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 1gu6_1_G DATA FIRST_RESID 38 DATA SEQUENCE VEAKNETFAP QHPDQYLSWK ATSEQSERVD ALAEDPRLVI LWAGYPFSRD DATA SEQUENCE YNKPRGHAFA VTDVRETLRT GAPKNAEDGP LPMACWSCKS PDVARLIQKD DATA SEQUENCE GEDGYFHGKW ARGGPEIVNN LGCADCHNTA SPEFAKGKPE LTLSRPYAAR DATA SEQUENCE AMEAIGKPFE KAGRFDQQSM VCGQCHVEYY FDGKNKAVKF PWDDGMKVEN DATA SEQUENCE MEQYYDKIAF SDWTNSLSKT PMLKAQHPEY ETWTAGIHGK NNVTCIDCHM DATA SEQUENCE PKVQNAEGKL YTDHKIGNPF DNFAQTCANC HTQDKAALQK VVAERKQSIN DATA SEQUENCE DLKIKVEDQL VHAHFEAKAA LDAGATEAEM KPIQDDIRHA QWRWDLAIAS DATA SEQUENCE HGIHMHAPEE GLRMLGTAMD KAADARTKLA RLLATKGITH EIQIPDISTK DATA SEQUENCE EKAQQAIGLN MEQIKAEKQD FIKTVIPQWE EQARKNGLLS Q 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 38 V HA 0.000 nan 4.120 nan 0.000 0.244 38 V C 0.000 176.086 176.094 -0.013 0.000 1.182 38 V CA 0.000 62.275 62.300 -0.042 0.000 1.235 38 V CB 0.000 31.774 31.823 -0.081 0.000 1.184 39 E N 4.732 124.962 120.200 0.050 0.000 2.035 39 E HA 0.789 5.139 4.350 -0.000 0.000 0.271 39 E C 0.663 177.324 176.600 0.102 0.000 0.953 39 E CA 0.351 56.797 56.400 0.076 0.000 0.777 39 E CB 1.304 31.091 29.700 0.146 0.000 1.104 39 E HN 1.155 nan 8.360 nan 0.000 0.408 40 A N 5.204 128.040 122.820 0.025 0.000 2.169 40 A HA 0.044 4.364 4.320 -0.000 0.000 0.212 40 A C 0.497 178.110 177.584 0.048 0.000 1.153 40 A CA 0.258 52.310 52.037 0.025 0.000 0.756 40 A CB -0.036 18.952 19.000 -0.020 0.000 0.813 40 A HN 0.432 nan 8.150 nan 0.000 0.471 41 K N 1.774 122.188 120.400 0.023 0.000 2.219 41 K HA 0.153 4.473 4.320 -0.000 0.000 0.280 41 K C -0.045 176.578 176.600 0.038 0.000 1.104 41 K CA -0.413 55.885 56.287 0.018 0.000 0.925 41 K CB 0.341 32.819 32.500 -0.037 0.000 1.261 41 K HN 0.301 nan 8.250 nan 0.000 0.445 42 N N 2.722 121.492 118.700 0.116 0.000 2.149 42 N HA -0.191 4.549 4.740 -0.000 0.000 0.188 42 N C 0.895 176.508 175.510 0.171 0.000 1.019 42 N CA 1.409 54.544 53.050 0.142 0.000 0.857 42 N CB 0.164 38.577 38.487 -0.124 0.000 0.997 42 N HN 0.523 nan 8.380 nan 0.000 0.426 43 E N 0.410 120.693 120.200 0.139 0.000 2.169 43 E HA -0.186 4.164 4.350 -0.000 0.000 0.202 43 E C 1.784 178.235 176.600 -0.250 0.000 1.016 43 E CA 1.681 58.025 56.400 -0.094 0.000 0.817 43 E CB -0.512 29.168 29.700 -0.034 0.000 0.736 43 E HN 0.311 nan 8.360 nan 0.000 0.462 44 T N 0.129 114.513 114.554 -0.284 0.000 2.751 44 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 44 T C 1.002 175.372 174.700 -0.550 0.000 1.045 44 T CA 1.467 63.266 62.100 -0.502 0.000 1.142 44 T CB -0.310 68.084 68.868 -0.790 0.000 0.851 44 T HN 0.159 nan 8.240 nan 0.000 0.474 45 F N 0.176 120.059 119.950 -0.111 0.000 2.695 45 F HA 0.524 5.051 4.527 -0.000 0.000 0.303 45 F C 2.113 177.813 175.800 -0.166 0.000 1.091 45 F CA -0.497 57.477 58.000 -0.044 0.000 1.300 45 F CB -0.513 38.548 39.000 0.102 0.000 1.071 45 F HN 0.071 nan 8.300 nan 0.000 0.578 46 A N 0.993 123.613 122.820 -0.335 0.000 1.940 46 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 46 A C -0.190 177.236 177.584 -0.263 0.000 1.176 46 A CA 1.655 53.335 52.037 -0.595 0.000 0.631 46 A CB -1.723 16.576 19.000 -1.168 0.000 0.814 46 A HN 0.207 nan 8.150 nan 0.000 0.446 47 P HA -0.113 nan 4.420 nan 0.000 0.216 47 P C 1.550 178.728 177.300 -0.203 0.000 1.153 47 P CA 0.963 63.955 63.100 -0.181 0.000 0.844 47 P CB 0.001 31.600 31.700 -0.169 0.000 0.787 48 Q N -1.300 118.332 119.800 -0.281 0.000 2.172 48 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 48 Q C 0.365 175.993 176.000 -0.620 0.000 0.964 48 Q CA 1.384 56.875 55.803 -0.520 0.000 0.855 48 Q CB -0.418 27.838 28.738 -0.803 0.000 0.918 48 Q HN 0.563 nan 8.270 nan 0.000 0.444 49 H N -0.651 118.346 119.070 -0.121 0.000 2.535 49 H HA 0.140 4.696 4.556 -0.000 0.000 0.232 49 H C -1.652 173.617 175.328 -0.097 0.000 1.405 49 H CA -1.356 54.597 56.048 -0.158 0.000 1.224 49 H CB 0.843 30.469 29.762 -0.228 0.000 1.763 49 H HN 0.054 nan 8.280 nan 0.000 0.529 50 P HA -0.204 nan 4.420 nan 0.000 0.216 50 P C 0.707 177.994 177.300 -0.021 0.000 1.150 50 P CA 1.321 64.424 63.100 0.004 0.000 0.837 50 P CB 0.664 32.337 31.700 -0.045 0.000 0.786 51 D N -0.420 119.867 120.400 -0.188 0.000 2.149 51 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 51 D C 2.155 178.301 176.300 -0.257 0.000 0.972 51 D CA 1.085 54.820 54.000 -0.441 0.000 0.835 51 D CB -0.220 39.897 40.800 -1.138 0.000 0.966 51 D HN 0.209 nan 8.370 nan 0.000 0.476 52 Q N -0.321 119.381 119.800 -0.165 0.000 2.062 52 Q HA -0.095 4.245 4.340 -0.000 0.000 0.196 52 Q C 1.969 177.955 176.000 -0.024 0.000 0.967 52 Q CA 0.704 56.387 55.803 -0.200 0.000 0.832 52 Q CB -0.611 27.839 28.738 -0.479 0.000 0.899 52 Q HN 0.350 nan 8.270 nan 0.000 0.442 53 Y N 1.012 121.290 120.300 -0.037 0.000 2.081 53 Y HA -0.264 4.285 4.550 -0.000 0.000 0.280 53 Y C 1.709 177.776 175.900 0.278 0.000 1.163 53 Y CA 1.624 59.801 58.100 0.128 0.000 1.135 53 Y CB -0.241 38.272 38.460 0.088 0.000 0.970 53 Y HN 0.045 nan 8.280 nan 0.000 0.498 54 L N -0.462 120.902 121.223 0.234 0.000 2.046 54 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 54 L C 2.684 179.621 176.870 0.110 0.000 1.077 54 L CA 1.766 56.695 54.840 0.149 0.000 0.747 54 L CB -0.879 41.265 42.059 0.142 0.000 0.896 54 L HN 0.379 nan 8.230 nan 0.000 0.432 55 S N -1.178 114.625 115.700 0.172 0.000 2.371 55 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 55 S C 1.660 176.381 174.600 0.202 0.000 1.029 55 S CA 0.598 58.924 58.200 0.210 0.000 0.978 55 S CB -1.003 62.400 63.200 0.339 0.000 0.833 55 S HN 0.572 nan 8.310 nan 0.000 0.466 56 W N 2.871 124.213 121.300 0.069 0.000 2.302 56 W HA -0.220 4.440 4.660 -0.000 0.000 0.320 56 W C 2.329 178.806 176.519 -0.071 0.000 1.241 56 W CA 2.100 59.471 57.345 0.044 0.000 1.264 56 W CB -0.472 28.983 29.460 -0.008 0.000 1.154 56 W HN 0.305 nan 8.180 nan 0.000 0.483 57 K N 0.090 120.349 120.400 -0.235 0.000 2.209 57 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 57 K C 2.013 178.391 176.600 -0.369 0.000 1.048 57 K CA 1.438 57.398 56.287 -0.544 0.000 0.940 57 K CB -0.492 31.809 32.500 -0.332 0.000 0.729 57 K HN 0.168 nan 8.250 nan 0.000 0.451 58 A N 0.301 123.011 122.820 -0.184 0.000 2.206 58 A HA -0.065 4.255 4.320 -0.000 0.000 0.211 58 A C 1.834 179.353 177.584 -0.108 0.000 1.158 58 A CA 1.404 53.383 52.037 -0.097 0.000 0.761 58 A CB -0.799 18.196 19.000 -0.008 0.000 0.801 58 A HN 0.557 nan 8.150 nan 0.000 0.473 59 T N -1.364 113.075 114.554 -0.192 0.000 3.025 59 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 59 T C 1.802 176.435 174.700 -0.113 0.000 1.126 59 T CA 1.528 63.543 62.100 -0.142 0.000 1.105 59 T CB -0.833 67.921 68.868 -0.190 0.000 0.884 59 T HN 0.684 nan 8.240 nan 0.000 0.522 60 S N 1.690 117.258 115.700 -0.220 0.000 2.469 60 S HA -0.114 4.356 4.470 -0.000 0.000 0.238 60 S C 1.694 176.396 174.600 0.169 0.000 0.998 60 S CA 0.834 58.932 58.200 -0.171 0.000 0.957 60 S CB -0.520 62.539 63.200 -0.236 0.000 0.764 60 S HN 0.745 nan 8.310 nan 0.000 0.514 61 E N 0.946 121.200 120.200 0.091 0.000 2.358 61 E HA -0.013 4.337 4.350 -0.000 0.000 0.195 61 E C 0.409 177.084 176.600 0.125 0.000 1.010 61 E CA 0.398 56.860 56.400 0.104 0.000 0.856 61 E CB -0.091 29.642 29.700 0.055 0.000 0.795 61 E HN 0.699 nan 8.360 nan 0.000 0.504 62 Q N 0.780 120.680 119.800 0.168 0.000 2.835 62 Q HA 0.105 4.445 4.340 -0.000 0.000 0.235 62 Q C 0.332 176.422 176.000 0.149 0.000 1.313 62 Q CA -0.215 55.668 55.803 0.133 0.000 1.053 62 Q CB 0.641 29.441 28.738 0.104 0.000 1.443 62 Q HN 0.090 nan 8.270 nan 0.000 0.576 63 S N -0.927 114.770 115.700 -0.005 0.000 2.578 63 S HA 0.031 4.501 4.470 -0.000 0.000 0.228 63 S C 0.508 174.900 174.600 -0.346 0.000 1.022 63 S CA -0.508 57.474 58.200 -0.363 0.000 0.967 63 S CB 0.251 63.257 63.200 -0.323 0.000 0.914 63 S HN 0.470 nan 8.310 nan 0.000 0.515 64 E N 3.038 123.138 120.200 -0.168 0.000 2.606 64 E HA 0.023 4.373 4.350 -0.000 0.000 0.248 64 E C -0.117 176.390 176.600 -0.156 0.000 1.005 64 E CA 0.408 56.727 56.400 -0.134 0.000 0.946 64 E CB 0.178 29.833 29.700 -0.074 0.000 0.928 64 E HN 0.408 nan 8.360 nan 0.000 0.494 65 R N 4.631 125.033 120.500 -0.162 0.000 2.312 65 R HA 0.309 4.649 4.340 -0.000 0.000 0.310 65 R C -1.434 174.800 176.300 -0.111 0.000 1.064 65 R CA -0.683 55.328 56.100 -0.148 0.000 0.983 65 R CB 0.627 30.825 30.300 -0.170 0.000 1.139 65 R HN 0.382 nan 8.270 nan 0.000 0.536 66 V N 3.720 123.568 119.914 -0.108 0.000 2.432 66 V HA 0.068 4.188 4.120 -0.000 0.000 0.275 66 V C 0.245 176.284 176.094 -0.093 0.000 1.043 66 V CA -0.630 61.617 62.300 -0.088 0.000 0.925 66 V CB 1.314 33.086 31.823 -0.084 0.000 0.985 66 V HN 0.642 nan 8.190 nan 0.000 0.466 67 D N 4.145 124.511 120.400 -0.057 0.000 2.342 67 D HA 0.230 4.870 4.640 -0.000 0.000 0.260 67 D C 0.945 177.242 176.300 -0.005 0.000 1.278 67 D CA 0.344 54.324 54.000 -0.033 0.000 0.910 67 D CB 1.631 42.428 40.800 -0.005 0.000 1.079 67 D HN 0.631 nan 8.370 nan 0.000 0.496 68 A N 4.565 127.370 122.820 -0.025 0.000 2.014 68 A HA -0.072 4.247 4.320 -0.000 0.000 0.218 68 A C 2.293 179.997 177.584 0.199 0.000 1.163 68 A CA 0.574 52.651 52.037 0.066 0.000 0.652 68 A CB -0.213 18.775 19.000 -0.020 0.000 0.808 68 A HN 0.699 nan 8.150 nan 0.000 0.449 69 L N -0.900 120.457 121.223 0.222 0.000 2.093 69 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 69 L C 3.073 180.019 176.870 0.127 0.000 1.085 69 L CA 0.990 55.963 54.840 0.223 0.000 0.755 69 L CB -0.580 41.617 42.059 0.230 0.000 0.904 69 L HN 0.428 nan 8.230 nan 0.000 0.435 70 A N -0.244 122.629 122.820 0.088 0.000 1.933 70 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 70 A C 2.237 179.853 177.584 0.053 0.000 1.175 70 A CA 1.809 53.880 52.037 0.056 0.000 0.628 70 A CB -0.417 18.604 19.000 0.035 0.000 0.814 70 A HN 0.440 nan 8.150 nan 0.000 0.444 71 E N -1.022 119.216 120.200 0.063 0.000 2.107 71 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 71 E C -0.309 176.332 176.600 0.068 0.000 0.982 71 E CA 0.920 57.355 56.400 0.059 0.000 0.809 71 E CB 0.184 29.922 29.700 0.063 0.000 0.756 71 E HN 0.424 nan 8.360 nan 0.000 0.459 72 D N -1.040 119.416 120.400 0.093 0.000 2.378 72 D HA 0.147 4.787 4.640 -0.000 0.000 0.265 72 D C -2.279 174.061 176.300 0.067 0.000 1.229 72 D CA -2.122 51.926 54.000 0.080 0.000 0.914 72 D CB 1.294 42.163 40.800 0.114 0.000 1.140 72 D HN -0.131 nan 8.370 nan 0.000 0.516 73 P HA -0.006 nan 4.420 nan 0.000 0.225 73 P C 1.294 178.597 177.300 0.005 0.000 1.148 73 P CA 0.564 63.687 63.100 0.038 0.000 0.779 73 P CB 0.356 32.074 31.700 0.030 0.000 0.780 74 R N -0.466 120.017 120.500 -0.028 0.000 2.127 74 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 74 R C 2.105 178.299 176.300 -0.176 0.000 1.134 74 R CA 1.060 57.107 56.100 -0.089 0.000 0.975 74 R CB -0.982 29.249 30.300 -0.115 0.000 0.865 74 R HN 0.250 nan 8.270 nan 0.000 0.447 75 L N 0.029 121.135 121.223 -0.194 0.000 2.127 75 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 75 L C 2.207 178.916 176.870 -0.270 0.000 1.089 75 L CA 0.932 55.504 54.840 -0.447 0.000 0.757 75 L CB -0.499 41.341 42.059 -0.366 0.000 0.899 75 L HN 0.060 nan 8.230 nan 0.000 0.434 76 V N -0.165 119.734 119.914 -0.025 0.000 2.427 76 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 76 V C 2.410 178.521 176.094 0.030 0.000 1.051 76 V CA 1.272 63.622 62.300 0.083 0.000 1.048 76 V CB -0.312 31.566 31.823 0.091 0.000 0.666 76 V HN 0.288 nan 8.190 nan 0.000 0.456 77 I N -0.204 120.339 120.570 -0.045 0.000 2.202 77 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 77 I C 2.308 178.297 176.117 -0.213 0.000 1.091 77 I CA 1.654 62.889 61.300 -0.108 0.000 1.368 77 I CB -1.120 36.853 38.000 -0.044 0.000 1.058 77 I HN 0.266 nan 8.210 nan 0.000 0.410 78 L N -1.172 119.902 121.223 -0.248 0.000 2.275 78 L HA -0.156 4.183 4.340 -0.000 0.000 0.215 78 L C 1.588 178.490 176.870 0.053 0.000 1.119 78 L CA 0.855 55.547 54.840 -0.247 0.000 0.790 78 L CB -0.427 41.324 42.059 -0.513 0.000 0.919 78 L HN 0.380 nan 8.230 nan 0.000 0.443 79 W N 0.411 121.765 121.300 0.089 0.000 3.102 79 W HA 0.413 5.072 4.660 -0.000 0.000 0.401 79 W C 0.837 177.391 176.519 0.058 0.000 1.070 79 W CA -1.384 56.012 57.345 0.085 0.000 1.921 79 W CB -0.797 28.659 29.460 -0.008 0.000 1.118 79 W HN -0.090 nan 8.180 nan 0.000 0.647 80 A N 0.701 123.660 122.820 0.231 0.000 2.573 80 A HA 0.357 4.677 4.320 -0.000 0.000 0.250 80 A C 1.546 179.298 177.584 0.280 0.000 1.049 80 A CA 1.787 53.910 52.037 0.144 0.000 0.767 80 A CB -0.410 18.574 19.000 -0.026 0.000 0.965 80 A HN 1.009 nan 8.150 nan 0.000 0.514 81 G N 0.524 109.432 108.800 0.181 0.000 2.175 81 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 81 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 81 G C -0.058 174.914 174.900 0.120 0.000 0.982 81 G CA 0.603 45.835 45.100 0.220 0.000 0.641 81 G HN 1.493 nan 8.290 nan 0.000 0.527 82 Y N 0.381 120.477 120.300 -0.340 0.000 2.524 82 Y HA 0.608 5.158 4.550 -0.000 0.000 0.344 82 Y C -1.802 173.909 175.900 -0.315 0.000 1.012 82 Y CA -1.937 55.781 58.100 -0.637 0.000 1.068 82 Y CB 2.069 39.573 38.460 -1.594 0.000 1.249 82 Y HN -0.060 nan 8.280 nan 0.000 0.468 83 P HA -0.177 nan 4.420 nan 0.000 0.217 83 P C 1.210 178.311 177.300 -0.332 0.000 1.148 83 P CA 1.720 64.553 63.100 -0.445 0.000 0.828 83 P CB 0.006 31.348 31.700 -0.597 0.000 0.783 84 F N 0.264 119.948 119.950 -0.443 0.000 2.373 84 F HA -0.160 4.366 4.527 -0.000 0.000 0.300 84 F C 2.272 178.120 175.800 0.080 0.000 1.080 84 F CA 1.680 59.501 58.000 -0.298 0.000 1.417 84 F CB -1.250 37.208 39.000 -0.903 0.000 1.070 84 F HN 0.027 nan 8.300 nan 0.000 0.546 85 S N -0.445 115.398 115.700 0.238 0.000 2.522 85 S HA -0.023 4.447 4.470 -0.000 0.000 0.227 85 S C 1.876 176.558 174.600 0.136 0.000 0.986 85 S CA 0.146 58.503 58.200 0.263 0.000 0.929 85 S CB -0.244 63.077 63.200 0.201 0.000 0.769 85 S HN 0.399 nan 8.310 nan 0.000 0.529 86 R N 0.750 121.274 120.500 0.040 0.000 2.090 86 R HA 0.301 4.641 4.340 -0.000 0.000 0.219 86 R C -0.382 175.924 176.300 0.011 0.000 1.100 86 R CA 0.943 57.043 56.100 -0.001 0.000 0.991 86 R CB -0.023 30.234 30.300 -0.072 0.000 0.893 86 R HN 0.357 nan 8.270 nan 0.000 0.443 87 D N -1.229 119.166 120.400 -0.009 0.000 2.871 87 D HA 0.174 4.814 4.640 -0.000 0.000 0.209 87 D C -2.088 174.232 176.300 0.032 0.000 1.292 87 D CA -0.583 53.414 54.000 -0.006 0.000 0.869 87 D CB 1.170 41.918 40.800 -0.087 0.000 1.663 87 D HN -0.081 nan 8.370 nan 0.000 0.557 88 Y N 3.474 123.760 120.300 -0.022 0.000 2.287 88 Y HA 0.419 4.969 4.550 -0.000 0.000 0.321 88 Y C -1.727 174.231 175.900 0.097 0.000 1.173 88 Y CA -0.695 57.423 58.100 0.030 0.000 1.124 88 Y CB 0.806 39.431 38.460 0.274 0.000 1.201 88 Y HN 0.253 nan 8.280 nan 0.000 0.421 89 N N 4.707 123.190 118.700 -0.360 0.000 2.432 89 N HA 0.432 5.172 4.740 -0.000 0.000 0.292 89 N C -1.088 174.123 175.510 -0.499 0.000 1.193 89 N CA -0.894 51.949 53.050 -0.345 0.000 0.878 89 N CB 1.922 40.306 38.487 -0.172 0.000 1.252 89 N HN 0.548 nan 8.380 nan 0.000 0.520 90 K N 0.997 121.166 120.400 -0.385 0.000 2.258 90 K HA 0.287 4.607 4.320 -0.000 0.000 0.264 90 K C -2.156 174.299 176.600 -0.242 0.000 1.007 90 K CA -1.112 54.910 56.287 -0.442 0.000 0.941 90 K CB -0.117 32.125 32.500 -0.430 0.000 0.966 90 K HN 0.301 nan 8.250 nan 0.000 0.480 91 P HA -0.059 nan 4.420 nan 0.000 0.266 91 P C -0.604 176.695 177.300 -0.002 0.000 1.193 91 P CA 0.221 63.322 63.100 -0.000 0.000 0.770 91 P CB 0.544 32.299 31.700 0.093 0.000 0.836 92 R N 0.848 121.385 120.500 0.062 0.000 3.315 92 R HA 0.758 5.098 4.340 -0.000 0.000 0.239 92 R C 0.346 176.758 176.300 0.186 0.000 1.532 92 R CA -1.151 55.004 56.100 0.091 0.000 1.033 92 R CB -0.317 30.000 30.300 0.028 0.000 1.586 92 R HN 0.364 nan 8.270 nan 0.000 0.512 93 G