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 3m78_1_A DATA FIRST_RESID 7 DATA SEQUENCE FPLPTGYFDI PLGLAALSLA WFHLENLFPA ARMVSDVLGI VASAVWILFI DATA SEQUENCE LMYAYKLRYY FEEVRAEYHS PVRFSFIALI PITTMLVGDI LYRWNPLIAE DATA SEQUENCE VLIWIGTIGQ LLFSTLRVSE LWQGGVFEQK STHPSFYLPA VAANFTSASS DATA SEQUENCE LALLGYHDLG YLFFGAGMIA WIIFEPVLLQ HLRISSLEPQ FRATMGIVLA DATA SEQUENCE PAFVCVSAYL SINHGEVDTL AKILWGYGFL QLFFLLRLFP WIVEKGLNIG DATA SEQUENCE LWAFSGGLAS MANSATAFYH GNVLQGVSIF AFVFSNVMIG LLVLMTIYKL DATA SEQUENCE TKGQFFL 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 7 F HA 0.000 nan 4.527 nan 0.000 0.279 7 F C 0.000 175.657 175.800 -0.239 0.000 0.967 7 F CA 0.000 57.754 58.000 -0.410 0.000 1.383 7 F CB 0.000 38.622 39.000 -0.630 0.000 1.145 8 P HA -0.073 nan 4.420 nan 0.000 0.222 8 P C 0.042 177.189 177.300 -0.256 0.000 1.147 8 P CA 0.883 63.732 63.100 -0.419 0.000 0.790 8 P CB 0.501 31.889 31.700 -0.519 0.000 0.780 9 L N 1.503 122.572 121.223 -0.257 0.000 2.283 9 L HA 0.485 4.822 4.340 -0.005 0.000 0.281 9 L C -2.625 174.216 176.870 -0.048 0.000 1.033 9 L CA -2.667 52.104 54.840 -0.115 0.000 0.848 9 L CB 0.972 43.074 42.059 0.071 0.000 1.226 9 L HN -0.264 nan 8.230 nan 0.000 0.429 10 P HA 0.139 nan 4.420 nan 0.000 0.268 10 P C 0.576 177.802 177.300 -0.124 0.000 1.204 10 P CA 0.006 62.934 63.100 -0.286 0.000 0.768 10 P CB 0.625 32.032 31.700 -0.489 0.000 0.842 11 T N 1.986 116.560 114.554 0.033 0.000 2.759 11 T HA -0.131 4.216 4.350 -0.005 0.000 0.269 11 T C 2.046 176.864 174.700 0.196 0.000 1.042 11 T CA 1.895 64.099 62.100 0.174 0.000 1.140 11 T CB -0.910 68.057 68.868 0.164 0.000 0.864 11 T HN 0.644 nan 8.240 nan 0.000 0.455 12 G N 0.142 108.938 108.800 -0.005 0.000 2.499 12 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.221 12 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.221 12 G C 1.086 176.125 174.900 0.232 0.000 1.109 12 G CA 0.504 45.615 45.100 0.017 0.000 0.749 12 G HN 0.467 nan 8.290 nan 0.000 0.568 13 Y N -0.364 119.886 120.300 -0.082 0.000 2.574 13 Y HA 0.139 4.687 4.550 -0.004 0.000 0.294 13 Y C 2.036 177.947 175.900 0.018 0.000 1.142 13 Y CA -0.770 57.236 58.100 -0.156 0.000 1.314 13 Y CB -0.537 37.646 38.460 -0.463 0.000 0.991 13 Y HN 0.247 nan 8.280 nan 0.000 0.555 14 F N 0.169 120.258 119.950 0.231 0.000 2.408 14 F HA -0.180 4.345 4.527 -0.004 0.000 0.300 14 F C 1.908 177.826 175.800 0.196 0.000 1.090 14 F CA 0.965 59.137 58.000 0.288 0.000 1.427 14 F CB -0.173 38.949 39.000 0.202 0.000 1.070 14 F HN 0.005 nan 8.300 nan 0.000 0.549 15 D N 0.386 120.965 120.400 0.297 0.000 2.221 15 D HA -0.176 4.461 4.640 -0.005 0.000 0.204 15 D C 2.333 178.691 176.300 0.098 0.000 0.982 15 D CA 1.120 55.266 54.000 0.242 0.000 0.857 15 D CB -0.137 40.838 40.800 0.292 0.000 0.934 15 D HN 0.299 nan 8.370 nan 0.000 0.475 16 I N 1.297 121.738 120.570 -0.215 0.000 2.193 16 I HA -0.159 4.008 4.170 -0.005 0.000 0.240 16 I C -0.636 175.251 