan 0.000 0.440 434 A N 1.451 124.255 122.820 -0.027 0.000 1.930 434 A HA -0.161 4.164 4.320 0.008 0.000 0.217 434 A C 2.109 179.695 177.584 0.004 0.000 1.175 434 A CA 1.312 53.344 52.037 -0.009 0.000 0.627 434 A CB -0.392 18.603 19.000 -0.009 0.000 0.815 434 A HN 0.186 nan 8.150 nan 0.000 0.443 435 R N -0.454 120.047 120.500 0.002 0.000 2.081 435 R HA -0.042 4.302 4.340 0.008 0.000 0.235 435 R C 1.938 178.248 176.300 0.017 0.000 1.131 435 R CA 1.499 57.608 56.100 0.015 0.000 0.960 435 R CB -0.374 29.938 30.300 0.021 0.000 0.856 435 R HN 0.535 nan 8.270 nan 0.000 0.436 436 L N 0.210 121.438 121.223 0.009 0.000 2.109 436 L HA -0.124 4.221 4.340 0.008 0.000 0.207 436 L C 2.085 178.973 176.870 0.030 0.000 1.086 436 L CA 1.348 56.194 54.840 0.009 0.000 0.760 436 L CB -0.213 41.852 42.059 0.009 0.000 0.910 436 L HN 0.125 nan 8.230 nan 0.000 0.437 437 K N 0.089 120.510 120.400 0.035 0.000 2.504 437 K HA 0.080 4.405 4.320 0.008 0.000 0.195 437 K C 0.867 177.509 176.600 0.070 0.000 1.036 437 K CA 0.192 56.513 56.287 0.057 0.000 0.984 437 K CB 0.067 32.587 32.500 0.033 0.000 0.788 437 K HN 0.237 nan 8.250 nan 0.000 0.488 441 P HA -0.087 nan 4.420 nan 0.000 0.216 441 P C 1.596 178.767 177.300 -0.216 0.000 1.150 441 P CA 1.833 64.688 63.100 -0.407 0.000 0.837 441 P CB -0.421 30.954 31.700 -0.541 0.000 0.786 442 A N 1.095 123.779 122.820 -0.228 0.000 1.969 442 A HA -0.173 4.151 4.320 0.008 0.000 0.218 442 A C 1.988 179.518 177.584 -0.089 0.000 1.169 442 A CA 1.725 53.679 52.037 -0.137 0.000 0.635 442 A CB -1.544 17.392 19.000 -0.107 0.000 0.810 442 A HN 0.503 nan 8.150 nan 0.000 0.445 443 N N -3.003 115.658 118.700 -0.066 0.000 2.236 443 N HA 0.011 4.755 4.740 0.008 0.000 0.196 443 N C 0.381 175.910 175.510 0.031 0.000 1.114 443 N CA -0.306 52.731 53.050 -0.021 0.000 0.859 443 N CB -0.071 38.412 38.487 -0.006 0.000 0.982 443 N HN 0.518 nan 8.380 nan 0.000 0.493 444 Y N 2.721 122.949 120.300 -0.119 0.000 2.735 444 Y HA 0.242 4.797 4.550 0.008 0.000 0.354 444 Y C 0.877 176.725 175.900 -0.086 0.000 1.288 444 Y CA -0.790 57.252 58.100 -0.098 0.000 1.836 444 Y CB -0.131 38.256 38.460 -0.121 0.000 1.920 444 Y HN 0.226 nan 8.280 nan 0.000 0.438 445 I N -0.354 120.079 120.570 -0.228 0.000 3.974 445 I HA 0.498 4.673 4.170 0.008 0.000 0.334 445 I C 1.208 177.174 176.117 -0.251 0.000 1.437 445 I CA 0.084 61.229 61.300 -0.259 0.000 1.113 445 I CB -0.222 37.690 38.000 -0.146 0.000 1.063 445 I HN 0.574 nan 8.210 nan 0.000 0.400 446 G N 2.902 111.538 108.800 -0.273 0.000 2.634 446 G HA2 -0.404 3.561 3.960 0.008 0.000 0.309 446 G HA3 -0.404 3.561 3.960 0.008 0.000 0.309 446 G C 0.715 