N -0.673 108.292 108.800 0.275 0.000 2.559 93 G HA2 0.011 3.971 3.960 -0.000 0.000 0.235 93 G HA3 0.011 3.971 3.960 -0.000 0.000 0.235 93 G C 0.021 175.036 174.900 0.192 0.000 1.266 93 G CA -0.257 44.957 45.100 0.189 0.000 0.847 93 G HN 0.708 nan 8.290 nan 0.000 0.583 94 H N 1.279 120.350 119.070 0.001 0.000 2.422 94 H HA -0.169 4.387 4.556 -0.000 0.000 0.298 94 H C 2.750 178.000 175.328 -0.131 0.000 1.098 94 H CA 0.837 56.873 56.048 -0.021 0.000 1.315 94 H CB 0.303 30.057 29.762 -0.013 0.000 1.382 94 H HN 0.564 nan 8.280 nan 0.000 0.523 95 A N 0.564 123.251 122.820 -0.222 0.000 2.070 95 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 95 A C 1.289 178.516 177.584 -0.595 0.000 1.159 95 A CA 1.084 52.806 52.037 -0.526 0.000 0.656 95 A CB -0.493 18.029 19.000 -0.795 0.000 0.800 95 A HN 0.299 nan 8.150 nan 0.000 0.453 96 F N -0.917 119.053 119.950 0.033 0.000 2.693 96 F HA 0.374 4.901 4.527 -0.000 0.000 0.303 96 F C 2.201 178.055 175.800 0.090 0.000 1.097 96 F CA -0.172 57.861 58.000 0.055 0.000 1.330 96 F CB -0.369 38.654 39.000 0.038 0.000 1.067 96 F HN 0.222 nan 8.300 nan 0.000 0.565 97 A N 0.277 123.203 122.820 0.176 0.000 1.851 97 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 97 A C 2.364 180.080 177.584 0.221 0.000 1.195 97 A CA 2.286 54.431 52.037 0.179 0.000 0.622 97 A CB -1.108 17.971 19.000 0.130 0.000 0.831 97 A HN 0.136 nan 8.150 nan 0.000 0.444 98 V N 0.068 120.124 119.914 0.237 0.000 2.295 98 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 98 V C 3.018 179.322 176.094 0.350 0.000 1.049 98 V CA 2.609 65.116 62.300 0.345 0.000 1.024 98 V CB -1.206 30.801 31.823 0.307 0.000 0.648 98 V HN 0.840 nan 8.190 nan 0.000 0.447 99 T N -1.526 113.196 114.554 0.280 0.000 2.867 99 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 99 T C 1.592 176.442 174.700 0.249 0.000 1.057 99 T CA 1.710 63.977 62.100 0.278 0.000 1.136 99 T CB -0.386 68.637 68.868 0.259 0.000 0.874 99 T HN 0.446 nan 8.240 nan 0.000 0.466 100 D N 0.546 121.080 120.400 0.225 0.000 2.144 100 D HA -0.027 4.613 4.640 -0.000 0.000 0.200 100 D C 2.169 178.525 176.300 0.094 0.000 0.978 100 D CA 0.793 54.880 54.000 0.145 0.000 0.833 100 D CB -0.498 40.378 40.800 0.127 0.000 0.961 100 D HN 0.351 nan 8.370 nan 0.000 0.470 101 V N 0.461 120.447 119.914 0.119 0.000 2.453 101 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 101 V C 2.312 178.446 176.094 0.067 0.000 1.048 101 V CA 1.379 63.679 62.300 0.000 0.000 1.049 101 V CB -0.096 31.718 31.823 -0.015 0.000 0.672 101 V HN -0.005 nan 8.190 nan 0.000 0.457 102 R N 0.065 120.786 120.500 0.368 0.000 2.091 102 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 102 R C 2.130 178.662 176.300 0.387 0.000 1.136 102 R CA 2.220 58.682 56.100 0.602 0.000 0.959 102 R CB -0.138 30.507 30.300 0.576 0.000 0.856 102 R HN 0.639 nan 8.270 nan 0.000 0.437 103 E N -0.691 119.633 120.200 0.207 0.000 2.452 103 E HA 0.028 4.378 4.350 -0.000 0.000 0.197 103 E C -0.155 176.460 176.600 0.026 0.000 1.022 103 E CA 0.189 56.670 56.400 0.136 0.000 0.890 103 E CB 0.532 30.298 29.700 0.110 0.000 0.918 103 E HN 0.270 nan 8.360 nan 0.000 0.496 104 T N 1.152 115.672 114.554 -0.055 0.000 2.932 104 T HA 0.034 4.384 4.350 -0.000 0.000 0.312 104 T C 1.408 176.009 174.700 -0.165 0.000 1.071 104 T CA -0.045 61.974 62.100 -0.134 0.000 1.128 104 T CB 0.994 69.720 68.868 -0.237 0.000 0.984 104 T HN 0.048 nan 8.240 nan 0.000 0.549 105 L N 1.051 122.184 121.223 -0.150 0.000 2.353 105 L HA -0.093 4.247 4.340 -0.000 0.000 0.220 105 L C 2.850 179.573 176.870 -0.243 0.000 1.133 105 L CA 1.090 55.834 54.840 -0.160 0.000 0.798 105 L CB -0.492 41.499 42.059 -0.114 0.000 0.922 105 L HN 0.644 nan 8.230 nan 0.000 0.445 106 R N -0.253 120.058 120.500 -0.316 0.000 2.115 106 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 106 R C 2.167 178.202 176.300 -0.442 0.000 1.100 106 R CA 1.766 57.628 56.100 -0.397 0.000 0.980 106 R CB -0.545 29.450 30.300 -0.509 0.000 0.875 106 R HN 0.466 nan 8.270 nan 0.000 0.445 107 T N -2.007 112.219 114.554 -0.547 0.000 3.113 107 T HA 0.215 4.565 4.350 -0.000 0.000 0.256 107 T C 1.226 175.612 174.700 -0.524 0.000 1.131 107 T CA 0.267 61.900 62.100 -0.778 0.000 1.074 107 T CB 0.120 68.042 68.868 -1.577 0.000 0.944 107 T HN 0.454 nan 8.240 nan 0.000 0.516 108 G N 1.594 110.162 108.800 -0.388 0.000 2.569 108 G HA2 0.142 4.102 3.960 -0.000 0.000 0.259 108 G HA3 0.142 4.102 3.960 -0.000 0.000 0.259 108 G C 0.027 174.641 174.900 -0.476 0.000 1.263 108 G CA -0.148 44.764 45.100 -0.314 0.000 0.928 108 G HN 1.506 nan 8.290 nan 0.000 0.572 109 A N 0.316 122.887 122.820 -0.414 0.000 3.127 109 A HA 0.738 5.058 4.320 -0.000 0.000 0.319 109 A C -2.308 175.114 177.584 -0.270 0.000 1.104 109 A CA -0.420 51.266 52.037 -0.586 0.000 0.802 109 A CB 1.092 19.959 19.000 -0.221 0.000 1.193 109 A HN 0.554 nan 8.150 nan 0.000 0.479 110 P HA 0.043 nan 4.420 nan 0.000 0.262 110 P C 0.624 178.007 177.300 0.138 0.000 1.182 110 P CA 0.118 63.260 63.100 0.069 0.000 0.761 110 P CB 0.880 32.728 31.700 0.246 0.000 0.795 111 K N 1.989 122.456 120.400 0.112 0.000 2.167 111 K HA -0.004 4.316 4.320 -0.000 0.000 0.203 111 K C 0.793 177.477 176.600 0.141 0.000 1.052 111 K CA 1.341 57.697 56.287 0.115 0.000 0.956 111 K CB -0.501 32.045 32.500 0.076 0.000 0.735 111 K HN 0.684 nan 8.250 nan 0.000 0.451 112 N N -3.101 115.691 118.700 0.153 0.000 3.106 112 N HA 0.236 4.976 4.740 -0.000 0.000 0.253 112 N C -0.109 175.500 175.510 0.166 0.000 1.506 112 N CA -0.054 53.090 53.050 0.157 0.000 0.876 112 N CB 0.328 38.878 38.487 0.105 0.000 1.452 112 N HN -0.188 nan 8.380 nan 0.000 0.542 113 A N -0.917 121.986 122.820 0.139 0.000 2.272 113 A HA -0.089 4.231 4.320 -0.000 0.000 0.213 113 A C 0.595 178.225 177.584 0.076 0.000 1.183 113 A CA 1.309 53.407 52.037 0.101 0.000 0.719 113 A CB -0.784 18.248 19.000 0.054 0.000 0.771 113 A HN 0.692 nan 8.150 nan 0.000 0.484 114 E N -1.158 119.089 120.200 0.079 0.000 2.601 114 E HA 0.090 4.440 4.350 -0.000 0.000 0.219 114 E C -0.356 176.281 176.600 0.062 0.000 0.964 114 E CA -0.310 56.123 56.400 0.055 0.000 1.050 114 E CB 0.377 30.104 29.700 0.045 0.000 1.068 114 E HN 0.508 nan 8.360 nan 0.000 0.496 115 D N 0.277 120.729 120.400 0.087 0.000 2.506 115 D HA 0.479 5.119 4.640 -0.000 0.000 0.272 115 D C 0.335 176.692 176.300 0.096 0.000 1.214 115 D CA 0.718 54.766 54.000 0.079 0.000 1.067 115 D CB 1.009 41.859 40.800 0.085 0.000 1.117 115 D HN 0.096 nan 8.370 nan 0.000 0.578 116 G N 0.013 108.852 108.800 0.064 0.000 2.719 116 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.686 116 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.686 116 G C -1.848 173.067 174.900 0.026 0.000 1.201 116 G CA -0.255 44.878 45.100 0.055 0.000 0.768 116 G HN 0.429 nan 8.290 nan 0.000 0.629 117 P HA 0.034 nan 4.420 nan 0.000 0.223 117 P C 0.844 178.129 177.300 -0.026 0.000 1.151 117 P CA 0.963 64.036 63.100 -0.044 0.000 0.787 117 P CB 0.310 31.948 31.700 -0.104 0.000 0.788 118 L N 0.818 122.028 121.223 -0.021 0.000 2.333 118 L HA 0.510 4.850 4.340 -0.000 0.000 0.269 118 L C -2.350 174.556 176.870 0.061 0.000 1.010 118 L CA -2.706 52.129 54.840 -0.009 0.000 0.818 118 L CB 2.365 44.335 42.059 -0.149 0.000 1.306 118 L HN -0.227 nan 8.230 nan 0.000 0.430 119 P HA 0.165 nan 4.420 nan 0.000 0.278 119 P C 0.340 177.644 177.300 0.007 0.000 1.266 119 P CA -0.622 62.445 63.100 -0.054 0.000 0.807 119 P CB 0.997 32.550 31.700 -0.246 0.000 1.094 120 M N 0.505 120.099 119.600 -0.009 0.000 2.260 120 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 120 M C 2.009 178.369 176.300 0.099 0.000 1.066 120 M CA 1.765 57.102 55.300 0.061 0.000 1.082 120 M CB -1.891 30.583 32.600 -0.211 0.000 1.388 120 M HN 0.464 nan 8.290 nan 0.000 0.419 121 A N -0.844 121.972 122.820 -0.006 0.000 2.076 121 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 121 A C 2.371 180.067 177.584 0.187 0.000 1.160 121 A CA 1.558 53.659 52.037 0.106 0.000 0.653 121 A CB -1.169 17.552 19.000 -0.464 0.000 0.801 121 A HN 0.602 nan 8.150 nan 0.000 0.455 122 C N -2.669 116.704 119.300 0.122 0.000 2.422 122 C HA -0.130 4.329 4.460 -0.000 0.000 0.286 122 C C 2.096 177.138 174.990 0.088 0.000 1.412 122 C CA 0.256 59.310 59.018 0.061 0.000 1.786 122 C CB -1.979 25.635 27.740 -0.210 0.000 1.835 122 C HN 0.859 nan 8.230 nan 0.000 0.533 123 W N 0.544 122.051 121.300 0.345 0.000 2.678 123 W HA -0.032 4.628 4.660 -0.000 0.000 0.256 123 W C 2.537 179.200 176.519 0.239 0.000 1.280 123 W CA 0.366 57.895 57.345 0.307 0.000 1.345 123 W CB -0.511 29.109 29.460 0.268 0.000 1.118 123 W HN 0.113 nan 8.180 nan 0.000 0.629 124 S N -0.412 115.568 115.700 0.465 0.000 2.387 124 S HA -0.213 4.257 4.470 -0.000 0.000 0.230 124 S C 1.141 175.886 174.600 0.243 0.000 1.035 124 S CA 1.136 59.556 58.200 0.367 0.000 1.014 124 S CB -0.546 62.855 63.200 0.334 0.000 0.836 124 S HN 0.270 nan 8.310 nan 0.000 0.466 125 C N 1.475 120.881 119.300 0.176 0.000 2.548 125 C HA 0.418 4.878 4.460 -0.000 0.000 0.297 125 C C 1.343 176.374 174.990 0.068 0.000 1.422 125 C CA -0.713 58.356 59.018 0.085 0.000 1.785 125 C CB -0.794 26.947 27.740 0.001 0.000 2.593 125 C HN 0.363 nan 8.230 nan 0.000 0.545 126 K N 0.165 120.655 120.400 0.150 0.000 2.502 126 K HA 0.226 4.546 4.320 -0.000 0.000 0.211 126 K C 0.260 176.961 176.600 0.169 0.000 1.259 126 K CA 0.419 56.812 56.287 0.178 0.000 0.983 126 K CB 0.919 33.605 32.500 0.310 0.000 1.054 126 K HN 0.315 nan 8.250 nan 0.000 0.572 127 S N 0.823 116.605 115.700 0.137 0.000 2.543 127 S HA 0.300 4.770 4.470 -0.000 0.000 0.274 127 S C -2.620 171.996 174.600 0.027 0.000 1.149 127 S CA -0.929 57.331 58.200 0.099 0.000 0.866 127 S CB 1.831 65.096 63.200 0.109 0.000 1.111 127 S HN -0.179 nan 8.310 nan 0.000 0.457 128 P HA 0.058 nan 4.420 nan 0.000 0.233 128 P C 0.543 177.799 177.300 -0.073 0.000 1.167 128 P CA 0.605 63.685 63.100 -0.034 0.000 0.770 128 P CB 0.062 31.756 31.700 -0.009 0.000 0.837 129 D N -0.033 120.323 120.400 -0.073 0.000 2.219 129 D HA -0.077 4.563 4.640 -0.000 0.000 0.205 129 D C 2.005 178.202 176.300 -0.172 0.000 0.970 129 D CA 0.755 54.681 54.000 -0.124 0.000 0.851 129 D CB -0.184 40.523 40.800 -0.155 0.000 0.943 129 D HN 0.022 nan 8.370 nan 0.000 0.488 130 V N 1.632 121.444 119.914 -0.170 0.000 2.332 130 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 130 V C 2.588 178.435 176.094 -0.411 0.000 1.055 130 V CA 1.907 64.010 62.300 -0.330 0.000 1.038 130 V CB -0.662 31.018 31.823 -0.238 0.000 0.651 130 V HN 0.179 nan 8.190 nan 0.000 0.450 131 A N -0.576 122.085 122.820 -0.266 0.000 1.873 131 A HA -0.199 4.121 4.320 -0.000 0.000 0.215 131 A C 2.403 179.858 177.584 -0.214 0.000 1.186 131 A CA 1.647 53.535 52.037 -0.248 0.000 0.616 131 A CB -0.569 18.315 19.000 -0.192 0.000 0.823 131 A HN 0.405 nan 8.150 nan 0.000 0.442 132 R N -1.014 119.384 120.500 -0.171 0.000 2.136 132 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 132 R C 1.992 178.201 176.300 -0.152 0.000 1.131 132 R CA 2.018 58.034 56.100 -0.140 0.000 0.937 132 R CB -0.674 29.554 30.300 -0.120 0.000 0.863 132 R HN 0.427 nan 8.270 nan 0.000 0.435 133 L N 0.827 121.942 121.223 -0.180 0.000 2.083 133 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 133 L C 2.281 179.060 176.870 -0.152 0.000 1.083 133 L CA 1.441 56.200 54.840 -0.136 0.000 0.752 133 L CB -0.576 41.444 42.059 -0.067 0.000 0.899 133 L HN 0.259 nan 8.230 nan 0.000 0.433 134 I N -0.694 119.705 120.570 -0.285 0.000 2.226 134 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 134 I C 2.546 178.575 176.117 -0.147 0.000 1.100 134 I CA 1.493 62.645 61.300 -0.247 0.000 1.374 134 I CB -0.262 37.531 38.000 -0.344 0.000 1.057 134 I HN 0.465 nan 8.210 nan 0.000 0.413 135 Q N 1.433 121.146 119.800 -0.146 0.000 2.172 135 Q HA -0.221 4.119 4.340 -0.000 0.000 0.200 135 Q C 2.146 178.098 176.000 -0.081 0.000 0.964 135 Q CA 1.367 57.106 55.803 -0.106 0.000 0.855 135 Q CB -0.252 28.422 28.738 -0.105 0.000 0.918 135 Q HN 0.375 nan 8.270 nan 0.000 0.444 136 K N 0.281 120.632 120.400 -0.082 0.000 2.007 136 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 136 K C 0.666 177.237 176.600 -0.048 0.000 1.047 136 K CA 1.694 57.943 56.287 -0.063 0.000 0.937 136 K CB 0.187 32.647 32.500 -0.066 0.000 0.718 136 K HN 0.248 nan 8.250 nan 0.000 0.438 137 D N -0.170 120.206 120.400 -0.040 0.000 2.369 137 D HA 0.159 4.798 4.640 -0.000 0.000 0.211 137 D C 0.411 176.706 176.300 -0.009 0.000 1.077 137 D CA 0.739 54.727 54.000 -0.020 0.000 0.842 137 D CB 0.717 41.515 40.800 -0.004 0.000 0.947 137 D HN 0.480 nan 8.370 nan 0.000 0.509 138 G N 1.513 110.300 108.800 -0.021 0.000 2.819 138 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.682 138 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.682 138 G C 0.576 175.487 174.900 0.018 0.000 1.481 138 G CA -0.096 44.998 45.100 -0.009 0.000 0.904 138 G HN 0.134 nan 8.290 nan 0.000 0.563 139 E N -0.419 119.800 120.200 0.033 0.000 2.017 139 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 139 E C 2.026 178.729 176.600 0.172 0.000 0.997 139 E CA 1.507 57.956 56.400 0.081 0.000 0.804 139 E CB -0.078 29.709 29.700 0.145 0.000 0.757 139 E HN 0.579 nan 8.360 nan 0.000 0.448 140 D N -0.472 120.036 120.400 0.180 0.000 2.133 140 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 140 D C 1.873 178.266 176.300 0.155 0.000 0.997 140 D CA 1.353 55.470 54.000 0.196 0.000 0.840 140 D CB -0.558 40.313 40.800 0.119 0.000 0.947 140 D HN 0.357 nan 8.370 nan 0.000 0.452 141 G N -0.137 108.717 108.800 0.090 0.000 2.432 141 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 141 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 141 G C 1.545 176.488 174.900 0.072 0.000 1.135 141 G CA 0.729 45.866 45.100 0.061 0.000 0.767 141 G HN 0.382 nan 8.290 nan 0.000 0.550 142 Y N 0.096 120.355 120.300 -0.070 0.000 2.220 142 Y HA 0.096 4.646 4.550 -0.000 0.000 0.291 142 Y C 2.147 177.971 175.900 -0.127 0.000 1.129 142 Y CA 1.099 59.094 58.100 -0.174 0.000 1.161 142 Y CB -0.078 38.169 38.460 -0.354 0.000 0.997 142 Y HN 0.106 nan 8.280 nan 0.000 0.522 143 F N -0.027 119.786 119.950 -0.229 0.000 2.502 143 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 143 F C 0.925 176.588 175.800 -0.229 0.000 1.111 143 F CA 0.741 58.535 58.000 -0.343 0.000 1.445 143 F CB -1.141 37.774 39.000 -0.142 0.000 1.081 143 F HN 0.105 nan 8.300 nan 0.000 0.558 144 H N 0.270 119.334 119.070 -0.010 0.000 2.929 144 H HA 0.433 4.989 4.556 -0.000 0.000 0.317 144 H C 0.604 175.904 175.328 -0.046 0.000 1.031 144 H CA 0.611 56.650 56.048 -0.015 0.000 1.466 144 H CB -0.157 29.600 29.762 -0.008 0.000 1.482 144 H HN 0.363 nan 8.280 nan 0.000 0.561 145 G N 3.613 112.061 108.800 -0.587 0.000 2.498 145 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.651 145 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.651 145 G C -1.211 173.595 174.900 -0.157 0.000 1.284 145 G CA -0.810 44.075 45.100 -0.358 0.000 0.950 145 G HN 0.626 nan 8.290 nan 0.000 0.511 146 K N -0.703 119.661 120.400 -0.060 0.000 2.154 146 K HA 0.277 4.596 4.320 -0.000 0.000 0.264 146 K C 1.054 177.734 176.600 0.133 0.000 1.008 146 K CA -0.298 56.016 56.287 0.045 0.000 0.937 146 K CB 1.173 33.720 32.500 0.077 0.000 1.002 146 K HN 0.669 nan 8.250 nan 0.000 0.469 147 W N 3.123 124.428 121.300 0.010 0.000 2.290 147 W HA -0.359 4.301 4.660 -0.000 0.000 0.318 147 W C 1.707 178.404 176.519 0.296 0.000 1.248 147 W CA 3.087 60.480 57.345 0.079 0.000 1.263 147 W CB -0.338 29.047 29.460 -0.124 0.000 1.147 147 W HN 0.743 nan 8.180 nan 0.000 0.494 148 A N 0.399 123.322 122.820 0.172 0.000 1.978 148 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 148 A C 2.097 179.616 177.584 -0.108 0.000 1.170 148 A CA 1.919 54.002 52.037 0.077 0.000 0.636 148 A