176.117 -0.382 0.000 1.084 16 I CA 0.927 61.748 61.300 -0.797 0.000 1.365 16 I CB -1.176 36.265 38.000 -0.932 0.000 1.064 16 I HN 0.010 nan 8.210 nan 0.000 0.410 17 P HA -0.128 nan 4.420 nan 0.000 0.222 17 P C 2.002 179.347 177.300 0.075 0.000 1.153 17 P CA 1.188 64.269 63.100 -0.030 0.000 0.798 17 P CB 0.078 31.812 31.700 0.056 0.000 0.796 18 L N 0.344 121.652 121.223 0.142 0.000 1.955 18 L HA -0.122 4.216 4.340 -0.005 0.000 0.213 18 L C 2.550 179.511 176.870 0.151 0.000 1.072 18 L CA 2.558 57.492 54.840 0.157 0.000 0.755 18 L CB -1.420 40.761 42.059 0.203 0.000 0.888 18 L HN -0.006 nan 8.230 nan 0.000 0.432 19 G N -0.380 108.549 108.800 0.214 0.000 2.442 19 G HA2 -0.243 3.714 3.960 -0.005 0.000 0.219 19 G HA3 -0.243 3.714 3.960 -0.005 0.000 0.219 19 G C 1.553 176.595 174.900 0.236 0.000 1.141 19 G CA 1.020 46.291 45.100 0.284 0.000 0.763 19 G HN 0.405 nan 8.290 nan 0.000 0.554 20 L N 0.344 121.680 121.223 0.189 0.000 2.156 20 L HA 0.042 4.380 4.340 -0.005 0.000 0.208 20 L C 3.346 180.273 176.870 0.095 0.000 1.095 20 L CA 0.816 55.740 54.840 0.141 0.000 0.770 20 L CB -0.279 41.824 42.059 0.074 0.000 0.914 20 L HN 0.321 nan 8.230 nan 0.000 0.439 21 A N -0.005 122.856 122.820 0.069 0.000 1.897 21 A HA -0.082 4.236 4.320 -0.005 0.000 0.215 21 A C 2.510 180.120 177.584 0.043 0.000 1.181 21 A CA 1.439 53.495 52.037 0.031 0.000 0.620 21 A CB -0.583 18.409 19.000 -0.013 0.000 0.821 21 A HN 0.361 nan 8.150 nan 0.000 0.443 22 A N -0.636 122.226 122.820 0.071 0.000 1.933 22 A HA -0.022 4.295 4.320 -0.005 0.000 0.218 22 A C 2.079 179.732 177.584 0.115 0.000 1.175 22 A CA 1.676 53.761 52.037 0.081 0.000 0.628 22 A CB -0.538 18.519 19.000 0.096 0.000 0.814 22 A HN 0.546 nan 8.150 nan 0.000 0.444 23 L N -0.195 121.111 121.223 0.139 0.000 2.093 23 L HA -0.082 4.255 4.340 -0.005 0.000 0.208 23 L C 2.647 179.689 176.870 0.286 0.000 1.085 23 L CA 2.239 57.199 54.840 0.199 0.000 0.755 23 L CB -0.712 41.461 42.059 0.190 0.000 0.904 23 L HN 0.394 nan 8.230 nan 0.000 0.435 24 S N -0.802 115.008 115.700 0.183 0.000 2.359 24 S HA -0.205 4.262 4.470 -0.005 0.000 0.224 24 S C 2.050 176.756 174.600 0.178 0.000 1.035 24 S CA 1.796 60.097 58.200 0.167 0.000 1.018 24 S CB -0.383 62.859 63.200 0.070 0.000 0.876 24 S HN 0.486 nan 8.310 nan 0.000 0.448 25 L N 1.164 122.430 121.223 0.072 0.000 2.083 25 L HA -0.053 4.284 4.340 -0.005 0.000 0.209 25 L C 2.999 179.854 176.870 -0.025 0.000 1.083 25 L CA 1.130 55.947 54.840 -0.039 0.000 0.752 25 L CB -0.801 41.214 42.059 -0.074 0.000 0.899 25 L HN 0.424 nan 8.230 nan 0.000 0.433 26 A N -0.344 122.570 122.820 0.156 0.000 1.883 26 A HA -0.245 4.072 4.320 -0.005 0.000 0.217 26 A C 1.930 179.685 177.584 0.286 0.000 1.186 26 A CA 1.794 53.984 52.037 0.255 0.000 0.624 26 A CB -0.998 18.136 19.000 0.224 0.000 0.822 26 A HN 0.523 nan 8.150 nan 0.000 0.444 27 W N -1.757 119.678 121.300 0.226 0.000 2.436 27 W HA 0.024 4.681 4.660 -0.005 