175.558 174.900 -0.095 0.000 1.265 446 G CA 0.799 45.794 45.100 -0.175 0.000 0.998 446 G HN 0.553 nan 8.290 nan 0.000 0.551 447 R N 1.276 121.729 120.500 -0.079 0.000 2.356 447 R HA 0.477 4.822 4.340 0.008 0.000 0.234 447 R C 2.729 178.999 176.300 -0.049 0.000 0.929 447 R CA 1.348 57.420 56.100 -0.048 0.000 1.084 447 R CB -0.608 29.671 30.300 -0.034 0.000 1.105 447 R HN 0.774 nan 8.270 nan 0.000 0.515 448 A N 1.336 124.114 122.820 -0.070 0.000 1.896 448 A HA -0.242 4.083 4.320 0.008 0.000 0.220 448 A C 1.910 179.471 177.584 -0.038 0.000 1.206 448 A CA 1.642 53.642 52.037 -0.062 0.000 0.647 448 A CB -0.496 18.455 19.000 -0.081 0.000 0.828 448 A HN 0.386 nan 8.150 nan 0.000 0.455 449 I N -0.707 119.844 120.570 -0.032 0.000 2.179 449 I HA -0.161 4.014 4.170 0.008 0.000 0.242 449 I C 1.516 177.631 176.117 -0.004 0.000 1.088 449 I CA 0.957 62.248 61.300 -0.016 0.000 1.357 449 I CB -0.998 36.994 38.000 -0.013 0.000 1.051 449 I HN 0.236 nan 8.210 nan 0.000 0.409 453 D N 1.320 121.723 120.400 0.005 0.000 2.218 453 D HA -0.133 4.512 4.640 0.008 0.000 0.204 453 D C 1.714 177.999 176.300 -0.025 0.000 0.976 453 D CA 1.545 55.540 54.000 -0.008 0.000 0.853 453 D CB 0.113 40.919 40.800 0.009 0.000 0.939 453 D HN 0.645 nan 8.370 nan 0.000 0.481 454 E N -0.099 120.130 120.200 0.048 0.000 2.478 454 E HA -0.026 4.328 4.350 0.008 0.000 0.194 454 E C 1.838 178.530 176.600 0.153 0.000 1.045 454 E CA -0.286 56.194 56.400 0.133 0.000 0.868 454 E CB 0.149 30.009 29.700 0.267 0.000 0.885 454 E HN 0.078 nan 8.360 nan 0.000 0.505 455 L N 2.508 123.797 121.223 0.111 0.000 2.081 455 L HA -0.252 4.093 4.340 0.008 0.000 0.212 455 L C 2.121 179.066 176.870 0.124 0.000 1.080 455 L CA 1.944 56.885 54.840 0.169 0.000 0.754 455 L CB -0.327 41.779 42.059 0.079 0.000 0.893 455 L HN 0.016 nan 8.230 nan 0.000 0.433 456 K N -2.288 118.073 120.400 -0.065 0.000 2.442 456 K HA -0.192 4.133 4.320 0.008 0.000 0.198 456 K C 1.442 177.965 176.600 -0.127 0.000 1.044 456 K CA 1.933 58.142 56.287 -0.130 0.000 0.948 456 K CB -0.663 31.704 32.500 -0.223 0.000 0.762 456 K HN 0.538 nan 8.250 nan 0.000 0.472 457 H N -0.543 118.544 119.070 0.028 0.000 2.551 457 H HA 0.153 4.714 4.556 0.008 0.000 0.266 457 H C 0.495 175.720 175.328 -0.173 0.000 0.964 457 H CA -0.186 55.805 56.048 -0.095 0.000 1.180 457 H CB 0.219 29.875 29.762 -0.175 0.000 1.408 457 H HN 0.229 nan 8.280 nan 0.000 0.563 458 H N 0.000 119.170 119.070 0.167 0.000 2.539 458 H HA 0.000 4.561 4.556 0.008 0.000 0.296 458 H CA 0.000 56.145 56.048 0.162 0.000 1.023 458 H CB 0.000 29.943 29.762 0.301 0.000 1.292 458 H HN 0.000 nan 8.280 nan 0.000 0.496