CB -1.041 18.144 19.000 0.308 0.000 0.810 148 A HN 0.502 nan 8.150 nan 0.000 0.448 149 R N -0.405 120.057 120.500 -0.063 0.000 2.159 149 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 149 R C 1.908 178.022 176.300 -0.310 0.000 1.131 149 R CA 1.504 57.525 56.100 -0.131 0.000 0.982 149 R CB -0.523 29.736 30.300 -0.068 0.000 0.868 149 R HN 0.432 nan 8.270 nan 0.000 0.453 150 G N -1.032 107.551 108.800 -0.362 0.000 2.777 150 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.211 150 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.211 150 G C 1.299 175.516 174.900 -1.138 0.000 1.149 150 G CA 0.301 44.997 45.100 -0.672 0.000 0.785 150 G HN 0.448 nan 8.290 nan 0.000 0.536 151 G N 1.855 109.793 108.800 -1.435 0.000 2.469 151 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 151 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 151 G C 0.168 174.107 174.900 -1.600 0.000 1.136 151 G CA 1.243 44.868 45.100 -2.459 0.000 0.759 151 G HN 0.503 nan 8.290 nan 0.000 0.562 152 P HA 0.243 nan 4.420 nan 0.000 0.268 152 P C 0.571 177.621 177.300 -0.417 0.000 1.329 152 P CA 0.382 63.148 63.100 -0.556 0.000 0.899 152 P CB 0.988 32.476 31.700 -0.353 0.000 1.378 153 E N -0.164 119.708 120.200 -0.547 0.000 2.372 153 E HA 0.219 4.569 4.350 -0.000 0.000 0.201 153 E C 0.680 177.010 176.600 -0.450 0.000 0.938 153 E CA 0.273 56.420 56.400 -0.422 0.000 0.944 153 E CB 0.681 30.141 29.700 -0.400 0.000 0.937 153 E HN 0.350 nan 8.360 nan 0.000 0.495 154 I N 2.126 122.281 120.570 -0.693 0.000 2.412 154 I HA 0.051 4.221 4.170 -0.000 0.000 0.279 154 I C 0.745 176.596 176.117 -0.443 0.000 1.063 154 I CA -0.251 60.654 61.300 -0.659 0.000 1.193 154 I CB 1.200 38.507 38.000 -1.154 0.000 1.370 154 I HN -0.191 nan 8.210 nan 0.000 0.479 155 V N 0.459 120.253 119.914 -0.199 0.000 3.426 155 V HA 0.361 4.481 4.120 -0.000 0.000 0.271 155 V C 0.600 176.709 176.094 0.025 0.000 1.530 155 V CA -0.197 62.065 62.300 -0.063 0.000 1.021 155 V CB -0.125 31.660 31.823 -0.063 0.000 0.824 155 V HN 0.479 nan 8.190 nan 0.000 0.432 156 N N 3.023 121.737 118.700 0.023 0.000 2.518 156 N HA 0.345 5.085 4.740 -0.000 0.000 0.283 156 N C -0.678 174.914 175.510 0.137 0.000 1.119 156 N CA -0.228 52.875 53.050 0.088 0.000 0.983 156 N CB 0.872 39.404 38.487 0.075 0.000 1.139 156 N HN 0.345 nan 8.380 nan 0.000 0.465 157 N N 1.113 119.932 118.700 0.199 0.000 2.479 157 N HA -0.015 4.725 4.740 -0.000 0.000 0.257 157 N C 0.222 175.912 175.510 0.300 0.000 1.232 157 N CA -0.408 52.772 53.050 0.217 0.000 0.920 157 N CB 0.361 38.943 38.487 0.159 0.000 1.105 157 N HN 0.426 nan 8.380 nan 0.000 0.444 158 L N 1.226 122.579 121.223 0.217 0.000 2.678 158 L HA 0.177 4.517 4.340 -0.000 0.000 0.285 158 L C 0.733 177.863 176.870 0.433 0.000 1.233 158 L CA 0.772 55.727 54.840 0.191 0.000 0.920 158 L CB -1.080 41.001 42.059 0.037 0.000 1.176 158 L HN 0.727 nan 8.230 nan 0.000 0.495 159 G N 3.404 112.375 108.800 0.284 0.000 2.664 159 G HA2 0.268 4.228 3.960 -0.000 0.000 0.303 159 G HA3 0.268 4.228 3.960 -0.000 0.000 0.303 159 G C 0.639 175.513 174.900 -0.043 0.000 1.243 159 G CA 0.070 45.287 45.100 0.195 0.000 0.826 159 G HN 0.741 nan 8.290 nan 0.000 0.498 160 C N 0.800 119.958 119.300 -0.236 0.000 2.398 160 C HA 0.112 4.572 4.460 -0.000 0.000 0.276 160 C C 3.328 178.195 174.990 -0.206 0.000 1.222 160 C CA 1.844 60.723 59.018 -0.232 0.000 1.746 160 C CB -1.456 26.000 27.740 -0.474 0.000 2.039 160 C HN 0.859 nan 8.230 nan 0.000 0.470 161 A N 0.383 123.093 122.820 -0.183 0.000 2.209 161 A HA -0.089 4.231 4.320 -0.000 0.000 0.212 161 A C 1.708 179.194 177.584 -0.164 0.000 1.158 161 A CA 1.323 53.247 52.037 -0.188 0.000 0.742 161 A CB -0.458 18.470 19.000 -0.119 0.000 0.790 161 A HN 0.597 nan 8.150 nan 0.000 0.472 162 D N -0.641 119.686 120.400 -0.122 0.000 2.144 162 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 162 D C 1.464 177.658 176.300 -0.175 0.000 0.978 162 D CA 1.530 55.455 54.000 -0.125 0.000 0.833 162 D CB -0.014 40.745 40.800 -0.069 0.000 0.961 162 D HN 0.503 nan 8.370 nan 0.000 0.470 163 C N -0.882 118.297 119.300 -0.201 0.000 3.364 163 C HA 0.182 4.642 4.460 -0.000 0.000 0.340 163 C C 0.635 175.355 174.990 -0.449 0.000 1.336 163 C CA -0.417 58.416 59.018 -0.308 0.000 1.778 163 C CB 0.180 27.731 27.740 -0.315 0.000 2.398 163 C HN 0.245 nan 8.230 nan 0.000 0.667 164 H N 1.508 120.409 119.070 -0.281 0.000 2.495 164 H HA 0.240 4.796 4.556 -0.000 0.000 0.348 164 H C -0.635 174.393 175.328 -0.500 0.000 1.113 164 H CA -0.128 55.664 56.048 -0.428 0.000 1.195 164 H CB 0.961 30.278 29.762 -0.742 0.000 1.521 164 H HN 0.044 nan 8.280 nan 0.000 0.509 165 N N 2.126 120.658 118.700 -0.280 0.000 2.819 165 N HA -0.062 4.678 4.740 -0.000 0.000 0.284 165 N C 1.055 176.312 175.510 -0.421 0.000 1.196 165 N CA 0.027 52.916 53.050 -0.269 0.000 1.114 165 N CB 0.173 38.578 38.487 -0.137 0.000 1.437 165 N HN 0.676 nan 8.380 nan 0.000 0.518 166 T N -0.796 113.401 114.554 -0.594 0.000 2.977 166 T HA -0.100 4.250 4.350 -0.000 0.000 0.271 166 T C 1.715 176.347 174.700 -0.113 0.000 1.105 166 T CA 0.955 62.629 62.100 -0.710 0.000 1.116 166 T CB -0.134 68.383 68.868 -0.585 0.000 0.878 166 T HN 0.297 nan 8.240 nan 0.000 0.509 167 A N 1.577 124.354 122.820 -0.072 0.000 1.898 167 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 167 A C 1.732 179.344 177.584 0.046 0.000 1.181 167 A CA 0.989 53.035 52.037 0.014 0.000 0.620 167 A CB -1.032 17.957 19.000 -0.018 0.000 0.819 167 A HN 0.584 nan 8.150 nan 0.000 0.442 168 S N 0.611 116.328 115.700 0.027 0.000 2.558 168 S HA 0.118 4.588 4.470 -0.000 0.000 0.293 168 S C -0.834 173.840 174.600 0.123 0.000 1.292 168 S CA -0.455 57.785 58.200 0.066 0.000 1.063 168 S CB 0.652 63.891 63.200 0.065 0.000 0.831 168 S HN 0.336 nan 8.310 nan 0.000 0.499 169 P HA -0.039 nan 4.420 nan 0.000 0.226 169 P C 0.853 178.212 177.300 0.097 0.000 1.153 169 P CA 0.730 63.883 63.100 0.088 0.000 0.777 169 P CB 0.206 31.937 31.700 0.053 0.000 0.794 170 E N -0.771 119.492 120.200 0.104 0.000 2.208 170 E HA -0.083 4.266 4.350 -0.000 0.000 0.193 170 E C 1.692 178.370 176.600 0.131 0.000 0.988 170 E CA 0.586 57.044 56.400 0.096 0.000 0.828 170 E CB -0.978 28.773 29.700 0.086 0.000 0.763 170 E HN 0.192 nan 8.360 nan 0.000 0.478 171 F N 0.149 120.105 119.950 0.011 0.000 2.146 171 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 171 F C 2.028 177.894 175.800 0.110 0.000 1.096 171 F CA 1.242 59.229 58.000 -0.022 0.000 1.275 171 F CB -0.168 38.777 39.000 -0.091 0.000 1.008 171 F HN 0.092 nan 8.300 nan 0.000 0.480 172 A N 0.422 123.329 122.820 0.144 0.000 1.940 172 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 172 A C 2.083 179.658 177.584 -0.015 0.000 1.176 172 A CA 1.922 53.996 52.037 0.062 0.000 0.631 172 A CB -0.701 18.339 19.000 0.068 0.000 0.814 172 A HN 0.470 nan 8.150 nan 0.000 0.446 173 K N -1.587 118.815 120.400 0.004 0.000 2.442 173 K HA 0.119 4.439 4.320 -0.000 0.000 0.198 173 K C 1.099 177.685 176.600 -0.025 0.000 1.042 173 K CA 0.546 56.825 56.287 -0.014 0.000 0.958 173 K CB -0.178 32.325 32.500 0.006 0.000 0.766 173 K HN 0.747 nan 8.250 nan 0.000 0.474 174 G N 1.434 110.202 108.800 -0.052 0.000 2.163 174 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.213 174 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.213 174 G C -0.335 174.514 174.900 -0.084 0.000 0.991 174 G CA -0.450 44.597 45.100 -0.088 0.000 0.653 174 G HN 0.175 nan 8.290 nan 0.000 0.518 175 K N 0.674 121.054 120.400 -0.033 0.000 2.218 175 K HA 0.355 4.675 4.320 -0.000 0.000 0.276 175 K C -1.295 175.363 176.600 0.096 0.000 1.022 175 K CA -1.460 54.845 56.287 0.031 0.000 0.946 175 K CB 1.568 34.101 32.500 0.054 0.000 1.000 175 K HN -0.059 nan 8.250 nan 0.000 0.468 176 P HA -0.222 nan 4.420 nan 0.000 0.214 176 P C -0.632 176.917 177.300 0.415 0.000 1.163 176 P CA 1.152 64.441 63.100 0.315 0.000 0.889 176 P CB 0.188 32.024 31.700 0.227 0.000 0.790 177 E N -1.600 118.740 120.200 0.234 0.000 2.269 177 E HA -0.200 4.150 4.350 -0.000 0.000 0.223 177 E C -0.134 176.548 176.600 0.137 0.000 1.244 177 E CA 0.445 56.944 56.400 0.166 0.000 0.713 177 E CB -2.165 27.625 29.700 0.150 0.000 1.178 177 E HN 0.403 nan 8.360 nan 0.000 0.370 178 L N -0.183 121.118 121.223 0.131 0.000 2.573 178 L HA -0.013 4.327 4.340 -0.000 0.000 0.290 178 L C 1.130 178.049 176.870 0.081 0.000 1.247 178 L CA 1.279 56.147 54.840 0.047 0.000 0.876 178 L CB 0.187 42.317 42.059 0.119 0.000 1.123 178 L HN 0.146 nan 8.230 nan 0.000 0.505 179 T N 3.118 117.594 114.554 -0.130 0.000 2.853 179 T HA 0.473 4.823 4.350 -0.000 0.000 0.311 179 T C -0.868 173.449 174.700 -0.638 0.000 1.307 179 T CA -0.690 61.202 62.100 -0.347 0.000 1.019 179 T CB 1.027 69.755 68.868 -0.234 0.000 1.264 179 T HN 0.333 nan 8.240 nan 0.000 0.497 180 L N 3.593 124.261 121.223 -0.924 0.000 2.260 180 L HA 0.361 4.700 4.340 -0.000 0.000 0.289 180 L C 1.460 178.055 176.870 -0.458 0.000 1.057 180 L CA -0.472 53.959 54.840 -0.682 0.000 0.811 180 L CB 1.513 43.126 42.059 -0.744 0.000 1.184 180 L HN 0.876 nan 8.230 nan 0.000 0.429 181 S N 2.102 117.578 115.700 -0.374 0.000 2.548 181 S HA 0.153 4.623 4.470 -0.000 0.000 0.215 181 S C 0.718 175.104 174.600 -0.358 0.000 0.976 181 S CA -0.377 57.634 58.200 -0.316 0.000 0.908 181 S CB 0.159 63.203 63.200 -0.261 0.000 0.781 181 S HN 0.501 nan 8.310 nan 0.000 0.519 182 R N 2.336 122.560 120.500 -0.461 0.000 2.246 182 R HA 0.341 4.681 4.340 -0.000 0.000 0.332 182 R C -2.198 173.664 176.300 -0.731 0.000 0.974 182 R CA -2.267 53.404 56.100 -0.715 0.000 0.837 182 R CB 0.762 30.426 30.300 -1.061 0.000 1.145 182 R HN 0.193 nan 8.270 nan 0.000 0.467 183 P HA -0.186 nan 4.420 nan 0.000 0.218 183 P C 0.961 178.067 177.300 -0.323 0.000 1.148 183 P CA 1.404 64.308 63.100 -0.327 0.000 0.822 183 P CB -0.012 31.590 31.700 -0.164 0.000 0.784 184 Y N -0.387 119.808 120.300 -0.174 0.000 2.352 184 Y HA 0.205 4.755 4.550 -0.000 0.000 0.292 184 Y C 2.482 178.020 175.900 -0.604 0.000 1.136 184 Y CA 0.569 58.486 58.100 -0.305 0.000 1.227 184 Y CB -1.945 36.384 38.460 -0.220 0.000 0.991 184 Y HN -0.100 nan 8.280 nan 0.000 0.545 185 A N 1.387 123.743 122.820 -0.774 0.000 1.929 185 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 185 A C 2.494 179.861 177.584 -0.363 0.000 1.176 185 A CA 1.455 53.137 52.037 -0.592 0.000 0.628 185 A CB -1.263 17.533 19.000 -0.339 0.000 0.816 185 A HN 0.576 nan 8.150 nan 0.000 0.444 186 A N 0.010 122.635 122.820 -0.325 0.000 1.908 186 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 186 A C 2.239 179.753 177.584 -0.117 0.000 1.181 186 A CA 1.689 53.616 52.037 -0.183 0.000 0.627 186 A CB -0.491 18.398 19.000 -0.184 0.000 0.818 186 A HN 0.532 nan 8.150 nan 0.000 0.445 187 R N -0.707 119.697 120.500 -0.159 0.000 2.083 187 R HA -0.128 4.212 4.340 -0.000 0.000 0.237 187 R C 2.496 178.744 176.300 -0.086 0.000 1.137 187 R CA 1.378 57.416 56.100 -0.103 0.000 0.951 187 R CB -0.475 29.757 30.300 -0.113 0.000 0.851 187 R HN 0.525 nan 8.270 nan 0.000 0.434 188 A N 0.563 123.255 122.820 -0.212 0.000 1.933 188 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 188 A C 2.051 179.751 177.584 0.192 0.000 1.175 188 A CA 1.267 53.225 52.037 -0.132 0.000 0.628 188 A CB -0.272 18.367 19.000 -0.601 0.000 0.814 188 A HN 0.135 nan 8.150 nan 0.000 0.444 189 M N -0.218 119.470 119.600 0.147 0.000 2.229 189 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 189 M C 1.843 178.265 176.300 0.204 0.000 1.063 189 M CA 1.238 56.691 55.300 0.255 0.000 1.114 189 M CB -1.428 31.294 32.600 0.204 0.000 1.387 189 M HN 0.544 nan 8.290 nan 0.000 0.420 190 E N 0.447 120.725 120.200 0.130 0.000 2.031 190 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 190 E C 2.074 178.748 176.600 0.122 0.000 0.994 190 E CA 1.297 57.761 56.400 0.106 0.000 0.800 190 E CB -0.241 29.497 29.700 0.064 0.000 0.752 190 E HN 0.492 nan 8.360 nan 0.000 0.447 191 A N 0.907 123.805 122.820 0.129 0.000 2.042 191 A HA -0.205 4.115 4.320 -0.000 0.000 0.222 191 A C 1.975 179.669 177.584 0.182 0.000 1.167 191 A CA 1.303 53.429 52.037 0.147 0.000 0.649 191 A CB -0.308 18.787 19.000 0.158 0.000 0.809 191 A HN 0.174 nan 8.150 nan 0.000 0.457 192 I N -1.620 119.090 120.570 0.233 0.000 3.928 192 I HA 0.275 4.445 4.170 -0.000 0.000 0.335 192 I C 1.500 177.702 176.117 0.142 0.000 1.325 192 I CA 0.703 62.126 61.300 0.206 0.000 1.107 192 I CB -0.005 38.170 38.000 0.292 0.000 1.014 192 I HN 0.477 nan 8.210 nan 0.000 0.400 193 G N 1.011 109.887 108.800 0.128 0.000 2.141 193 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 193 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 193 G C 0.551 175.512 174.900 0.100 0.000 0.982 193 G CA -0.045 45.112 45.100 0.095 0.000 0.662 193 G HN 0.413 nan 8.290 nan 0.000 0.527 194 K N 0.843 121.324 120.400 0.133 0.000 2.877 194 K HA 0.329 4.649 4.320 -0.000 0.000 0.176 194 K C -2.870 173.810 176.600 0.135 0.000 1.075 194 K CA -1.832 54.534 56.287 0.133 0.000 0.939 194 K CB 1.861 34.467 32.500 0.176 0.000 1.237 194 K HN 0.104 nan 8.250 nan 0.000 0.607 195 P HA -0.105 nan 4.420 nan 0.000 0.261 195 P C 0.374 177.753 177.300 0.130 0.000 1.183 195 P CA 0.054 63.221 63.100 0.112 0.000 0.761 195 P CB 0.264 32.009 31.700 0.076 0.000 0.785 196 F N 5.013 124.974 119.950 0.019 0.000 2.043 196 F HA -0.275 4.252 4.527 -0.000 0.000 0.297 196 F C 2.093 177.897 175.800 0.006 0.000 1.121 196 F CA 2.032 60.038 58.000 0.010 0.000 1.199 196 F CB -0.230 38.758 39.000 -0.021 0.000 0.968 196 F HN 0.384 nan 8.300 nan 0.000 0.478 197 E N 0.719 121.014 120.200 0.159 0.000 2.409 197 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 197 E C 1.468 178.038 176.600 -0.050 0.000 1.024 197 E CA 1.250 57.676 56.400 0.044 0.000 0.861 197 E CB -0.649 29.119 29.700 0.114 0.000 0.788 197 E HN 0.522 nan 8.360 nan 0.000 0.521 198 K N 0.352 120.727 120.400 -0.042 0.000 2.361 198 K HA 0.288 4.608 4.320 -0.000 0.000 0.194 198 K C 0.808 177.365 176.600 -0.070 0.000 1.032 198 K CA 0.329 56.591 56.287 -0.040 0.000 1.048 198 K CB 0.704 33.203 32.500 -0.002 0.000 0.842 198 K HN 0.110 nan 8.250 nan 0.000 0.526 199 A N 1.490 124.232 122.820 -0.129 0.000 2.386 199 A HA 0.442 4.762 4.320 -0.000 0.000 0.248 199 A C 0.628 178.125 177.584 -0.145 0.000 1.082 199 A CA -0.048 51.919 52.037 -0.115 0.000 0.789 199 A CB 0.185 19.104 19.000 -0.136 0.000 1.025 199 A HN 0.259 nan 8.150 nan 0.000 0.490 200 G N -0.647 108.117 108.800 -0.061 0.000 2.599 200 G HA2 0.336 4.296 3.960 -0.000 0.000 0.264 200 G HA3 0.336 4.296 3.960 -0.000 0.000 0.264 200 G C 0.933 175.760 174.900 -0.122 0.000 1.200 200 G CA 0.025 45.095 45.100 -0.050 0.000 0.896 200 G HN 0.966 nan 8.290 nan 0.000 0.536 201 R N -0.332 120.054 120.500 -0.191 0.000 2.119 201 R HA -0.177 4.163 4.340 -0.000 0.000 0.246 201 R C 1.930 177.961 176.300 -0.450 0.000 1.146 201 R CA 1.958 57.819 56.100 -0.398 0.000 0.962 201 R CB -0.333 29.589 30.300 -0.630 0.000 0.863 201 R HN 0.537 nan 8.270 nan 0.000 0.442 202 F N 0.735 120.686 119.950 0.002 0.000 2.234 202 F HA -0.033 4.494 4.527 -0.000 0.000 0.296 202 F C 2.158 178.001 175.800 0.071 0.000 1.089 202 F CA 0.898 58.919 58.000 0.036 0.000 1.343 202 F CB -0.305 38.722 39.000 0.045 0.000 1.040 202 F HN 0.014 nan 8.300 nan 0.000 0.498 203 D N 0.106 120.627 120.400 0.201 0.000 2.149 203 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 203 D C 2.107 178.483 176.300 0.127 0.000 0.990 203 D CA 1.144 55.262 54.000 0.196 0.000 0.839 203 D CB -0.407 40.482 40.800 0.148 0.000 0.948 203 D HN 0.386 nan 8.370 nan 0.000 0.460 204 Q N 0.034 119.812 119.800 -0.037 0.000 2.167 204 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 204 Q C 2.177 178.237 176.000 0.100 0.000 0.970 204 Q CA 0.761 56.517 55.803 -0.077 0.000 0.855 204 Q CB -0.044 28.455 28.738 -0.397 0.000 0.911 204 Q HN 0.465 nan 8.270 nan 0.000 0.438 205 Q N -0.145 119.674 119.800 0.032 0.000 2.084 205 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 205 Q C 2.100 178.118 176.000 0.029 0.000 0.978 205 Q CA 1.489 57.306 55.803 0.022 0.000 0.844 205 Q CB 0.007 28.753 28.738 0.013 0.000 0.898 205 Q HN 0.195 nan 8.270 nan 0.000 0.426 206 S N 0.243 115.971 115.700 0.045 0.000 2.436 206 S HA 0.009 4.479 4.470 -0.000 0.000 0.228 206 S C 1.834 176.534 174.600 0.167 0.000 1.014 206 S CA 0.619 58.788 58.200 -0.052 0.000 0.950 206 S CB 0.007 63.016 63.200 -0.318 0.000 0.784 206 S HN 0.280 nan 8.310 nan 0.000 0.504 207 M N 1.211 120.956 119.600 0.241 0.000 2.159 207 M HA -0.097 4.382 4.480 -0.000 0.000 0.263 207 M C 2.288 178.646 176.300 0.096 0.000 1.063 207 M CA 1.158 56.569 55.300 0.187 0.000 1.110 207 M CB -0.696 32.104 32.600 0.333 0.000 1.374 207 M HN 0.373 nan 8.290 nan 0.000 0.411 208 V N -2.243 117.727 119.914 0.095 0.000 2.392 208 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 208 V C 2.064 178.162 176.094 0.007 0.000 1.059 208 V CA 1.948 64.241 62.300 -0.011 0.000 1.051 208 V CB -1.614 30.176 31.823 -0.055 0.000 0.658 208 V HN 0.577 nan 8.190 nan 0.000 0.455 209 C N 1.769 121.092 119.300 0.039 0.000 2.435 209 C HA 0.162 4.621 4.460 -0.000 0.000 0.279 209 C C 2.922 178.009 174.990 0.161 0.000 1.321 209 C CA 0.567 59.642 59.018 0.096 0.000 1.752 209 C CB -1.993 25.744 27.740 -0.005 0.000 1.959 209 C HN 0.708 nan 8.230 nan 0.000 0.500 210 G N -0.105 108.768 108.800 0.121 0.000 2.708 210 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.210 210 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.210 210 G C 1.527 176.482 174.900 0.092 0.000 1.141 210 G CA 0.123 45.260 45.100 0.061 0.000 0.788 210 G HN 0.712 nan 8.290 nan 0.000 0.531 211 Q N -0.938 118.911 119.800 0.082 0.000 2.230 211 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 211 Q C 2.006 178.127 176.000 0.202 0.000 0.963 211 Q CA 1.263 57.141 55.803 0.125 0.000 0.866 211 Q CB 0.029 28.752 28.738 -0.025 0.000 0.931 211 Q HN 0.610 nan 8.270 nan 0.000 0.452 212 C N -2.088 117.252 119.300 0.066 0.000 3.276 212 C HA 0.143 4.603 4.460 -0.000 0.000 0.512 212 C C 1.032 175.909 174.990 -0.189 0.000 1.376 212 C CA -0.514 58.469 59.018 -0.058 0.000 2.319 212 C CB -0.173 27.469 27.740 -0.164 0.000 3.330 212 C HN 0.412 nan 8.230 nan 0.000 0.596 213 H N 2.345 121.421 119.070 0.009 0.000 3.319 213 H HA 0.370 4.926 4.556 -0.000 0.000 0.213 213 H C 0.048 175.510 175.328 0.225 0.000 1.782 213 H CA 0.850 56.930 56.048 0.053 0.000 1.339 213 H CB -0.333 29.464 29.762 0.057 0.000 1.651 213 H HN 0.467 nan 8.280 nan 0.000 0.622 214 V N -1.288 118.800 119.914 0.290 0.000 3.159 214 V HA 0.397 4.517 4.120 -0.000 0.000 0.308 214 V C -0.184 176.095 176.094 0.307 0.000 1.190 214 V CA -1.415 61.047 62.300 0.270 0.000 1.037 214 V CB 2.765 34.472 31.823 -0.193 0.000 1.060 214 V HN 0.176 nan 8.190 nan 0.000 0.437 215 E N 2.038 122.404 120.200 0.277 0.000 2.338 215 E HA 0.537 4.886 4.350 -0.000 0.000 0.272 215 E C -0.942 175.771 176.600 0.187 0.000 1.029 215 E CA 0.106 56.622 56.400 0.194 0.000 0.872 215 E CB 0.773 30.645 29.700 0.287 0.000 1.015 215 E HN 1.002 nan 8.360 nan 0.000 0.417 216 Y N 2.040 122.413 120.300 0.121 0.000 2.644 216 Y HA 0.691 5.241 4.550 -0.000 0.000 0.338 216 Y C -1.484 174.580 175.900 0.274 0.000 1.119 216 Y CA -1.499 56.716 58.100 0.191 0.000 1.060 216 Y CB 0.761 39.305 38.460 0.141 0.000 1.294 216 Y HN 0.544 nan 8.280 nan 0.000 0.472 217 Y N -0.853 119.492 120.300 0.075 0.000 2.677 217 Y HA 0.804 5.354 4.550 -0.000 0.000 0.334 217 Y C -2.203 173.817 175.900 0.201 0.000 1.154 217 Y CA -3.043 54.997 58.100 -0.101 0.000 1.070 217 Y CB 0.950 39.246 38.460 -0.273 0.000 1.294 217 Y HN 0.468 nan 8.280 nan 0.000 0.475 218 F N 1.887 121.854 119.950 0.028 0.000 2.405 218 F HA 0.374 4.901 4.527 -0.000 0.000 0.355 218 F C -0.147 175.531 175.800 -0.204 0.000 1.121 218 F CA -1.114 56.826 58.000 -0.100 0.000 1.112 218 F CB 0.904 39.966 39.000 0.102 0.000 1.126 218 F HN 0.536 nan 8.300 nan 0.000 0.481 219 D N 1.781 122.049 120.400 -0.220 0.000 2.193 219 D HA 0.540 5.179 4.640 -0.000 0.000 0.244 219 D C 0.404 176.671 176.300 -0.054 0.000 1.064 219 D CA 0.594 54.480 54.000 -0.190 0.000 0.845 219 D CB 1.445 42.031 40.800 -0.357 0.000 1.148 219 D HN 0.842 nan 8.370 nan 0.000 0.464 220 G N 3.449 112.289 108.800 0.066 0.000 2.796 220 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.226 220 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.226 220 G C 0.719 175.643 174.900 0.039 0.000 1.381 220 G CA 0.072 45.201 45.100 0.049 0.000 0.867 220 G HN 0.573 nan 8.290 nan 0.000 0.552 221 K N -0.095 120.326 120.400 0.035 0.000 2.103 221 K HA -0.028 4.292 4.320 -0.000 0.000 0.204 221 K C 2.164 178.766 176.600 0.003 0.000 1.052 221 K CA 1.255 57.563 56.287 0.035 0.000 0.945 221 K CB -0.151 32.376 32.500 0.045 0.000 0.722 221 K HN 0.358 nan 8.250 nan 0.000 0.443 222 N N 1.366 120.064 118.700 -0.003 0.000 2.519 222 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 222 N C -0.573 174.838 175.510 -0.165 0.000 1.062 222 N CA 0.662 53.691 53.050 -0.035 0.000 0.910 222 N CB -0.055 38.459 38.487 0.045 0.000 0.958 222 N HN 0.084 nan 8.380 nan 0.000 0.445 223 K N -0.781 119.503 120.400 -0.192 0.000 3.393 223 K HA -0.194 4.126 4.320 -0.000 0.000 0.272 223 K C -0.613 175.563 176.600 -0.707 0.000 1.004 223 K CA 0.321 56.414 56.287 -0.324 0.000 0.764 223 K CB -1.521 30.768 32.500 -0.351 0.000 1.373 223 K HN 0.288 nan 8.250 nan 0.000 0.458 224 A N 0.571 122.902 122.820 -0.815 0.000 2.371 224 A HA 0.424 4.744 4.320 -0.000 0.000 0.257 224 A C 0.613 177.627 177.584 -0.951 0.000 1.089 224 A CA -0.554 50.504 52.037 -1.633 0.000 0.794 224 A CB 0.698 19.076 19.000 -1.037 0.000 1.029 224 A HN 0.195 nan 8.150 nan 0.000 0.488 225 V N 1.933 121.274 119.914 -0.954 0.000 2.585 225 V HA 0.279 4.399 4.120 -0.000 0.000 0.296 225 V C 0.442 176.320 176.094 -0.359 0.000 1.035 225 V CA 0.488 62.547 62.300 -0.402 0.000 1.084 225 V CB 0.533 31.983 31.823 -0.621 0.000 0.953 225 V HN 0.911 nan 8.190 nan 0.000 0.483 226 K N 4.940 125.216 120.400 -0.206 0.000 2.535 226 K HA 0.474 4.794 4.320 -0.000 0.000 0.251 226 K C -1.199 175.483 176.600 0.137 0.000 0.942 226 K CA -0.561 55.597 56.287 -0.216 0.000 0.798 226 K CB 1.412 33.652 32.500 -0.434 0.000 1.267 226 K HN 0.495 nan 8.250 nan 0.000 0.434 227 F N 4.950 124.767 119.950 -0.221 0.000 2.438 227 F HA 0.256 4.783 4.527 -0.000 0.000 0.356 227 F C -1.330 174.283 175.800 -0.312 0.000 1.099 227 F CA -2.334 55.414 58.000 -0.420 0.000 1.185 227 F CB 1.082 39.301 39.000 -1.301 0.000 1.115 227 F HN 0.322 nan 8.300 nan 0.000 0.526 228 P HA -0.045 nan 4.420 nan 0.000 0.232 228 P C -0.208 176.941 177.300 -0.252 0.000 1.738 228 P CA 0.163 63.014 63.100 -0.414 0.000 0.948 228 P CB -0.304 31.041 31.700 -0.593 0.000 1.943 229 W N 0.045 121.169 121.300 -0.293 0.000 3.220 229 W HA 0.128 4.788 4.660 -0.000 0.000 0.328 229 W C 1.110 177.538 176.519 -0.152 0.000 1.205 229 W CA -0.310 56.955 57.345 -0.133 0.000 1.773 229 W CB -0.573 28.927 29.460 0.068 0.000 1.086 229 W HN 0.113 nan 8.180 nan 0.000 0.622 230 D N 0.338 120.700 120.400 -0.065 0.000 2.158 230 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 230 D C 0.959 177.297 176.300 0.063 0.000 0.995 230 D CA 1.588 55.609 54.000 0.034 0.000 0.846 230 D CB -0.142 40.712 40.800 0.091 0.000 0.941 230 D HN 0.113 nan 8.370 nan 0.000 0.456 231 D N -0.437 119.981 120.400 0.031 0.000 2.342 231 D HA 0.346 4.986 4.640 -0.000 0.000 0.221 231 D C 1.085 177.406 176.300 0.035 0.000 1.101 231 D CA 0.370 54.405 54.000 0.058 0.000 0.837 231 D CB 0.770 41.624 40.800 0.091 0.000 0.938 231 D HN 0.202 nan 8.370 nan 0.000 0.508 232 G N 0.621 109.438 108.800 0.027 0.000 2.462 232 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.685 232 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.685 232 G C 0.048 174.915 174.900 -0.056 0.000 1.295 232 G CA -0.550 44.543 45.100 -0.011 0.000 0.941 232 G HN 0.070 nan 8.290 nan 0.000 0.554 233 M N 0.138 119.656 119.600 -0.138 0.000 2.346 233 M HA 0.202 4.682 4.480 -0.000 0.000 0.280 233 M C 0.735 176.987 176.300 -0.080 0.000 1.075 233 M CA -0.195 54.975 55.300 -0.217 0.000 0.989 233 M CB 0.341 32.659 32.600 -0.470 0.000 1.447 233 M HN 0.248 nan 8.290 nan 0.000 0.511 234 K N 0.866 121.249 120.400 -0.028 0.000 2.168 234 K HA 0.130 4.450 4.320 -0.000 0.000 0.258 234 K C 1.156 177.809 176.600 0.088 0.000 1.010 234 K CA -0.103 56.191 56.287 0.011 0.000 0.929 234 K CB 1.667 34.171 32.500 0.006 0.000 0.998 234 K HN -0.135 nan 8.250 nan 0.000 0.479 235 V N 1.976 121.946 119.914 0.092 0.000 2.282 235 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 235 V C 2.161 178.421 176.094 0.277 0.000 1.057 235 V CA 2.364 64.775 62.300 0.186 0.000 1.032 235 V CB -0.297 31.565 31.823 0.065 0.000 0.645 235 V HN 0.820 nan 8.190 nan 0.000 0.447 236 E N -0.416 119.877 120.200 0.154 0.000 2.208 236 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 236 E C 1.836 178.505 176.600 0.116 0.000 0.988 236 E CA 1.210 57.688 56.400 0.129 0.000 0.828 236 E CB -0.854 28.884 29.700 0.064 0.000 0.763 236 E HN 0.646 nan 8.360 nan 0.000 0.478 237 N N 1.609 120.370 118.700 0.102 0.000 2.025 237 N HA -0.116 4.624 4.740 -0.000 0.000 0.194 237 N C 2.027 177.601 175.510 0.106 0.000 1.044 237 N CA 1.687 54.787 53.050 0.083 0.000 0.851 237 N CB -0.461 38.056 38.487 0.051 0.000 1.036 237 N HN 0.231 nan 8.380 nan 0.000 0.422 238 M N 0.789 120.477 119.600 0.148 0.000 2.213 238 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 238 M C 2.120 178.469 176.300 0.082 0.000 1.062 238 M CA 1.141 56.505 55.300 0.108 0.000 1.105 238 M CB -0.226 32.578 32.600 0.340 0.000 1.385 238 M HN 0.243 nan 8.290 nan 0.000 0.417 239 E N 0.355 120.661 120.200 0.177 0.000 2.031 239 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 239 E C 2.072 178.685 176.600 0.022 0.000 0.994 239 E CA 1.284 57.699 56.400 0.026 0.000 0.800 239 E CB 0.137 29.924 29.700 0.145 0.000 0.752 239 E HN 0.495 nan 8.360 nan 0.000 0.447 240 Q N -0.384 119.444 119.800 0.047 0.000 2.119 240 Q HA -0.212 4.128 4.340 -0.000 0.000 0.201 240 Q C 2.093 178.110 176.000 0.029 0.000 0.972 240 Q CA 1.338 57.159 55.803 0.030 0.000 0.847 240 Q CB -0.746 28.012 28.738 0.034 0.000 0.903 240 Q HN 0.491 nan 8.270 nan 0.000 0.433 241 Y N 0.879 121.117 120.300 -0.103 0.000 2.128 241 Y HA -0.315 4.235 4.550 -0.000 0.000 0.284 241 Y C 1.942 177.714 175.900 -0.214 0.000 1.154 241 Y CA 1.615 59.609 58.100 -0.177 0.000 1.149 241 Y CB -0.444 37.853 38.460 -0.271 0.000 0.976 241 Y HN -0.042 nan 8.280 nan 0.000 0.505 242 Y N 0.681 120.889 120.300 -0.154 0.000 2.293 242 Y HA -0.190 4.360 4.550 -0.000 0.000 0.291 242 Y C 2.271 178.034 175.900 -0.228 0.000 1.137 242 Y CA 1.592 59.510 58.100 -0.303 0.000 1.202 242 Y CB -0.661 37.606 38.460 -0.320 0.000 0.990 242 Y HN 0.226 nan 8.280 nan 0.000 0.537 243 D N -0.330 120.070 120.400 0.000 0.000 2.117 243 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 243 D C 2.036 178.305 176.300 -0.052 0.000 0.982 243 D CA 0.916 54.911 54.000 -0.008 0.000 0.828 243 D CB -0.039 40.784 40.800 0.038 0.000 0.967 243 D HN 0.113 nan 8.370 nan 0.000 0.464 244 K N 0.925 121.267 120.400 -0.095 0.000 2.074 244 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 244 K C 2.079 178.612 176.600 -0.113 0.000 1.048 244 K CA 0.777 57.004 56.287 -0.102 0.000 0.926 244 K CB -0.671 31.751 32.500 -0.131 0.000 0.713 244 K HN 0.437 nan 8.250 nan 0.000 0.444 245 I N -2.528 117.939 120.570 -0.171 0.000 3.855 245 I HA 0.350 4.520 4.170 -0.000 0.000 0.327 245 I C 0.234 176.341 176.117 -0.018 0.000 1.359 245 I CA -0.072 61.164 61.300 -0.107 0.000 1.142 245 I CB -0.255 37.644 38.000 -0.168 0.000 1.041 245 I HN -0.029 nan 8.210 nan 0.000 0.403 246 A N 1.486 124.290 122.820 -0.027 0.000 2.550 246 A HA -0.292 4.028 4.320 -0.000 0.000 0.298 246 A C 0.154 177.734 177.584 -0.005 0.000 1.485 246 A CA 0.836 52.858 52.037 -0.026 0.000 0.780 246 A CB -2.617 16.360 19.000 -0.037 0.000 1.045 246 A HN 0.731 nan 8.150 nan 0.000 0.423 247 F N 0.740 120.623 119.950 -0.112 0.000 2.384 247 F HA 0.603 5.130 4.527 -0.000 0.000 0.338 247 F C 0.532 176.213 175.800 -0.199 0.000 1.103 247 F CA 0.394 58.327 58.000 -0.111 0.000 1.157 247 F CB 1.275 40.223 39.000 -0.087 0.000 1.167 247 F HN 0.205 nan 8.300 nan 0.000 0.529 248 S N 4.709 119.740 115.700 -1.116 0.000 2.541 248 S HA 0.222 4.692 4.470 -0.000 0.000 0.280 248 S C -0.002 173.946 174.600 -1.085 0.000 1.112 248 S CA -0.760 56.912 58.200 -0.881 0.000 0.925 248 S CB 1.818 64.705 63.200 -0.522 0.000 1.067 248 S HN 0.699 nan 8.310 nan 0.000 0.479 249 D N 0.544 120.631 120.400 -0.521 0.000 2.213 249 D HA 0.115 4.755 4.640 -0.000 0.000 0.205 249 D C 0.273 176.652 176.300 0.131 0.000 0.961 249 D CA 1.029 54.962 54.000 -0.112 0.000 0.853 249 D CB 0.397 41.228 40.800 0.051 0.000 0.967 249 D HN 0.689 nan 8.370 nan 0.000 0.496 250 W N -0.791 120.326 121.300 -0.304 0.000 2.946 250 W HA 0.293 4.953 4.660 -0.000 0.000 0.364 250 W C -2.011 174.410 176.519 -0.163 0.000 1.134 250 W CA -0.746 56.501 57.345 -0.162 0.000 1.140 250 W CB 0.424 29.857 29.460 -0.045 0.000 1.463 250 W HN -0.477 nan 8.180 nan 0.000 0.564 251 T N 2.866 117.247 114.554 -0.289 0.000 2.772 251 T HA 0.229 4.579 4.350 -0.000 0.000 0.288 251 T C -0.529 173.984 174.700 -0.313 0.000 0.994 251 T CA -0.457 61.401 62.100 -0.403 0.000 0.951 251 T CB 0.626 69.397 68.868 -0.163 0.000 0.933 251 T HN 0.528 nan 8.240 nan 0.000 0.447 252 N N 1.807 120.212 118.700 -0.492 0.000 2.454 252 N HA 0.007 4.747 4.740 -0.000 0.000 0.260 252 N C 1.408 176.884 175.510 -0.056 0.000 1.218 252 N CA 0.011 52.983 53.050 -0.131 0.000 0.904 252 N CB 0.640 38.981 38.487 -0.243 0.000 1.065 252 N HN 0.533 nan 8.380 nan 0.000 0.462 253 S N 3.005 118.721 115.700 0.026 0.000 2.528 253 S HA 0.028 4.498 4.470 -0.000 0.000 0.219 253 S C 1.508 176.077 174.600 -0.051 0.000 0.985 253 S CA 0.048 58.253 58.200 0.009 0.000 0.914 253 S CB -0.131 63.103 63.200 0.056 0.000 0.776 253 S HN 0.558 nan 8.310 nan 0.000 0.526 254 L N 1.875 123.021 121.223 -0.127 0.000 2.102 254 L HA 0.071 4.411 4.340 -0.000 0.000 0.202 254 L C 2.723 179.532 176.870 -0.102 0.000 1.076 254 L CA 1.362 56.098 54.840 -0.174 0.000 0.761 254 L CB -0.489 41.332 42.059 -0.395 0.000 0.921 254 L HN 0.517 nan 8.230 nan 0.000 0.444 255 S N -2.470 113.193 115.700 -0.063 0.000 2.524 255 S HA 0.097 4.567 4.470 -0.000 0.000 0.215 255 S C 0.839 175.413 174.600 -0.043 0.000 0.986 255 S CA -0.247 57.950 58.200 -0.005 0.000 0.911 255 S CB 0.419 63.694 63.200 0.124 0.000 0.805 255 S HN 0.160 nan 8.310 nan 0.000 0.501 256 K N 1.249 121.607 120.400 -0.069 0.000 3.209 256 K HA -0.108 4.212 4.320 -0.000 0.000 0.289 256 K C -0.409 176.113 176.600 -0.131 0.000 1.191 256 K CA 1.078 57.311 56.287 -0.089 0.000 0.851 256 K CB -2.777 29.684 32.500 -0.065 0.000 1.242 256 K HN 0.615 nan 8.250 nan 0.000 0.480 257 T N 1.820 116.283 114.554 -0.152 0.000 2.869 257 T HA 0.344 4.694 4.350 -0.000 0.000 0.295 257 T C -2.498 172.002 174.700 -0.334 0.000 0.987 257 T CA -1.269 60.709 62.100 -0.204 0.000 1.109 257 T CB 1.238 70.010 68.868 -0.160 0.000 0.932 257 T HN -0.134 nan 8.240 nan 0.000 0.518 258 P HA 0.241 nan 4.420 nan 0.000 0.277 258 P C -0.374 176.631 177.300 -0.491 0.000 1.354 258 P CA -0.316 62.547 63.100 -0.395 0.000 0.891 258 P CB 0.247 31.771 31.700 -0.294 0.000 1.058 259 M N 3.047 122.188 119.600 -0.764 0.000 2.359 259 M HA 0.365 4.845 4.480 -0.000 0.000 0.322 259 M C 0.165 176.121 176.300 -0.574 0.000 1.166 259 M CA -0.623 54.178 55.300 -0.831 0.000 1.067 259 M CB 0.491 32.013 32.600 -1.797 0.000 1.523 259 M HN 0.153 nan 8.290 nan 0.000 0.467 260 L N 1.634 122.683 121.223 -0.289 0.000 2.317 260 L HA 0.464 4.804 4.340 -0.000 0.000 0.281 260 L C -0.120 176.870 176.870 0.199 0.000 1.024 260 L CA -0.777 53.971 54.840 -0.154 0.000 0.810 260 L CB 1.420 43.262 42.059 -0.362 0.000 1.240 260 L HN 0.543 nan 8.230 nan 0.000 0.427 261 K N 2.568 123.039 120.400 0.118 0.000 2.213 261 K HA 0.660 4.980 4.320 -0.000 0.000 0.270 261 K C -0.576 176.049 176.600 0.042 0.000 1.002 261 K CA -0.219 56.077 56.287 0.015 0.000 0.868 261 K CB 1.602 33.870 32.500 -0.386 0.000 1.093 261 K HN 0.599 nan 8.250 nan 0.000 0.454 262 A N 3.888 126.687 122.820 -0.034 0.000 2.340 262 A HA 0.495 4.815 4.320 -0.000 0.000 0.268 262 A C -0.932 176.435 177.584 -0.361 0.000 1.100 262 A CA -0.326 51.602 52.037 -0.182 0.000 0.803 262 A CB 0.502 19.241 19.000 -0.435 0.000 1.043 262 A HN 0.722 nan 8.150 nan 0.000 0.488 263 Q N 0.489 120.074 119.800 -0.359 0.000 2.274 263 Q HA 0.425 4.765 4.340 -0.000 0.000 0.268 263 Q C -1.060 174.605 176.000 -0.558 0.000 1.015 263 Q CA -0.491 54.960 55.803 -0.587 0.000 0.775 263 Q CB 1.348 29.636 28.738 -0.750 0.000 1.256 263 Q HN 0.955 nan 8.270 nan 0.000 0.442 264 H N -0.076 119.053 119.070 0.098 0.000 1.828 264 H HA -0.153 4.403 4.556 -0.000 0.000 0.319 264 H C -2.238 173.199 175.328 0.182 0.000 0.826 264 H CA 0.164 56.310 56.048 0.163 0.000 1.059 264 H CB -1.097 28.815 29.762 0.251 0.000 1.545 264 H HN 0.380 nan 8.280 nan 0.000 0.285 265 P HA 0.024 nan 4.420 nan 0.000 0.212 265 P C 0.515 177.977 177.300 0.270 0.000 1.816 265 P CA -0.302 62.950 63.100 0.254 0.000 0.944 265 P CB 0.460 32.246 31.700 0.144 0.000 1.896 266 E N -0.381 120.014 120.200 0.325 0.000 2.152 266 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 266 E C 1.471 178.195 176.600 0.206 0.000 0.983 266 E CA 0.926 57.474 56.400 0.247 0.000 0.818 266 E CB -1.082 28.732 29.700 0.189 0.000 0.758 266 E HN 0.300 nan 8.360 nan 0.000 0.467 267 Y N 2.454 122.880 120.300 0.211 0.000 2.128 267 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 267 Y C 2.012 178.062 175.900 0.250 0.000 1.154 267 Y CA 2.360 60.611 58.100 0.252 0.000 1.149 267 Y CB 0.008 38.663 38.460 0.325 0.000 0.976 267 Y HN -0.035 nan 8.280 nan 0.000 0.505 268 E N -1.266 119.041 120.200 0.178 0.000 2.106 268 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 268 E C 2.247 178.815 176.600 -0.053 0.000 0.984 268 E CA 1.774 58.148 56.400 -0.043 0.000 0.806 268 E CB -0.406 29.283 29.700 -0.020 0.000 0.750 268 E HN 0.309 nan 8.360 nan 0.000 0.458 269 T N -0.565 114.016 114.554 0.046 0.000 2.937 269 T HA -0.085 4.265 4.350 -0.000 0.000 0.260 269 T C 1.195 175.931 174.700 0.059 0.000 1.051 269 T CA 0.817 62.948 62.100 0.052 0.000 1.141 269 T CB -0.291 68.644 68.868 0.113 0.000 0.879 269 T HN 0.404 nan 8.240 nan 0.000 0.459 270 W N 2.251 123.463 121.300 -0.147 0.000 2.338 270 W HA -0.214 4.446 4.660 -0.000 0.000 0.304 270 W C 2.443 178.841 176.519 -0.202 0.000 1.212 270 W CA 2.265 59.487 57.345 -0.205 0.000 1.264 270 W CB -0.864 28.384 29.460 -0.353 0.000 1.142 270 W HN 0.273 nan 8.180 nan 0.000 0.512 271 T N -1.191 113.061 114.554 -0.502 0.000 2.915 271 T HA -0.060 4.290 4.350 -0.000 0.000 0.269 271 T C 1.825 176.213 174.700 -0.520 0.000 1.071 271 T CA 1.590 63.181 62.100 -0.848 0.000 1.132 271 T CB -0.747 67.785 68.868 -0.559 0.000 0.878 271 T HN 0.204 nan 8.240 nan 0.000 0.479 272 A N 1.294 123.926 122.820 -0.313 0.000 2.066 272 A HA 0.502 4.822 4.320 -0.000 0.000 0.218 272 A C 1.570 179.045 177.584 -0.181 0.000 1.157 272 A CA 0.598 52.513 52.037 -0.204 0.000 0.670 272 A CB -1.029 17.897 19.000 -0.124 0.000 0.804 272 A HN 0.705 nan 8.150 nan 0.000 0.453 273 G N -1.412 107.267 108.800 -0.201 0.000 2.547 273 G HA2 0.394 4.354 3.960 -0.000 0.000 0.291 273 G HA3 0.394 4.354 3.960 -0.000 0.000 0.291 273 G C 0.661 175.468 174.900 -0.156 0.000 1.211 273 G CA -0.179 44.853 45.100 -0.114 0.000 0.950 273 G HN 0.123 nan 8.290 nan 0.000 0.504 274 I N -0.838 119.675 120.570 -0.095 0.000 2.546 274 I HA -0.009 4.161 4.170 -0.000 0.000 0.255 274 I C 2.257 178.258 176.117 -0.194 0.000 1.163 274 I CA 1.356 62.566 61.300 -0.151 0.000 1.457 274 I CB -0.324 37.586 38.000 -0.150 0.000 1.092 274 I HN 0.611 nan 8.210 nan 0.000 0.434 275 H N -0.587 118.430 119.070 -0.090 0.000 2.333 275 H HA 0.052 4.608 4.556 -0.000 0.000 0.302 275 H C 2.265 177.479 175.328 -0.191 0.000 1.075 275 H CA 1.576 57.591 56.048 -0.054 0.000 1.348 275 H CB -0.674 29.137 29.762 0.081 0.000 1.393 275 H HN 0.360 nan 8.280 nan 0.000 0.509 276 G N 0.735 109.279 108.800 -0.427 0.000 2.422 276 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 276 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 276 G C 1.425 175.968 174.900 -0.596 0.000 1.146 276 G CA 0.653 45.118 45.100 -1.058 0.000 0.769 276 G HN 0.312 nan 8.290 nan 0.000 0.547 277 K N 0.304 120.466 120.400 -0.397 0.000 2.281 277 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 277 K C 1.296 177.791 176.600 -0.176 0.000 1.046 277 K CA 0.808 56.942 56.287 -0.255 0.000 0.938 277 K CB -0.004 32.379 32.500 -0.195 0.000 0.737 277 K HN 0.212 nan 8.250 nan 0.000 0.458 278 N N 1.078 119.687 118.700 -0.152 0.000 2.279 278 N HA -0.013 4.727 4.740 -0.000 0.000 0.226 278 N C -0.565 174.916 175.510 -0.049 0.000 1.126 278 N CA 0.029 53.022 53.050 -0.095 0.000 0.846 278 N CB 0.210 38.640 38.487 -0.095 0.000 1.050 278 N HN 0.239 nan 8.380 nan 0.000 0.502 279 N N 0.663 119.335 118.700 -0.046 0.000 2.701 279 N HA -0.185 4.555 4.740 -0.000 0.000 0.250 279 N C -0.898 174.696 175.510 0.139 0.000 1.046 279 N CA -0.175 52.912 53.050 0.062 0.000 0.733 279 N CB -0.499 38.017 38.487 0.049 0.000 0.973 279 N HN -0.073 nan 8.380 nan 0.000 0.541 280 V N 1.899 121.922 119.914 0.183 0.000 2.415 280 V HA 0.086 4.205 4.120 -0.000 0.000 0.267 280 V C 1.227 177.578 176.094 0.428 0.000 1.042 280 V CA 0.188 62.635 62.300 0.245 0.000 1.000 280 V CB 0.721 32.721 31.823 0.294 0.000 1.015 280 V HN 0.322 nan 8.190 nan 0.000 0.478 281 T N 1.716 116.448 114.554 0.296 0.000 2.849 281 T HA 0.106 4.456 4.350 -0.000 0.000 0.284 281 T C 1.382 176.065 174.700 -0.027 0.000 1.004 281 T CA -0.369 61.850 62.100 0.199 0.000 1.021 281 T CB 1.040 70.011 68.868 0.172 0.000 1.013 281 T HN 0.625 nan 8.240 nan 0.000 0.527 282 C N 0.709 119.821 119.300 -0.313 0.000 2.411 282 C HA -0.024 4.436 4.460 -0.000 0.000 0.279 282 C C 2.628 177.592 174.990 -0.044 0.000 1.288 282 C CA -0.124 58.749 59.018 -0.242 0.000 1.764 282 C CB -1.762 25.758 27.740 -0.368 0.000 1.974 282 C HN 0.836 nan 8.230 nan 0.000 0.498 283 I N 1.602 122.149 120.570 -0.038 0.000 2.315 283 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 283 I C 2.118 178.236 176.117 0.002 0.000 1.117 283 I CA 1.511 62.808 61.300 -0.004 0.000 1.404 283 I CB -0.764 37.244 38.000 0.013 0.000 1.071 283 I HN 0.277 nan 8.210 nan 0.000 0.419 284 D N -0.130 120.279 120.400 0.015 0.000 2.158 284 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 284 D C 2.176 178.426 176.300 -0.083 0.000 0.995 284 D CA 1.598 55.592 54.000 -0.011 0.000 0.846 284 D CB -0.124 40.684 40.800 0.015 0.000 0.941 284 D HN 0.384 nan 8.370 nan 0.000 0.456 285 C N -0.949 118.274 119.300 -0.128 0.000 2.535 285 C HA 0.109 4.569 4.460 -0.000 0.000 0.310 285 C C 2.240 177.036 174.990 -0.323 0.000 1.344 285 C CA -0.206 58.647 59.018 -0.275 0.000 1.831 285 C CB -0.471 27.035 27.740 -0.391 0.000 2.284 285 C HN 0.418 nan 8.230 nan 0.000 0.523 286 H N -0.636 118.366 119.070 -0.113 0.000 2.595 286 H HA 0.300 4.856 4.556 -0.000 0.000 0.265 286 H C 0.607 175.880 175.328 -0.091 0.000 0.953 286 H CA 0.791 56.777 56.048 -0.104 0.000 1.197 286 H CB 0.284 29.973 29.762 -0.123 0.000 1.438 286 H HN 0.416 nan 8.280 nan 0.000 0.531 287 M N 2.219 121.829 119.600 0.017 0.000 2.720 287 M HA 0.224 4.703 4.480 -0.000 0.000 0.250 287 M C -2.691 173.587 176.300 -0.037 0.000 1.280 287 M CA -1.572 53.714 55.300 -0.024 0.000 0.579 287 M CB 2.340 34.902 32.600 -0.064 0.000 1.469 287 M HN -0.148 nan 8.290 nan 0.000 0.416 288 P HA 0.061 nan 4.420 nan 0.000 0.269 288 P C -0.747 176.500 177.300 -0.089 0.000 1.209 288 P CA 0.016 63.076 63.100 -0.068 0.000 0.776 288 P CB 0.745 32.395 31.700 -0.083 0.000 0.876 289 K N 1.452 121.807 120.400 -0.074 0.000 2.382 289 K HA 0.383 4.702 4.320 -0.000 0.000 0.275 289 K C 0.216 176.721 176.600 -0.158 0.000 1.009 289 K CA -0.303 55.922 56.287 -0.103 0.000 0.970 289 K CB 0.559 33.037 32.500 -0.037 0.000 0.934 289 K HN 0.307 nan 8.250 nan 0.000 0.479 290 V N 1.470 121.217 119.914 -0.278 0.000 3.203 290 V HA 0.235 4.355 4.120 -0.000 0.000 0.305 290 V C -1.139 174.805 176.094 -0.251 0.000 1.361 290 V CA -0.952 61.179 62.300 -0.282 0.000 1.066 290 V CB 2.643 34.242 31.823 -0.373 0.000 1.085 290 V HN 0.674 nan 8.190 nan 0.000 0.456 291 Q N 1.207 120.961 119.800 -0.077 0.000 2.337 291 Q HA 0.440 4.779 4.340 -0.000 0.000 0.266 291 Q C -0.762 175.391 176.000 0.255 0.000 1.023 291 Q CA -0.858 54.999 55.803 0.090 0.000 0.829 291 Q CB 1.794 30.570 28.738 0.064 0.000 1.306 291 Q HN 0.654 nan 8.270 nan 0.000 0.449 292 N N 0.641 119.547 118.700 0.343 0.000 2.226 292 N HA -0.117 4.622 4.740 -0.000 0.000 0.232 292 N C 0.598 176.189 175.510 0.136 0.000 1.255 292 N CA 0.515 53.699 53.050 0.223 0.000 0.855 292 N CB 0.616 39.179 38.487 0.127 0.000 1.095 292 N HN 0.827 nan 8.380 nan 0.000 0.444 293 A N 1.831 124.711 122.820 0.101 0.000 2.234 293 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 293 A C 0.674 178.291 177.584 0.055 0.000 1.167 293 A CA 1.393 53.472 52.037 0.069 0.000 0.698 293 A CB -0.242 18.790 19.000 0.054 0.000 0.779 293 A HN 0.764 nan 8.150 nan 0.000 0.475 294 E N -1.624 118.611 120.200 0.058 0.000 2.887 294 E HA 0.366 4.716 4.350 -0.000 0.000 0.206 294 E C 0.725 177.356 176.600 0.052 0.000 0.983 294 E CA -0.035 56.391 56.400 0.045 0.000 1.141 294 E CB 0.096 29.814 29.700 0.032 0.000 1.061 294 E HN 0.528 nan 8.360 nan 0.000 0.468 295 G N 2.459 111.300 108.800 0.068 0.000 2.233 295 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.270 295 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.270 295 G C 0.086 175.035 174.900 0.081 0.000 1.011 295 G CA 0.400 45.542 45.100 0.069 0.000 0.762 295 G HN 0.038 nan 8.290 nan 0.000 0.511 296 K N -0.371 120.089 120.400 0.101 0.000 2.322 296 K HA 0.493 4.812 4.320 -0.000 0.000 0.283 296 K C 0.328 177.046 176.600 0.197 0.000 1.042 296 K CA -0.965 55.392 56.287 0.116 0.000 0.958 296 K CB 1.582 34.136 32.500 0.089 0.000 0.984 296 K HN 0.205 nan 8.250 nan 0.000 0.473 297 L N 4.433 125.750 121.223 0.157 0.000 2.326 297 L HA 0.322 4.661 4.340 -0.000 0.000 0.278 297 L C -0.617 176.405 176.870 0.253 0.000 1.092 297 L CA -0.043 54.886 54.840 0.147 0.000 0.810 297 L CB 0.136 42.240 42.059 0.075 0.000 1.153 297 L HN 0.664 nan 8.230 nan 0.000 0.439 298 Y N 0.139 120.475 120.300 0.061 0.000 2.744 298 Y HA 0.694 5.244 4.550 -0.000 0.000 0.330 298 Y C -0.588 175.376 175.900 0.106 0.000 1.263 298 Y CA -1.028 57.120 58.100 0.080 0.000 1.065 298 Y CB 0.876 39.383 38.460 0.078 0.000 1.306 298 Y HN 0.574 nan 8.280 nan 0.000 0.459 299 T N -0.171 114.496 114.554 0.190 0.000 2.771 299 T HA 0.212 4.562 4.350 -0.000 0.000 0.291 299 T C -0.581 174.245 174.700 0.210 0.000 0.954 299 T CA -0.637 61.522 62.100 0.097 0.000 1.045 299 T CB 0.900 69.860 68.868 0.153 0.000 0.917 299 T HN 0.677 nan 8.240 nan 0.000 0.484 300 D N 1.403 121.794 120.400 -0.016 0.000 2.382 300 D HA 0.059 4.699 4.640 -0.000 0.000 0.259 300 D C 0.487 176.918 176.300 0.218 0.000 1.224 300 D CA 0.113 54.177 54.000 0.106 0.000 0.894 300 D CB 0.518 41.314 40.800 -0.006 0.000 1.127 300 D HN 0.688 nan 8.370 nan 0.000 0.487 301 H N 1.897 121.097 119.070 0.216 0.000 2.539 301 H HA 0.103 4.658 4.556 -0.000 0.000 0.269 301 H C 0.502 175.925 175.328 0.159 0.000 0.980 301 H CA 0.130 56.312 56.048 0.224 0.000 1.152 301 H CB 0.305 30.260 29.762 0.322 0.000 1.407 301 H HN 0.232 nan 8.280 nan 0.000 0.564 302 K N 1.959 122.481 120.400 0.203 0.000 2.081 302 K HA 0.046 4.366 4.320 -0.000 0.000 0.230 302 K C -0.617 176.002 176.600 0.032 0.000 1.199 302 K CA -0.110 56.231 56.287 0.089 0.000 1.130 302 K CB -0.763 31.786 32.500 0.081 0.000 1.386 302 K HN 0.277 nan 8.250 nan 0.000 0.280 303 I N 3.024 123.581 120.570 -0.020 0.000 2.494 303 I HA 0.038 4.208 4.170 -0.000 0.000 0.289 303 I C 0.977 177.036 176.117 -0.097 0.000 1.106 303 I CA 0.235 61.484 61.300 -0.084 0.000 1.369 303 I CB 0.622 38.485 38.000 -0.229 0.000 1.410 303 I HN 0.716 nan 8.210 nan 0.000 0.523 304 G N 5.926 114.741 108.800 0.025 0.000 2.791 304 G HA2 0.059 4.019 3.960 -0.000 0.000 0.158 304 G HA3 0.059 4.019 3.960 -0.000 0.000 0.158 304 G C -1.075 173.914 174.900 0.149 0.000 1.193 304 G CA -0.492 44.642 45.100 0.057 0.000 1.032 304 G HN 0.456 nan 8.290 nan 0.000 0.557 305 N N 1.477 120.242 118.700 0.108 0.000 2.430 305 N HA 0.298 5.038 4.740 -0.000 0.000 0.265 305 N C -1.574 173.955 175.510 0.033 0.000 1.100 305 N CA -1.431 51.683 53.050 0.107 0.000 0.961 305 N CB 1.964 40.541 38.487 0.151 0.000 1.075 305 N HN -0.098 nan 8.380 nan 0.000 0.478 306 P HA -0.070 nan 4.420 nan 0.000 0.218 306 P C 0.899 178.122 177.300 -0.128 0.000 1.148 306 P CA 1.183 64.137 63.100 -0.242 0.000 0.822 306 P CB 0.027 31.425 31.700 -0.503 0.000 0.784 307 F N -0.260 119.726 119.950 0.060 0.000 2.333 307 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 307 F C 1.743 177.616 175.800 0.121 0.000 1.083 307 F CA 0.871 58.955 58.000 0.141 0.000 1.395 307 F CB -0.629 38.426 39.000 0.093 0.000 1.056 307 F HN -0.089 nan 8.300 nan 0.000 0.529 308 D N -0.491 120.047 120.400 0.230 0.000 2.309 308 D HA -0.142 4.498 4.640 -0.000 0.000 0.212 308 D C 1.076 177.455 176.300 0.133 0.000 0.968 308 D CA 1.054 55.146 54.000 0.153 0.000 0.882 308 D CB -0.207 40.656 40.800 0.106 0.000 0.918 308 D HN 0.138 nan 8.370 nan 0.000 0.503 309 N N -0.746 118.031 118.700 0.129 0.000 2.598 309 N HA -0.008 4.732 4.740 -0.000 0.000 0.295 309 N C 0.449 176.016 175.510 0.096 0.000 1.729 309 N CA -0.353 52.751 53.050 0.090 0.000 0.877 309 N CB -0.368 38.137 38.487 0.029 0.000 1.405 309 N HN -0.081 nan 8.380 nan 0.000 0.491 310 F N 1.959 121.927 119.950 0.031 0.000 2.115 310 F HA -0.264 4.263 4.527 -0.000 0.000 0.300 310 F C 2.065 177.877 175.800 0.020 0.000 1.092 310 F CA 2.233 60.252 58.000 0.031 0.000 1.245 310 F CB 0.031 39.100 39.000 0.116 0.000 0.995 310 F HN 0.249 nan 8.300 nan 0.000 0.481 311 A N -0.745 122.167 122.820 0.153 0.000 2.024 311 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 311 A C 1.924 179.465 177.584 -0.072 0.000 1.164 311 A CA 1.813 53.879 52.037 0.047 0.000 0.643 311 A CB -0.452 18.605 19.000 0.096 0.000 0.806 311 A HN 0.560 nan 8.150 nan 0.000 0.451 312 Q N -1.197 118.554 119.800 -0.082 0.000 2.281 312 Q HA 0.055 4.395 4.340 -0.000 0.000 0.215 312 Q C 1.540 177.456 176.000 -0.141 0.000 0.867 312 Q CA 1.221 56.969 55.803 -0.092 0.000 0.940 312 Q CB 0.306 29.007 28.738 -0.061 0.000 1.111 312 Q HN 0.876 nan 8.270 nan 0.000 0.513 313 T N -3.337 111.085 114.554 -0.219 0.000 3.066 313 T HA 0.008 4.358 4.350 -0.000 0.000 0.176 313 T C 2.026 176.529 174.700 -0.329 0.000 0.826 313 T CA 0.644 62.592 62.100 -0.253 0.000 1.280 313 T CB -0.730 67.979 68.868 -0.264 0.000 2.214 313 T HN 0.147 nan 8.240 nan 0.000 0.399 314 C N 2.912 121.916 119.300 -0.493 0.000 2.401 314 C HA 0.212 4.672 4.460 -0.000 0.000 0.276 314 C C 3.380 178.135 174.990 -0.392 0.000 1.233 314 C CA 0.747 59.525 59.018 -0.400 0.000 1.753 314 C CB -1.962 25.491 27.740 -0.479 0.000 2.029 314 C HN 0.815 nan 8.230 nan 0.000 0.478 315 A N 1.616 123.987 122.820 -0.749 0.000 2.032 315 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 315 A C 1.801 179.279 177.584 -0.177 0.000 1.165 315 A CA 2.193 53.991 52.037 -0.397 0.000 0.645 315 A CB -0.718 18.083 19.000 -0.332 0.000 0.807 315 A HN 0.658 nan 8.150 nan 0.000 0.453 316 N N -1.043 117.548 118.700 -0.182 0.000 2.272 316 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 316 N C 1.033 176.473 175.510 -0.116 0.000 1.014 316 N CA 1.711 54.690 53.050 -0.119 0.000 0.870 316 N CB -0.349 38.071 38.487 -0.112 0.000 0.975 316 N HN 0.556 nan 8.380 nan 0.000 0.433 317 C N -1.732 117.482 119.300 -0.145 0.000 3.642 317 C HA 0.308 4.768 4.460 -0.000 0.000 0.305 317 C C -0.085 174.671 174.990 -0.389 0.000 1.492 317 C CA -0.497 58.376 59.018 -0.243 0.000 1.809 317 C CB -0.538 27.035 27.740 -0.279 0.000 2.639 317 C HN 0.326 nan 8.230 nan 0.000 0.672 318 H N 0.275 119.322 119.070 -0.039 0.000 2.768 318 H HA 0.302 4.858 4.556 -0.000 0.000 0.371 318 H C 0.671 176.023 175.328 0.040 0.000 1.151 318 H CA 0.475 56.531 56.048 0.014 0.000 1.165 318 H CB 1.998 31.790 29.762 0.048 0.000 1.722 318 H HN 0.187 nan 8.280 nan 0.000 0.543 319 T N -0.709 113.958 114.554 0.188 0.000 3.037 319 T HA 0.037 4.387 4.350 -0.000 0.000 0.252 319 T C 0.573 175.382 174.700 0.180 0.000 1.073 319 T CA -0.195 61.992 62.100 0.145 0.000 1.091 319 T CB 0.355 69.279 68.868 0.093 0.000 0.935 319 T HN 0.318 nan 8.240 nan 0.000 0.488 320 Q N 3.355 123.280 119.800 0.209 0.000 2.386 320 Q HA 0.316 4.655 4.340 -0.000 0.000 0.282 320 Q C 0.031 176.170 176.000 0.231 0.000 1.050 320 Q CA 0.128 56.036 55.803 0.176 0.000 0.918 320 Q CB 0.267 29.094 28.738 0.148 0.000 1.266 320 Q HN 0.642 nan 8.270 nan 0.000 0.423 321 D N 0.062 120.533 120.400 0.118 0.000 2.423 321 D HA 0.070 4.710 4.640 -0.000 0.000 0.255 321 D C 0.501 176.665 176.300 -0.226 0.000 1.174 321 D CA -0.556 53.468 54.000 0.040 0.000 1.008 321 D CB 0.615 41.409 40.800 -0.009 0.000 1.101 321 D HN 0.501 nan 8.370 nan 0.000 0.516 322 K N -0.249 119.729 120.400 -0.704 0.000 2.063 322 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 322 K C 1.861 178.165 176.600 -0.494 0.000 1.048 322 K CA 1.540 57.099 56.287 -1.212 0.000 0.928 322 K CB -0.465 31.365 32.500 -1.116 0.000 0.713 322 K HN 0.487 nan 8.250 nan 0.000 0.442 323 A N 0.520 123.155 122.820 -0.308 0.000 2.014 323 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 323 A C 2.190 179.685 177.584 -0.150 0.000 1.163 323 A CA 1.465 53.375 52.037 -0.213 0.000 0.652 323 A CB -0.508 18.402 19.000 -0.150 0.000 0.808 323 A HN 0.484 nan 8.150 nan 0.000 0.449 324 A N -0.502 122.253 122.820 -0.108 0.000 1.872 324 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 324 A C 1.981 179.555 177.584 -0.016 0.000 1.187 324 A CA 1.557 53.568 52.037 -0.044 0.000 0.614 324 A CB -0.519 18.477 19.000 -0.007 0.000 0.826 324 A HN 0.380 nan 8.150 nan 0.000 0.442 325 L N 0.028 121.265 121.223 0.024 0.000 2.093 325 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 325 L C 2.626 179.558 176.870 0.103 0.000 1.085 325 L CA 1.833 56.753 54.840 0.133 0.000 0.755 325 L CB -0.939 41.315 42.059 0.324 0.000 0.904 325 L HN 0.477 nan 8.230 nan 0.000 0.435 326 Q N -0.923 118.796 119.800 -0.134 0.000 2.170 326 Q HA -0.259 4.081 4.340 -0.000 0.000 0.203 326 Q C 2.149 178.028 176.000 -0.201 0.000 0.976 326 Q CA 1.450 56.985 55.803 -0.446 0.000 0.858 326 Q CB -0.139 28.201 28.738 -0.663 0.000 0.907 326 Q HN 0.440 nan 8.270 nan 0.000 0.433 327 K N 0.538 120.867 120.400 -0.119 0.000 2.062 327 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 327 K C 1.981 178.567 176.600 -0.023 0.000 1.051 327 K CA 0.902 57.146 56.287 -0.073 0.000 0.941 327 K CB 0.122 32.588 32.500 -0.058 0.000 0.719 327 K HN 0.013 nan 8.250 nan 0.000 0.440 328 V N 0.998 120.917 119.914 0.008 0.000 2.261 328 V HA -0.242 3.877 4.120 -0.000 0.000 0.246 328 V C 2.376 178.511 176.094 0.069 0.000 1.047 328 V CA 1.610 63.934 62.300 0.039 0.000 1.015 328 V CB -0.228 31.627 31.823 0.054 0.000 0.642 328 V HN 0.158 nan 8.190 nan 0.000 0.446 329 V N 0.347 120.325 119.914 0.108 0.000 2.332 329 V HA -0.298 3.821 4.120 -0.000 0.000 0.248 329 V C 2.652 178.834 176.094 0.146 0.000 1.055 329 V CA 2.175 64.584 62.300 0.182 0.000 1.038 329 V CB -1.128 30.863 31.823 0.280 0.000 0.651 329 V HN 0.582 nan 8.190 nan 0.000 0.450 330 A N -0.950 121.892 122.820 0.036 0.000 2.015 330 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 330 A C 2.176 179.748 177.584 -0.021 0.000 1.163 330 A CA 1.567 53.589 52.037 -0.025 0.000 0.646 330 A CB -0.352 18.610 19.000 -0.064 0.000 0.806 330 A HN 0.633 nan 8.150 nan 0.000 0.448 331 E N -0.647 119.557 120.200 0.006 0.000 2.072 331 E HA -0.140 4.209 4.350 -0.000 0.000 0.190 331 E C 2.260 178.873 176.600 0.022 0.000 0.982 331 E CA 0.825 57.229 56.400 0.007 0.000 0.803 331 E CB -0.069 29.638 29.700 0.013 0.000 0.755 331 E HN 0.403 nan 8.360 nan 0.000 0.453 332 R N 1.080 121.614 120.500 0.057 0.000 2.120 332 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 332 R C 2.122 178.463 176.300 0.069 0.000 1.123 332 R CA 1.136 57.288 56.100 0.086 0.000 0.975 332 R CB -0.145 30.239 30.300 0.139 0.000 0.866 332 R HN -0.005 nan 8.270 nan 0.000 0.446 333 K N -0.079 120.313 120.400 -0.014 0.000 2.097 333 K HA -0.206 4.114 4.320 -0.000 0.000 0.205 333 K C 2.002 178.538 176.600 -0.107 0.000 1.050 333 K CA 1.434 57.584 56.287 -0.229 0.000 0.938 333 K CB 0.095 32.273 32.500 -0.538 0.000 0.718 333 K HN -0.025 nan 8.250 nan 0.000 0.442 334 Q N 0.542 120.306 119.800 -0.060 0.000 2.119 334 Q HA -0.037 4.303 4.340 -0.000 0.000 0.201 334 Q C 1.863 177.861 176.000 -0.003 0.000 0.972 334 Q CA 1.848 57.633 55.803 -0.030 0.000 0.847 334 Q CB -0.232 28.492 28.738 -0.023 0.000 0.903 334 Q HN 0.192 nan 8.270 nan 0.000 0.433 335 S N -0.014 115.692 115.700 0.008 0.000 2.353 335 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 335 S C 1.862 176.480 174.600 0.031 0.000 1.035 335 S CA 1.402 59.615 58.200 0.021 0.000 1.025 335 S CB -0.353 62.864 63.200 0.029 0.000 0.902 335 S HN 0.438 nan 8.310 nan 0.000 0.440 336 I N 1.911 122.503 120.570 0.037 0.000 2.286 336 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 336 I C 2.484 178.632 176.117 0.050 0.000 1.115 336 I CA 0.904 62.233 61.300 0.050 0.000 1.392 336 I CB -0.332 37.708 38.000 0.067 0.000 1.065 336 I HN 0.355 nan 8.210 nan 0.000 0.418 337 N N 0.880 119.599 118.700 0.032 0.000 2.216 337 N HA -0.231 4.509 4.740 -0.000 0.000 0.183 337 N C 1.593 177.133 175.510 0.049 0.000 1.017 337 N CA 1.784 54.860 53.050 0.042 0.000 0.861 337 N CB -0.018 38.479 38.487 0.017 0.000 0.986 337 N HN 0.369 nan 8.380 nan 0.000 0.428 338 D N 0.558 120.979 120.400 0.035 0.000 2.104 338 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 338 D C 2.274 178.600 176.300 0.043 0.000 0.994 338 D CA 0.892 54.912 54.000 0.033 0.000 0.830 338 D CB -0.148 40.666 40.800 0.023 0.000 0.959 338 D HN 0.188 nan 8.370 nan 0.000 0.452 339 L N -0.073 121.181 121.223 0.051 0.000 2.109 339 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 339 L C 2.530 179.454 176.870 0.090 0.000 1.086 339 L CA 0.899 55.774 54.840 0.059 0.000 0.760 339 L CB -0.417 41.677 42.059 0.059 0.000 0.910 339 L HN 0.149 nan 8.230 nan 0.000 0.437 340 K N 0.710 121.180 120.400 0.117 0.000 2.044 340 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 340 K C 1.976 178.676 176.600 0.166 0.000 1.049 340 K CA 1.780 58.186 56.287 0.200 0.000 0.927 340 K CB -0.238 32.372 32.500 0.183 0.000 0.713 340 K HN 0.305 nan 8.250 nan 0.000 0.443 341 I N 0.947 121.575 120.570 0.097 0.000 2.394 341 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 341 I C 2.256 178.380 176.117 0.011 0.000 1.136 341 I CA 1.057 62.385 61.300 0.047 0.000 1.425 341 I CB -0.024 37.999 38.000 0.039 0.000 1.079 341 I HN 0.147 nan 8.210 nan 0.000 0.425 342 K N 0.243 120.658 120.400 0.025 0.000 2.026 342 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 342 K C 2.084 178.677 176.600 -0.012 0.000 1.048 342 K CA 1.351 57.645 56.287 0.012 0.000 0.929 342 K CB -0.314 32.200 32.500 0.022 0.000 0.713 342 K HN 0.132 nan 8.250 nan 0.000 0.439 343 V N 2.024 121.935 119.914 -0.006 0.000 2.287 343 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 343 V C 2.072 178.031 176.094 -0.225 0.000 1.053 343 V CA 1.874 64.138 62.300 -0.060 0.000 1.027 343 V CB -0.508 31.337 31.823 0.037 0.000 0.646 343 V HN 0.346 nan 8.190 nan 0.000 0.447 344 E N -0.182 119.841 120.200 -0.294 0.000 2.077 344 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 344 E C 2.040 178.479 176.600 -0.268 0.000 0.989 344 E CA 1.450 57.582 56.400 -0.447 0.000 0.800 344 E CB -0.228 29.269 29.700 -0.338 0.000 0.746 344 E HN 0.598 nan 8.360 nan 0.000 0.452 345 D N 0.515 120.829 120.400 -0.143 0.000 2.123 345 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 345 D C 2.062 178.348 176.300 -0.023 0.000 0.992 345 D CA 0.942 54.889 54.000 -0.088 0.000 0.833 345 D CB -0.169 40.628 40.800 -0.005 0.000 0.954 345 D HN 0.153 nan 8.370 nan 0.000 0.455 346 Q N 0.117 119.914 119.800 -0.005 0.000 2.061 346 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 346 Q C 2.673 178.648 176.000 -0.041 0.000 0.984 346 Q CA 0.678 56.498 55.803 0.028 0.000 0.846 346 Q CB -0.410 28.316 28.738 -0.018 0.000 0.902 346 Q HN 0.397 nan 8.270 nan 0.000 0.421 347 L N -0.057 121.068 121.223 -0.163 0.000 2.141 347 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 347 L C 2.455 179.236 176.870 -0.148 0.000 1.094 347 L CA 0.435 55.133 54.840 -0.237 0.000 0.763 347 L CB -0.415 41.426 42.059 -0.364 0.000 0.908 347 L HN 0.009 nan 8.230 nan 0.000 0.437 348 V N -0.776 119.068 119.914 -0.116 0.000 2.343 348 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 348 V C 2.548 178.683 176.094 0.068 0.000 1.051 348 V CA 1.635 63.923 62.300 -0.020 0.000 1.036 348 V CB -0.731 31.026 31.823 -0.111 0.000 0.654 348 V HN 0.458 nan 8.190 nan 0.000 0.451 349 H N 0.133 119.255 119.070 0.087 0.000 2.387 349 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 349 H C 2.355 177.719 175.328 0.060 0.000 1.090 349 H CA 1.750 57.850 56.048 0.086 0.000 1.332 349 H CB -0.392 29.377 29.762 0.012 0.000 1.386 349 H HN 0.469 nan 8.280 nan 0.000 0.516 350 A N 0.966 123.826 122.820 0.066 0.000 1.898 350 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 350 A C 2.100 179.641 177.584 -0.072 0.000 1.181 350 A CA 1.250 53.256 52.037 -0.053 0.000 0.620 350 A CB -0.532 18.356 19.000 -0.186 0.000 0.819 350 A HN 0.416 nan 8.150 nan 0.000 0.442 351 H N -1.965 117.058 119.070 -0.078 0.000 2.389 351 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 351 H C 1.762 176.961 175.328 -0.214 0.000 1.081 351 H CA 1.519 57.450 56.048 -0.195 0.000 1.345 351 H CB -0.249 29.318 29.762 -0.325 0.000 1.393 351 H HN 0.573 nan 8.280 nan 0.000 0.520 352 F N 1.055 121.058 119.950 0.088 0.000 2.270 352 F HA -0.016 4.511 4.527 -0.000 0.000 0.295 352 F C 2.485 178.306 175.800 0.034 0.000 1.087 352 F CA 0.570 58.600 58.000 0.049 0.000 1.365 352 F CB -0.073 38.945 39.000 0.030 0.000 1.056 352 F HN 0.081 nan 8.300 nan 0.000 0.506 353 E N 0.201 120.528 120.200 0.212 0.000 2.085 353 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 353 E C 2.362 178.992 176.600 0.051 0.000 0.994 353 E CA 1.252 57.712 56.400 0.100 0.000 0.801 353 E CB -0.308 29.426 29.700 0.056 0.000 0.743 353 E HN 0.344 nan 8.360 nan 0.000 0.453 354 A N 1.186 124.024 122.820 0.029 0.000 1.969 354 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 354 A C 2.030 179.621 177.584 0.011 0.000 1.169 354 A CA 1.509 53.546 52.037 -0.001 0.000 0.635 354 A CB -0.340 18.646 19.000 -0.023 0.000 0.810 354 A HN 0.076 nan 8.150 nan 0.000 0.445 355 K N -0.209 120.209 120.400 0.031 0.000 2.057 355 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 355 K C 2.127 178.761 176.600 0.056 0.000 1.050 355 K CA 1.131 57.440 56.287 0.037 0.000 0.935 355 K CB -0.321 32.213 32.500 0.056 0.000 0.715 355 K HN 0.348 nan 8.250 nan 0.000 0.439 356 A N 1.026 123.892 122.820 0.078 0.000 1.972 356 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 356 A C 2.263 179.864 177.584 0.028 0.000 1.169 356 A CA 1.850 53.923 52.037 0.060 0.000 0.635 356 A CB -0.634 18.399 19.000 0.055 0.000 0.810 356 A HN 0.492 nan 8.150 nan 0.000 0.446 357 A N -0.249 122.580 122.820 0.014 0.000 1.872 357 A HA 0.044 4.364 4.320 -0.000 0.000 0.214 357 A C 2.147 179.731 177.584 0.001 0.000 1.187 357 A CA 1.318 53.355 52.037 -0.001 0.000 0.614 357 A CB -0.610 18.383 19.000 -0.012 0.000 0.826 357 A HN 0.445 nan 8.150 nan 0.000 0.442 358 L N -0.109 121.115 121.223 0.002 0.000 1.990 358 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 358 L C 2.022 178.897 176.870 0.008 0.000 1.072 358 L CA 1.705 56.545 54.840 0.000 0.000 0.755 358 L CB -0.782 41.275 42.059 -0.003 0.000 0.889 358 L HN 0.304 nan 8.230 nan 0.000 0.432 359 D N 0.066 120.477 120.400 0.019 0.000 2.265 359 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 359 D C 1.801 178.113 176.300 0.021 0.000 0.977 359 D CA 1.373 55.387 54.000 0.024 0.000 0.871 359 D CB -0.031 40.792 40.800 0.038 0.000 0.925 359 D HN 0.376 nan 8.370 nan 0.000 0.485 360 A N -0.629 122.201 122.820 0.016 0.000 2.307 360 A HA 0.494 4.814 4.320 -0.000 0.000 0.218 360 A C 1.621 179.209 177.584 0.007 0.000 1.228 360 A CA 0.676 52.722 52.037 0.014 0.000 0.857 360 A CB -0.050 18.957 19.000 0.011 0.000 0.897 360 A HN 0.195 nan 8.150 nan 0.000 0.495 361 G N -1.612 107.191 108.800 0.005 0.000 2.131 361 G HA2 0.114 4.074 3.960 -0.000 0.000 0.223 361 G HA3 0.114 4.074 3.960 -0.000 0.000 0.223 361 G C 0.437 175.335 174.900 -0.004 0.000 0.990 361 G CA 0.138 45.239 45.100 0.001 0.000 0.671 361 G HN 1.603 nan 8.290 nan 0.000 0.521 362 A N 0.553 123.369 122.820 -0.006 0.000 2.531 362 A HA 0.617 4.937 4.320 -0.000 0.000 0.236 362 A C 1.135 178.710 177.584 -0.014 0.000 1.062 362 A CA 1.417 53.446 52.037 -0.012 0.000 0.760 362 A CB 0.135 19.125 19.000 -0.015 0.000 0.995 362 A HN 1.877 nan 8.150 nan 0.000 0.501 363 T N -0.200 114.345 114.554 -0.016 0.000 2.881 363 T HA 0.378 4.727 4.350 -0.000 0.000 0.278 363 T C 0.740 175.426 174.700 -0.024 0.000 0.982 363 T CA -0.074 62.016 62.100 -0.018 0.000 0.989 363 T CB 0.852 69.711 68.868 -0.016 0.000 1.058 363 T HN 0.656 nan 8.240 nan 0.000 0.529 364 E N 0.349 120.533 120.200 -0.026 0.000 2.153 364 E HA -0.079 4.270 4.350 -0.000 0.000 0.194 364 E C 2.299 178.878 176.600 -0.035 0.000 0.988 364 E CA 1.017 57.397 56.400 -0.033 0.000 0.811 364 E CB -0.309 29.371 29.700 -0.034 0.000 0.746 364 E HN 0.775 nan 8.360 nan 0.000 0.466 365 A N 1.417 124.220 122.820 -0.028 0.000 1.968 365 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 365 A C 1.858 179.425 177.584 -0.028 0.000 1.169 365 A CA 0.957 52.978 52.037 -0.027 0.000 0.638 365 A CB -0.169 18.818 19.000 -0.022 0.000 0.812 365 A HN 0.126 nan 8.150 nan 0.000 0.446 366 E N -0.783 119.401 120.200 -0.026 0.000 2.152 366 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 366 E C 1.704 178.284 176.600 -0.032 0.000 0.983 366 E CA 0.898 57.282 56.400 -0.026 0.000 0.818 366 E CB -0.136 29.551 29.700 -0.022 0.000 0.758 366 E HN 0.443 nan 8.360 nan 0.000 0.467 367 M N 0.504 120.082 119.600 -0.037 0.000 2.388 367 M HA -0.013 4.467 4.480 -0.000 0.000 0.265 367 M C 2.052 178.317 176.300 -0.058 0.000 1.088 367 M CA 0.907 56.179 55.300 -0.047 0.000 1.134 367 M CB -0.364 32.208 32.600 -0.048 0.000 1.384 367 M HN -0.114 nan 8.290 nan 0.000 0.447 368 K N 1.744 122.111 120.400 -0.056 0.000 2.044 368 K HA -0.110 4.210 4.320 -0.000 0.000 0.210 368 K C -0.960 175.598 176.600 -0.071 0.000 1.049 368 K CA 1.727 57.974 56.287 -0.066 0.000 0.927 368 K CB -1.558 30.909 32.500 -0.055 0.000 0.713 368 K HN 0.155 nan 8.250 nan 0.000 0.443 369 P HA -0.104 nan 4.420 nan 0.000 0.217 369 P C 1.409 178.675 177.300 -0.058 0.000 1.151 369 P CA 1.328 64.399 63.100 -0.048 0.000 0.828 369 P CB -0.004 31.677 31.700 -0.030 0.000 0.788 370 I N -0.074 120.459 120.570 -0.061 0.000 2.202 370 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 370 I C 2.795 178.851 176.117 -0.101 0.000 1.091 370 I CA 1.525 62.782 61.300 -0.071 0.000 1.368 370 I CB -0.843 37.119 38.000 -0.064 0.000 1.058 370 I HN -0.055 nan 8.210 nan 0.000 0.410 371 Q N 0.555 120.288 119.800 -0.112 0.000 2.135 371 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 371 Q C 1.800 177.683 176.000 -0.196 0.000 0.981 371 Q CA 1.655 57.370 55.803 -0.146 0.000 0.856 371 Q CB -0.143 28.513 28.738 -0.138 0.000 0.902 371 Q HN 0.475 nan 8.270 nan 0.000 0.425 372 D N 0.628 120.913 120.400 -0.191 0.000 2.117 372 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 372 D C 1.393 177.493 176.300 -0.335 0.000 0.987 372 D CA 1.127 54.944 54.000 -0.304 0.000 0.829 372 D CB -0.226 40.464 40.800 -0.183 0.000 0.961 372 D HN 0.201 nan 8.370 nan 0.000 0.460 373 D N 0.190 120.511 120.400 -0.131 0.000 2.117 373 D HA -0.058 4.582 4.640 -0.000 0.000 0.198 373 D C 2.346 178.611 176.300 -0.058 0.000 0.982 373 D CA 0.332 54.312 54.000 -0.033 0.000 0.828 373 D CB -0.173 40.617 40.800 -0.015 0.000 0.967 373 D HN 0.273 nan 8.370 nan 0.000 0.464 374 I N 0.820 121.314 120.570 -0.126 0.000 2.226 374 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 374 I C 2.656 178.705 176.117 -0.114 0.000 1.100 374 I CA 0.810 62.013 61.300 -0.160 0.000 1.374 374 I CB -0.219 37.635 38.000 -0.243 0.000 1.057 374 I HN -0.057 nan 8.210 nan 0.000 0.413 375 R N 0.596 120.996 120.500 -0.166 0.000 2.091 375 R HA -0.216 4.124 4.340 -0.000 0.000 0.238 375 R C 2.151 178.473 176.300 0.037 0.000 1.136 375 R CA 1.977 57.985 56.100 -0.153 0.000 0.959 375 R CB -0.381 29.731 30.300 -0.313 0.000 0.856 375 R HN 0.497 nan 8.270 nan 0.000 0.437 376 H N -0.826 118.282 119.070 0.063 0.000 2.372 376 H HA 0.090 4.646 4.556 -0.000 0.000 0.301 376 H C 2.147 177.583 175.328 0.180 0.000 1.065 376 H CA 0.702 56.837 56.048 0.144 0.000 1.364 376 H CB 0.099 29.914 29.762 0.087 0.000 1.406 376 H HN 0.403 nan 8.280 nan 0.000 0.521 377 A N 0.931 123.887 122.820 0.225 0.000 1.883 377 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 377 A C 2.174 179.878 177.584 0.199 0.000 1.186 377 A CA 2.020 54.149 52.037 0.153 0.000 0.624 377 A CB -0.623 18.407 19.000 0.049 0.000 0.822 377 A HN 0.463 nan 8.150 nan 0.000 0.444 378 Q N -1.611 118.309 119.800 0.200 0.000 2.172 378 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 378 Q C 1.971 178.236 176.000 0.443 0.000 0.964 378 Q CA 1.165 57.160 55.803 0.320 0.000 0.855 378 Q CB -0.257 28.634 28.738 0.256 0.000 0.918 378 Q HN 0.882 nan 8.270 nan 0.000 0.444 379 W N 1.138 122.557 121.300 0.198 0.000 2.363 379 W HA -0.199 4.461 4.660 -0.000 0.000 0.296 379 W C 1.336 177.942 176.519 0.144 0.000 1.212 379 W CA 1.275 58.713 57.345 0.154 0.000 1.260 379 W CB 0.066 29.601 29.460 0.124 0.000 1.131 379 W HN 0.120 nan 8.180 nan 0.000 0.530 380 R N -0.611 119.877 120.500 -0.021 0.000 2.073 380 R HA -0.167 4.173 4.340 -0.000 0.000 0.229 380 R C 1.962 178.198 176.300 -0.108 0.000 1.120 380 R CA 2.358 58.377 56.100 -0.135 0.000 0.967 380 R CB -1.452 28.884 30.300 0.060 0.000 0.862 380 R HN 0.315 nan 8.270 nan 0.000 0.436 381 W N 1.909 123.145 121.300 -0.107 0.000 2.333 381 W HA -0.230 4.430 4.660 -0.000 0.000 0.316 381 W C 1.651 178.102 176.519 -0.113 0.000 1.215 381 W CA 1.848 59.144 57.345 -0.082 0.000 1.278 381 W CB -0.507 28.929 29.460 -0.039 0.000 1.154 381 W HN 0.048 nan 8.180 nan 0.000 0.486 382 D N 0.106 120.212 120.400 -0.491 0.000 2.117 382 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 382 D C 2.289 178.174 176.300 -0.692 0.000 0.987 382 D CA 1.500 54.992 54.000 -0.847 0.000 0.829 382 D CB -0.581 40.074 40.800 -0.242 0.000 0.961 382 D HN 0.228 nan 8.370 nan 0.000 0.460 383 L N 0.106 120.909 121.223 -0.700 0.000 2.141 383 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 383 L C 2.145 178.774 176.870 -0.402 0.000 1.094 383 L CA 1.232 55.693 54.840 -0.632 0.000 0.763 383 L CB -0.571 40.956 42.059 -0.886 0.000 0.908 383 L HN 0.016 nan 8.230 nan 0.000 0.437 384 A N 0.552 123.140 122.820 -0.387 0.000 1.930 384 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 384 A C 1.673 179.112 177.584 -0.242 0.000 1.175 384 A CA 1.869 53.756 52.037 -0.250 0.000 0.627 384 A CB -0.310 18.578 19.000 -0.186 0.000 0.815 384 A HN 0.569 nan 8.150 nan 0.000 0.443 385 I N -4.695 115.641 120.570 -0.390 0.000 4.240 385 I HA 0.538 4.708 4.170 -0.000 0.000 0.331 385 I C 1.598 177.534 176.117 -0.302 0.000 1.381 385 I CA 0.045 61.162 61.300 -0.305 0.000 1.136 385 I CB -0.237 37.579 38.000 -0.305 0.000 1.137 385 I HN 0.013 nan 8.210 nan 0.000 0.411 386 A N 0.315 122.943 122.820 -0.321 0.000 2.067 386 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 386 A C 1.598 179.103 177.584 -0.132 0.000 1.158 386 A CA 1.087 52.990 52.037 -0.223 0.000 0.661 386 A CB -0.550 18.300 19.000 -0.250 0.000 0.801 386 A HN 0.434 nan 8.150 nan 0.000 0.452 387 S N -0.928 114.723 115.700 -0.081 0.000 2.489 387 S HA 0.334 4.804 4.470 -0.000 0.000 0.277 387 S C 0.488 175.058 174.600 -0.051 0.000 1.230 387 S CA -0.493 57.728 58.200 0.035 0.000 1.053 387 S CB 0.081 63.373 63.200 0.153 0.000 0.955 387 S HN 0.535 nan 8.310 nan 0.000 0.488 388 H N 3.016 122.209 119.070 0.204 0.000 2.556 388 H HA 0.175 4.731 4.556 -0.000 0.000 0.268 388 H C 1.851 177.271 175.328 0.152 0.000 0.996 388 H CA 0.873 57.035 56.048 0.191 0.000 1.157 388 H CB 0.269 30.142 29.762 0.185 0.000 1.355 388 H HN 0.681 nan 8.280 nan 0.000 0.597 389 G N -0.329 108.522 108.800 0.085 0.000 3.126 389 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.224 389 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.224 389 G C 1.413 175.984 174.900 -0.548 0.000 1.142 389 G CA -0.091 44.789 45.100 -0.366 0.000 0.759 389 G HN 0.294 nan 8.290 nan 0.000 0.550 390 I N 1.973 122.468 120.570 -0.124 0.000 2.264 390 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 390 I C 2.566 178.636 176.117 -0.078 0.000 1.111 390 I CA 1.902 63.182 61.300 -0.033 0.000 1.382 390 I CB -0.269 37.752 38.000 0.036 0.000 1.060 390 I HN 0.530 nan 8.210 nan 0.000 0.418 391 H N -1.692 117.370 119.070 -0.014 0.000 2.518 391 H HA -0.119 4.437 4.556 -0.000 0.000 0.289 391 H C 1.859 177.196 175.328 0.015 0.000 1.051 391 H CA 1.664 57.718 56.048 0.010 0.000 1.280 391 H CB -0.618 29.155 29.762 0.019 0.000 1.380 391 H HN 0.445 nan 8.280 nan 0.000 0.566 392 M N 0.013 119.245 119.600 -0.614 0.000 2.556 392 M HA 0.116 4.596 4.480 -0.000 0.000 0.264 392 M C 1.484 177.749 176.300 -0.058 0.000 1.163 392 M CA 1.427 56.544 55.300 -0.305 0.000 1.186 392 M CB -0.039 32.307 32.600 -0.424 0.000 1.321 392 M HN 0.344 nan 8.290 nan 0.000 0.485 393 H N -0.360 118.694 119.070 -0.028 0.000 2.372 393 H HA 0.424 4.980 4.556 -0.000 0.000 0.301 393 H C 0.156 175.532 175.328 0.080 0.000 1.065 393 H CA 0.496 56.591 56.048 0.078 0.000 1.364 393 H CB 0.226 30.056 29.762 0.114 0.000 1.406 393 H HN 0.433 nan 8.280 nan 0.000 0.521 394 A N 0.400 123.316 122.820 0.160 0.000 3.330 394 A HA 0.160 4.479 4.320 -0.000 0.000 0.256 394 A C -2.055 175.563 177.584 0.056 0.000 1.185 394 A CA -0.868 51.219 52.037 0.084 0.000 0.940 394 A CB 0.387 19.420 19.000 0.055 0.000 1.397 394 A HN 0.021 nan 8.150 nan 0.000 0.678 395 P HA -0.233 nan 4.420 nan 0.000 0.216 395 P C 1.177 178.503 177.300 0.044 0.000 1.150 395 P CA 1.912 65.049 63.100 0.061 0.000 0.843 395 P CB 0.276 32.022 31.700 0.075 0.000 0.787 396 E N 0.332 120.550 120.200 0.030 0.000 2.152 396 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 396 E C 1.804 178.410 176.600 0.010 0.000 0.983 396 E CA 1.066 57.476 56.400 0.018 0.000 0.818 396 E CB -1.011 28.694 29.700 0.008 0.000 0.758 396 E HN 0.165 nan 8.360 nan 0.000 0.467 397 E N 0.954 121.157 120.200 0.005 0.000 2.152 397 E HA -0.024 4.326 4.350 -0.000 0.000 0.192 397 E C 2.018 178.616 176.600 -0.004 0.000 0.983 397 E CA 1.108 57.506 56.400 -0.004 0.000 0.818 397 E CB -0.459 29.235 29.700 -0.011 0.000 0.758 397 E HN 0.489 nan 8.360 nan 0.000 0.467 398 G N 0.986 109.791 108.800 0.007 0.000 2.421 398 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 398 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 398 G C 1.752 176.657 174.900 0.008 0.000 1.171 398 G CA 0.514 45.615 45.100 0.002 0.000 0.775 398 G HN 0.198 nan 8.290 nan 0.000 0.543 399 L N -0.297 120.938 121.223 0.021 0.000 2.056 399 L HA 0.007 4.346 4.340 -0.000 0.000 0.207 399 L C 2.930 179.812 176.870 0.021 0.000 1.078 399 L CA 1.164 56.019 54.840 0.026 0.000 0.749 399 L CB -0.340 41.736 42.059 0.028 0.000 0.901 399 L HN 0.171 nan 8.230 nan 0.000 0.433 400 R N 0.223 120.730 120.500 0.012 0.000 2.073 400 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 400 R C 2.386 178.692 176.300 0.010 0.000 1.134 400 R CA 1.609 57.715 56.100 0.010 0.000 0.952 400 R CB -0.181 30.121 30.300 0.003 0.000 0.850 400 R HN 0.253 nan 8.270 nan 0.000 0.433 401 M N 0.503 120.101 119.600 -0.002 0.000 2.106 401 M HA -0.230 4.250 4.480 -0.000 0.000 0.259 401 M C 2.297 178.608 176.300 0.017 0.000 1.068 401 M CA 1.708 57.002 55.300 -0.010 0.000 1.100 401 M CB -0.313 32.253 32.600 -0.057 0.000 1.351 401 M HN 0.229 nan 8.290 nan 0.000 0.404 402 L N -0.607 120.634 121.223 0.031 0.000 2.093 402 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 402 L C 2.728 179.639 176.870 0.068 0.000 1.085 402 L CA 1.218 56.103 54.840 0.076 0.000 0.755 402 L CB -1.227 40.885 42.059 0.087 0.000 0.904 402 L HN 0.411 nan 8.230 nan 0.000 0.435 403 G N -0.107 108.720 108.800 0.045 0.000 2.440 403 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.218 403 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.218 403 G C 1.691 176.613 174.900 0.038 0.000 1.154 403 G CA 1.475 46.597 45.100 0.037 0.000 0.767 403 G HN 0.461 nan 8.290 nan 0.000 0.552 404 T N -1.211 113.366 114.554 0.038 0.000 2.951 404 T HA 0.325 4.675 4.350 -0.000 0.000 0.268 404 T C 2.519 177.255 174.700 0.060 0.000 1.073 404 T CA 1.454 63.578 62.100 0.041 0.000 1.134 404 T CB -0.184 68.706 68.868 0.037 0.000 0.884 404 T HN 0.332 nan 8.240 nan 0.000 0.479 405 A N 1.510 124.376 122.820 0.075 0.000 1.933 405 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 405 A C 2.341 179.968 177.584 0.072 0.000 1.175 405 A CA 1.873 53.972 52.037 0.103 0.000 0.628 405 A CB -0.783 18.311 19.000 0.156 0.000 0.814 405 A HN 0.507 nan 8.150 nan 0.000 0.444 406 M N 0.034 119.668 119.600 0.056 0.000 2.229 406 M HA -0.085 4.394 4.480 -0.000 0.000 0.264 406 M C 1.535 177.849 176.300 0.024 0.000 1.063 406 M CA 2.186 57.505 55.300 0.033 0.000 1.114 406 M CB -0.394 32.225 32.600 0.032 0.000 1.387 406 M HN 0.469 nan 8.290 nan 0.000 0.420 407 D N -0.336 120.082 120.400 0.030 0.000 2.117 407 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 407 D C 1.723 178.039 176.300 0.027 0.000 0.987 407 D CA 1.312 55.327 54.000 0.024 0.000 0.829 407 D CB 0.124 40.939 40.800 0.025 0.000 0.961 407 D HN 0.158 nan 8.370 nan 0.000 0.460 408 K N 0.202 120.628 120.400 0.042 0.000 2.103 408 K HA 0.092 4.412 4.320 -0.000 0.000 0.204 408 K C 2.113 178.726 176.600 0.020 0.000 1.052 408 K CA 0.936 57.254 56.287 0.051 0.000 0.945 408 K CB -0.612 31.947 32.500 0.099 0.000 0.722 408 K HN 0.214 nan 8.250 nan 0.000 0.443 409 A N 1.655 124.480 122.820 0.008 0.000 1.902 409 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 409 A C 2.422 179.991 177.584 -0.024 0.000 1.181 409 A CA 2.116 54.137 52.037 -0.027 0.000 0.623 409 A CB -0.646 18.332 19.000 -0.036 0.000 0.818 409 A HN 0.282 nan 8.150 nan 0.000 0.443 410 A N 0.275 123.089 122.820 -0.011 0.000 1.873 410 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 410 A C 1.805 179.381 177.584 -0.014 0.000 1.193 410 A CA 2.087 54.116 52.037 -0.013 0.000 0.629 410 A CB -0.765 18.232 19.000 -0.005 0.000 0.826 410 A HN 0.480 nan 8.150 nan 0.000 0.447 411 D N -0.045 120.351 120.400 -0.006 0.000 2.104 411 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 411 D C 2.272 178.561 176.300 -0.019 0.000 0.994 411 D CA 1.622 55.617 54.000 -0.007 0.000 0.830 411 D CB -0.582 40.221 40.800 0.006 0.000 0.959 411 D HN 0.438 nan 8.370 nan 0.000 0.452 412 A N 1.132 123.935 122.820 -0.028 0.000 1.892 412 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 412 A C 2.180 179.735 177.584 -0.048 0.000 1.188 412 A CA 1.586 53.594 52.037 -0.048 0.000 0.631 412 A CB -0.491 18.465 19.000 -0.074 0.000 0.822 412 A HN 0.164 nan 8.150 nan 0.000 0.447 413 R N -1.370 119.104 120.500 -0.043 0.000 2.153 413 R HA -0.014 4.326 4.340 -0.000 0.000 0.218 413 R C 2.052 178.329 176.300 -0.038 0.000 1.072 413 R CA 1.378 57.454 56.100 -0.039 0.000 0.990 413 R CB -0.460 29.819 30.300 -0.036 0.000 0.889 413 R HN 0.505 nan 8.270 nan 0.000 0.452 414 T N 1.119 115.653 114.554 -0.033 0.000 2.857 414 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 414 T C 1.575 176.257 174.700 -0.029 0.000 1.048 414 T CA 1.100 63.182 62.100 -0.030 0.000 1.139 414 T CB 0.077 68.931 68.868 -0.023 0.000 0.874 414 T HN 0.233 nan 8.240 nan 0.000 0.455 415 K N 0.727 121.110 120.400 -0.029 0.000 2.103 415 K HA 0.119 4.439 4.320 -0.000 0.000 0.204 415 K C 2.183 178.763 176.600 -0.032 0.000 1.052 415 K CA 0.795 57.065 56.287 -0.028 0.000 0.945 415 K CB -0.260 32.223 32.500 -0.028 0.000 0.722 415 K HN 0.246 nan 8.250 nan 0.000 0.443 416 L N 0.694 121.895 121.223 -0.037 0.000 2.046 416 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 416 L C 2.568 179.414 176.870 -0.041 0.000 1.077 416 L CA 1.183 56.000 54.840 -0.037 0.000 0.747 416 L CB -0.539 41.498 42.059 -0.036 0.000 0.896 416 L HN 0.209 nan 8.230 nan 0.000 0.432 417 A N -0.011 122.783 122.820 -0.043 0.000 1.908 417 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 417 A C 2.389 179.947 177.584 -0.043 0.000 1.181 417 A CA 1.582 53.589 52.037 -0.050 0.000 0.627 417 A CB -0.466 18.505 19.000 -0.049 0.000 0.818 417 A HN 0.327 nan 8.150 nan 0.000 0.445 418 R N -0.860 119.620 120.500 -0.034 0.000 2.073 418 R HA -0.027 4.313 4.340 -0.000 0.000 0.234 418 R C 2.225 178.508 176.300 -0.027 0.000 1.134 418 R CA 1.329 57.413 56.100 -0.028 0.000 0.952 418 R CB -0.567 29.719 30.300 -0.023 0.000 0.850 418 R HN 0.535 nan 8.270 nan 0.000 0.433 419 L N 1.055 122.261 121.223 -0.029 0.000 2.012 419 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 419 L C 2.250 179.104 176.870 -0.027 0.000 1.073 419 L CA 1.584 56.408 54.840 -0.026 0.000 0.748 419 L CB -0.258 41.785 42.059 -0.027 0.000 0.891 419 L HN 0.275 nan 8.230 nan 0.000 0.431 420 L N -0.599 120.602 121.223 -0.036 0.000 2.131 420 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 420 L C 2.807 179.653 176.870 -0.040 0.000 1.092 420 L CA 1.009 55.822 54.840 -0.045 0.000 0.759 420 L CB -0.692 41.323 42.059 -0.073 0.000 0.903 420 L HN 0.305 nan 8.230 nan 0.000 0.435 421 A N 0.272 123.070 122.820 -0.037 0.000 1.908 421 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 421 A C 2.426 180.001 177.584 -0.015 0.000 1.181 421 A CA 2.330 54.352 52.037 -0.025 0.000 0.627 421 A CB -1.071 17.915 19.000 -0.023 0.000 0.818 421 A HN 0.515 nan 8.150 nan 0.000 0.445 422 T N -3.358 111.187 114.554 -0.015 0.000 3.051 422 T HA -0.017 4.333 4.350 -0.000 0.000 0.269 422 T C 1.312 176.008 174.700 -0.007 0.000 1.127 422 T CA 1.648 63.742 62.100 -0.010 0.000 1.107 422 T CB -0.151 68.710 68.868 -0.011 0.000 0.898 422 T HN 0.230 nan 8.240 nan 0.000 0.517 423 K N 0.516 120.911 120.400 -0.008 0.000 2.410 423 K HA 0.470 4.790 4.320 -0.000 0.000 0.200 423 K C 1.412 178.016 176.600 0.006 0.000 1.023 423 K CA 0.376 56.662 56.287 -0.001 0.000 1.149 423 K CB -0.092 32.406 32.500 -0.003 0.000 0.859 423 K HN 0.463 nan 8.250 nan 0.000 0.514 424 G N 0.560 109.364 108.800 0.006 0.000 2.159 424 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.256 424 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.256 424 G C 0.051 174.971 174.900 0.034 0.000 0.977 424 G CA 0.007 45.118 45.100 0.018 0.000 0.652 424 G HN 0.274 nan 8.290 nan 0.000 0.531 425 I N 1.294 121.871 120.570 0.013 0.000 2.359 425 I HA 0.534 4.704 4.170 -0.000 0.000 0.294 425 I C 1.269 177.351 176.117 -0.059 0.000 0.987 425 I CA 0.292 61.590 61.300 -0.004 0.000 1.225 425 I CB 1.928 39.878 38.000 -0.082 0.000 1.366 425 I HN 0.235 nan 8.210 nan 0.000 0.466 426 T N 0.195 114.735 114.554 -0.024 0.000 3.186 426 T HA 0.125 4.475 4.350 -0.000 0.000 0.292 426 T C 0.335 175.031 174.700 -0.007 0.000 0.915 426 T CA -0.347 61.738 62.100 -0.025 0.000 0.902 426 T CB -0.241 68.639 68.868 0.020 0.000 1.192 426 T HN 0.595 nan 8.240 nan 0.000 0.563 427 H N 0.478 119.542 119.070 -0.010 0.000 2.508 427 H HA 0.554 5.110 4.556 -0.000 0.000 0.358 427 H C -0.360 174.959 175.328 -0.015 0.000 1.212 427 H CA -0.523 55.517 56.048 -0.013 0.000 1.356 427 H CB 0.882 30.638 29.762 -0.011 0.000 1.525 427 H HN 0.273 nan 8.280 nan 0.000 0.578 428 E N 0.873 121.100 120.200 0.044 0.000 2.344 428 E HA 0.102 4.452 4.350 -0.000 0.000 0.270 428 E C -0.441 176.168 176.600 0.014 0.000 1.021 428 E CA -0.611 55.776 56.400 -0.022 0.000 0.887 428 E CB 0.475 30.169 29.700 -0.010 0.000 0.997 428 E HN 0.315 nan 8.360 nan 0.000 0.429 429 I N 4.035 124.584 120.570 -0.035 0.000 2.496 429 I HA -0.028 4.142 4.170 -0.000 0.000 0.285 429 I C 0.366 176.521 176.117 0.064 0.000 1.080 429 I CA 0.370 61.686 61.300 0.026 0.000 1.404 429 I CB 1.011 39.029 38.000 0.030 0.000 1.403 429 I HN 0.445 nan 8.210 nan 0.000 0.539 430 Q N 5.118 124.950 119.800 0.053 0.000 2.241 430 Q HA 0.523 4.863 4.340 -0.000 0.000 0.254 430 Q C -0.887 175.045 176.000 -0.114 0.000 0.917 430 Q CA -0.345 55.459 55.803 0.002 0.000 0.919 430 Q CB 1.172 29.915 28.738 0.008 0.000 1.237 430 Q HN 0.339 nan 8.270 nan 0.000 0.434 431 I N 4.613 125.073 120.570 -0.183 0.000 2.428 431 I HA 0.400 4.570 4.170 -0.000 0.000 0.296 431 I C -1.779 174.097 176.117 -0.401 0.000 0.985 431 I CA -2.471 58.545 61.300 -0.473 0.000 1.260 431 I CB 0.611 38.353 38.000 -0.430 0.000 1.389 431 I HN 0.574 nan 8.210 nan 0.000 0.484 432 P HA 0.042 nan 4.420 nan 0.000 0.271 432 P C -0.480 176.708 177.300 -0.186 0.000 1.233 432 P CA -0.329 62.616 63.100 -0.260 0.000 0.789 432 P CB 0.373 31.954 31.700 -0.199 0.000 0.951 433 D N 1.435 121.776 120.400 -0.099 0.000 2.363 433 D HA -0.001 4.639 4.640 -0.000 0.000 0.263 433 D C 0.290 176.563 176.300 -0.046 0.000 1.258 433 D CA 0.097 54.058 54.000 -0.065 0.000 0.907 433 D CB -0.248 40.530 40.800 -0.038 0.000 1.107 433 D HN 0.333 nan 8.370 nan 0.000 0.495 434 I N 1.062 121.604 120.570 -0.046 0.000 3.531 434 I HA 0.172 4.342 4.170 -0.000 0.000 0.341 434 I C 0.920 177.032 176.117 -0.009 0.000 1.550 434 I CA -0.544 60.748 61.300 -0.013 0.000 1.087 434 I CB 0.161 38.160 38.000 -0.001 0.000 1.408 434 I HN 0.142 nan 8.210 nan 0.000 0.484 435 S N 0.061 115.755 115.700 -0.011 0.000 2.481 435 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 435 S C 1.092 175.695 174.600 0.005 0.000 0.996 435 S CA 0.719 58.916 58.200 -0.005 0.000 0.942 435 S CB -0.723 62.472 63.200 -0.007 0.000 0.768 435 S HN 0.727 nan 8.310 nan 0.000 0.520 436 T N -1.873 112.687 114.554 0.010 0.000 2.916 436 T HA 0.489 4.839 4.350 -0.000 0.000 0.292 436 T C 0.461 175.177 174.700 0.028 0.000 1.055 436 T CA -0.964 61.147 62.100 0.018 0.000 1.009 436 T CB 2.120 70.997 68.868 0.016 0.000 1.118 436 T HN 0.025 nan 8.240 nan 0.000 0.497 437 K N 0.263 120.684 120.400 0.036 0.000 2.044 437 K HA -0.241 4.078 4.320 -0.000 0.000 0.210 437 K C 1.845 178.471 176.600 0.044 0.000 1.049 437 K CA 2.166 58.483 56.287 0.049 0.000 0.927 437 K CB -0.231 32.302 32.500 0.056 0.000 0.713 437 K HN 0.679 nan 8.250 nan 0.000 0.443 438 E N 0.935 121.155 120.200 0.033 0.000 2.107 438 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 438 E C 1.672 178.289 176.600 0.029 0.000 0.982 438 E CA 1.505 57.923 56.400 0.029 0.000 0.809 438 E CB 0.113 29.826 29.700 0.022 0.000 0.756 438 E HN 0.294 nan 8.360 nan 0.000 0.459 439 K N -0.117 120.298 120.400 0.025 0.000 2.026 439 K HA -0.073 4.246 4.320 -0.000 0.000 0.208 439 K C 2.163 178.785 176.600 0.037 0.000 1.048 439 K CA 1.200 57.502 56.287 0.024 0.000 0.929 439 K CB -0.237 32.271 32.500 0.014 0.000 0.713 439 K HN 0.173 nan 8.250 nan 0.000 0.439 440 A N 1.585 124.431 122.820 0.043 0.000 1.902 440 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 440 A C 2.059 179.685 177.584 0.070 0.000 1.181 440 A CA 1.380 53.456 52.037 0.064 0.000 0.623 440 A CB -0.452 18.585 19.000 0.061 0.000 0.818 440 A HN 0.318 nan 8.150 nan 0.000 0.443 441 Q N -0.665 119.171 119.800 0.059 0.000 2.124 441 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 441 Q C 2.284 178.313 176.000 0.049 0.000 0.977 441 Q CA 1.642 57.479 55.803 0.056 0.000 0.850 441 Q CB -0.223 28.544 28.738 0.049 0.000 0.901 441 Q HN 0.788 nan 8.270 nan 0.000 0.429 442 Q N 0.194 120.020 119.800 0.043 0.000 2.119 442 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 442 Q C 2.080 178.111 176.000 0.050 0.000 0.972 442 Q CA 1.211 57.037 55.803 0.039 0.000 0.847 442 Q CB -0.181 28.575 28.738 0.030 0.000 0.903 442 Q HN 0.352 nan 8.270 nan 0.000 0.433 443 A N 1.414 124.273 122.820 0.064 0.000 2.070 443 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 443 A C 1.921 179.574 177.584 0.116 0.000 1.159 443 A CA 1.040 53.133 52.037 0.092 0.000 0.656 443 A CB -0.613 18.454 19.000 0.112 0.000 0.800 443 A HN 0.552 nan 8.150 nan 0.000 0.453 444 I N -5.733 114.891 120.570 0.090 0.000 3.976 444 I HA 0.550 4.720 4.170 -0.000 0.000 0.337 444 I C 0.969 177.117 176.117 0.051 0.000 1.359 444 I CA 0.481 61.822 61.300 0.068 0.000 1.098 444 I CB 0.205 38.233 38.000 0.046 0.000 1.027 444 I HN 0.268 nan 8.210 nan 0.000 0.394 445 G N 1.574 110.403 108.800 0.049 0.000 2.134 445 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.209 445 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.209 445 G C -0.382 174.536 174.900 0.030 0.000 0.993 445 G CA -0.425 44.698 45.100 0.038 0.000 0.669 445 G HN 0.209 nan 8.290 nan 0.000 0.519 446 L N 1.332 122.573 121.223 0.031 0.000 2.305 446 L HA 0.487 4.827 4.340 -0.000 0.000 0.281 446 L C 0.469 177.350 176.870 0.018 0.000 1.085 446 L CA -0.974 53.879 54.840 0.022 0.000 0.813 446 L CB 1.281 43.355 42.059 0.025 0.000 1.157 446 L HN 0.222 nan 8.230 nan 0.000 0.436 447 N N 4.043 122.749 118.700 0.011 0.000 2.868 447 N HA 0.046 4.786 4.740 -0.000 0.000 0.252 447 N C 0.812 176.326 175.510 0.005 0.000 1.130 447 N CA -0.225 52.831 53.050 0.009 0.000 1.026 447 N CB 0.486 38.977 38.487 0.007 0.000 1.335 447 N HN 0.441 nan 8.380 nan 0.000 0.516 448 M N 0.862 120.467 119.600 0.008 0.000 2.132 448 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 448 M C 1.446 177.749 176.300 0.004 0.000 1.065 448 M CA 1.203 56.507 55.300 0.006 0.000 1.122 448 M CB -0.609 31.998 32.600 0.011 0.000 1.365 448 M HN 0.393 nan 8.290 nan 0.000 0.411 449 E N 0.250 120.454 120.200 0.006 0.000 2.058 449 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 449 E C 1.936 178.539 176.600 0.004 0.000 0.997 449 E CA 1.427 57.830 56.400 0.006 0.000 0.801 449 E CB -0.691 29.013 29.700 0.007 0.000 0.746 449 E HN 0.476 nan 8.360 nan 0.000 0.450 450 Q N 1.093 120.895 119.800 0.004 0.000 2.045 450 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 450 Q C 2.193 178.192 176.000 -0.002 0.000 0.991 450 Q CA 1.485 57.289 55.803 0.002 0.000 0.851 450 Q CB -0.538 28.201 28.738 0.002 0.000 0.911 450 Q HN 0.372 nan 8.270 nan 0.000 0.418 451 I N 0.011 120.576 120.570 -0.008 0.000 2.179 451 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 451 I C 2.265 178.373 176.117 -0.015 0.000 1.088 451 I CA 1.561 62.850 61.300 -0.019 0.000 1.357 451 I CB -0.299 37.686 38.000 -0.026 0.000 1.051 451 I HN 0.210 nan 8.210 nan 0.000 0.409 452 K N 0.791 121.187 120.400 -0.007 0.000 2.097 452 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 452 K C 2.247 178.853 176.600 0.010 0.000 1.049 452 K CA 1.369 57.656 56.287 0.000 0.000 0.933 452 K CB -0.236 32.266 32.500 0.003 0.000 0.717 452 K HN 0.316 nan 8.250 nan 0.000 0.442 453 A N 1.927 124.753 122.820 0.010 0.000 1.858 453 A HA -0.225 4.094 4.320 -0.000 0.000 0.216 453 A C 1.941 179.539 177.584 0.024 0.000 1.190 453 A CA 1.559 53.606 52.037 0.016 0.000 0.617 453 A CB -0.455 18.552 19.000 0.012 0.000 0.827 453 A HN 0.290 nan 8.150 nan 0.000 0.443 454 E N -0.621 119.589 120.200 0.017 0.000 2.097 454 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 454 E C 2.113 178.742 176.600 0.049 0.000 1.000 454 E CA 1.619 58.034 56.400 0.024 0.000 0.804 454 E CB -0.139 29.559 29.700 -0.003 0.000 0.740 454 E HN 0.509 nan 8.360 nan 0.000 0.454 455 K N 1.106 121.526 120.400 0.033 0.000 2.057 455 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 455 K C 2.129 178.814 176.600 0.141 0.000 1.050 455 K CA 1.339 57.669 56.287 0.072 0.000 0.935 455 K CB -0.138 32.376 32.500 0.024 0.000 0.715 455 K HN -0.106 nan 8.250 nan 0.000 0.439 456 Q N 0.879 120.727 119.800 0.080 0.000 2.170 456 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 456 Q C 1.429 177.466 176.000 0.061 0.000 0.976 456 Q CA 2.166 58.007 55.803 0.063 0.000 0.858 456 Q CB -0.523 28.236 28.738 0.035 0.000 0.907 456 Q HN 0.511 nan 8.270 nan 0.000 0.433 457 D N -1.386 119.057 120.400 0.072 0.000 2.117 457 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 457 D C 1.552 177.897 176.300 0.075 0.000 0.982 457 D CA 1.047 55.081 54.000 0.057 0.000 0.828 457 D CB -0.273 40.562 40.800 0.058 0.000 0.967 457 D HN 0.323 nan 8.370 nan 0.000 0.464 458 F N 0.823 120.747 119.950 -0.044 0.000 2.102 458 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 458 F C 1.932 177.668 175.800 -0.106 0.000 1.105 458 F CA 1.354 59.308 58.000 -0.076 0.000 1.239 458 F CB -0.311 38.662 39.000 -0.045 0.000 0.991 458 F HN -0.011 nan 8.300 nan 0.000 0.474 459 I N 0.503 121.052 120.570 -0.034 0.000 2.163 459 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 459 I C 2.326 178.314 176.117 -0.214 0.000 1.085 459 I CA 1.687 62.880 61.300 -0.178 0.000 1.347 459 I CB -0.549 37.468 38.000 0.028 0.000 1.044 459 I HN 0.114 nan 8.210 nan 0.000 0.408 460 K N -0.212 120.119 120.400 -0.114 0.000 2.148 460 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 460 K C 2.072 178.592 176.600 -0.134 0.000 1.050 460 K CA 1.936 58.168 56.287 -0.092 0.000 0.942 460 K CB -0.096 32.378 32.500 -0.044 0.000 0.724 460 K HN 0.519 nan 8.250 nan 0.000 0.446 461 T N -3.032 111.413 114.554 -0.182 0.000 3.026 461 T HA 0.068 4.417 4.350 -0.000 0.000 0.245 461 T C 1.942 176.472 174.700 -0.284 0.000 1.004 461 T CA -0.003 61.992 62.100 -0.175 0.000 1.069 461 T CB -0.088 68.717 68.868 -0.105 0.000 1.005 461 T HN -0.127 nan 8.240 nan 0.000 0.472 462 V N 1.695 121.319 119.914 -0.483 0.000 2.407 462 V HA 0.116 4.236 4.120 -0.000 0.000 0.245 462 V C 2.688 178.242 176.094 -0.900 0.000 1.041 462 V CA 1.255 63.126 62.300 -0.716 0.000 1.040 462 V CB -0.611 30.619 31.823 -0.989 0.000 0.671 462 V HN 0.451 nan 8.190 nan 0.000 0.455 463 I N 0.837 120.867 120.570 -0.899 0.000 2.208 463 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 463 I C -0.122 175.856 176.117 -0.231 0.000 1.097 463 I CA 1.581 62.528 61.300 -0.589 0.000 1.363 463 I CB -1.441 36.347 38.000 -0.352 0.000 1.051 463 I HN 0.365 nan 8.210 nan 0.000 0.413 464 P HA -0.165 nan 4.420 nan 0.000 0.222 464 P C 1.383 178.657 177.300 -0.043 0.000 1.147 464 P CA 1.369 64.423 63.100 -0.077 0.000 0.790 464 P CB -0.060 31.596 31.700 -0.073 0.000 0.780 465 Q N -1.565 118.179 119.800 -0.094 0.000 2.079 465 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 465 Q C 2.142 178.225 176.000 0.138 0.000 0.974 465 Q CA 1.203 57.000 55.803 -0.010 0.000 0.840 465 Q CB -0.395 28.312 28.738 -0.051 0.000 0.898 465 Q HN 0.243 nan 8.270 nan 0.000 0.430 466 W N 1.541 122.797 121.300 -0.073 0.000 2.318 466 W HA -0.183 4.477 4.660 -0.000 0.000 0.313 466 W C 1.840 178.320 176.519 -0.065 0.000 1.221 466 W CA 1.170 58.471 57.345 -0.074 0.000 1.266 466 W CB -0.776 28.634 29.460 -0.084 0.000 1.150 466 W HN 0.298 nan 8.180 nan 0.000 0.496 467 E N -0.533 119.780 120.200 0.188 0.000 2.150 467 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 467 E C 1.856 178.489 176.600 0.056 0.000 0.985 467 E CA 1.364 57.822 56.400 0.097 0.000 0.814 467 E CB -0.228 29.519 29.700 0.077 0.000 0.752 467 E HN 0.096 nan 8.360 nan 0.000 0.466 468 E N 1.329 121.562 120.200 0.054 0.000 2.106 468 E HA -0.184 4.165 4.350 -0.000 0.000 0.192 468 E C 1.971 178.586 176.600 0.026 0.000 0.984 468 E CA 1.140 57.559 56.400 0.031 0.000 0.806 468 E CB 0.012 29.726 29.700 0.024 0.000 0.750 468 E HN 0.181 nan 8.360 nan 0.000 0.458 469 Q N -0.604 119.220 119.800 0.041 0.000 2.050 469 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 469 Q C 2.081 178.074 176.000 -0.013 0.000 0.980 469 Q CA 1.491 57.304 55.803 0.018 0.000 0.840 469 Q CB -0.244 28.512 28.738 0.030 0.000 0.898 469 Q HN 0.376 nan 8.270 nan 0.000 0.424 470 A N 1.039 123.847 122.820 -0.019 0.000 1.940 470 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 470 A C 1.996 179.562 177.584 -0.029 0.000 1.176 470 A CA 1.524 53.535 52.037 -0.045 0.000 0.631 470 A CB -0.468 18.502 19.000 -0.050 0.000 0.814 470 A HN 0.314 nan 8.150 nan 0.000 0.446 471 R N -0.783 119.711 120.500 -0.010 0.000 2.066 471 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 471 R C 2.108 178.399 176.300 -0.015 0.000 1.131 471 R CA 1.538 57.633 56.100 -0.009 0.000 0.955 471 R CB -0.284 30.017 30.300 0.001 0.000 0.851 471 R HN 0.268 nan 8.270 nan 0.000 0.432 472 K N 0.713 121.105 120.400 -0.013 0.000 2.103 472 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 472 K C 1.400 177.986 176.600 -0.024 0.000 1.048 472 K CA 1.240 57.518 56.287 -0.015 0.000 0.930 472 K CB -0.226 32.267 32.500 -0.011 0.000 0.716 472 K HN 0.133 nan 8.250 nan 0.000 0.444 473 N N -0.233 118.449 118.700 -0.031 0.000 2.449 473 N HA 0.043 4.783 4.740 -0.000 0.000 0.191 473 N C 0.578 176.063 175.510 -0.043 0.000 1.161 473 N CA 0.945 53.970 53.050 -0.040 0.000 0.863 473 N CB 0.549 39.004 38.487 -0.053 0.000 0.980 473 N HN 0.331 nan 8.380 nan 0.000 0.458 474 G N 0.804 109.582 108.800 -0.037 0.000 2.168 474 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 474 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 474 G C 0.832 175.705 174.900 -0.045 0.000 0.997 474 G CA 0.404 45.481 45.100 -0.039 0.000 0.708 474 G HN 0.402 nan 8.290 nan 0.000 0.520 475 L N -1.648 119.544 121.223 -0.051 0.000 2.313 475 L HA 0.364 4.704 4.340 -0.000 0.000 0.214 475 L C 1.147 177.991 176.870 -0.043 0.000 1.119 475 L CA 0.444 55.248 54.840 -0.059 0.000 0.809 475 L CB -0.010 41.998 42.059 -0.084 0.000 0.933 475 L HN 0.316 nan 8.230 nan 0.000 0.449 476 L N -0.771 120.435 121.223 -0.029 0.000 2.381 476 L HA 0.362 4.702 4.340 -0.000 0.000 0.268 476 L C 0.178 177.046 176.870 -0.002 0.000 0.997 476 L CA -0.483 54.352 54.840 -0.008 0.000 0.818 476 L CB 1.935 43.994 42.059 -0.001 0.000 1.310 476 L HN -0.072 nan 8.230 nan 0.000 0.416 477 S N 3.074 118.780 115.700 0.011 0.000 2.549 477 S HA 0.332 4.802 4.470 -0.000 0.000 0.283 477 S C 0.117 174.723 174.600 0.009 0.000 1.320 477 S CA -0.222 57.982 58.200 0.006 0.000 1.058 477 S CB 0.746 63.958 63.200 0.020 0.000 0.882 477 S HN 0.735 nan 8.310 nan 0.000 0.498 478 Q N 0.000 119.799 119.800 -0.001 0.000 2.315 478 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 478 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 478 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 478 Q HN 0.000 nan 8.270 nan 0.000 0.481