0.000 0.284 27 W C 1.922 178.520 176.519 0.133 0.000 1.225 27 W CA 0.736 58.223 57.345 0.236 0.000 1.271 27 W CB -0.501 29.073 29.460 0.190 0.000 1.114 27 W HN 0.412 nan 8.180 nan 0.000 0.559 28 F N 0.454 120.491 119.950 0.145 0.000 2.120 28 F HA -0.285 4.239 4.527 -0.005 0.000 0.300 28 F C 2.058 177.858 175.800 0.000 0.000 1.095 28 F CA 2.185 60.176 58.000 -0.015 0.000 1.249 28 F CB -0.700 38.178 39.000 -0.203 0.000 0.995 28 F HN -0.024 nan 8.300 nan 0.000 0.480 29 H N -0.778 118.432 119.070 0.234 0.000 2.563 29 H HA 0.045 4.598 4.556 -0.004 0.000 0.272 29 H C 1.732 177.161 175.328 0.169 0.000 1.005 29 H CA 0.382 56.519 56.048 0.148 0.000 1.171 29 H CB -0.043 29.830 29.762 0.185 0.000 1.351 29 H HN 0.316 nan 8.280 nan 0.000 0.602 30 L N -0.263 121.069 121.223 0.182 0.000 2.616 30 L HA 0.021 4.358 4.340 -0.005 0.000 0.229 30 L C 2.149 179.080 176.870 0.102 0.000 1.110 30 L CA 0.182 55.099 54.840 0.129 0.000 0.884 30 L CB 0.125 42.180 42.059 -0.006 0.000 1.115 30 L HN 0.346 nan 8.230 nan 0.000 0.481 31 E N 0.980 121.181 120.200 0.001 0.000 2.086 31 E HA -0.266 4.081 4.350 -0.005 0.000 0.200 31 E C 1.203 177.787 176.600 -0.026 0.000 1.012 31 E CA 1.465 57.831 56.400 -0.057 0.000 0.812 31 E CB 0.202 29.739 29.700 -0.273 0.000 0.743 31 E HN 0.448 nan 8.360 nan 0.000 0.453 32 N N -0.211 118.478 118.700 -0.017 0.000 2.521 32 N HA -0.017 4.720 4.740 -0.005 0.000 0.188 32 N C 1.352 176.834 175.510 -0.047 0.000 1.146 32 N CA 0.440 53.479 53.050 -0.018 0.000 0.893 32 N CB 0.250 38.733 38.487 -0.008 0.000 0.975 32 N HN 0.271 nan 8.380 nan 0.000 0.451 33 L N -1.753 119.420 121.223 -0.084 0.000 2.425 33 L HA 0.269 4.606 4.340 -0.005 0.000 0.215 33 L C -0.493 175.919 176.870 -0.763 0.000 1.065 33 L CA 0.487 55.083 54.840 -0.407 0.000 0.842 33 L CB 0.298 42.132 42.059 -0.376 0.000 1.033 33 L HN -0.107 nan 8.230 nan 0.000 0.474 34 F N -0.867 119.074 119.950 -0.015 0.000 3.164 34 F HA 0.325 4.850 4.527 -0.002 0.000 0.375 34 F C -2.029 173.786 175.800 0.024 0.000 1.257 34 F CA -1.578 56.420 58.000 -0.002 0.000 1.171 34 F CB 0.940 39.927 39.000 -0.021 0.000 1.588 34 F HN -0.315 nan 8.300 nan 0.000 0.604 35 P HA -0.218 nan 4.420 nan 0.000 0.217 35 P C 1.520 178.884 177.300 0.107 0.000 1.148 35 P CA 1.751 64.904 63.100 0.089 0.000 0.828 35 P CB 0.318 32.054 31.700 0.060 0.000 0.783 36 A N -0.431 122.473 122.820 0.140 0.000 2.172 36 A HA 0.008 4.325 4.320 -0.005 0.000 0.216 36 A C 2.183 179.845 177.584 0.131 0.000 1.154 36 A CA 1.462 53.565 52.037 0.111 0.000 0.701 36 A CB -1.277 17.781 19.000 0.097 0.000 0.789 36 A HN 0.199 nan 8.150 nan 0.000 0.465 37 A N 0.115 123.073 122.820 0.229 0.000 2.015 37 A HA -0.097 4.220 4.320 -0.005 0.000 0.219 37 A C 2.117 179.831 177.584 0.216 0.000 1.163 37 A CA 1.829 54.091 52.037 0.375 0.000 0.646 37 A CB -0.384 18.903 19.000 0.477 0.000 0.806 37 A HN 0.455 nan 8.150 nan 0.000 0.448 38 R N -0.429 120.134 120.500 0.106 0.000 2.080 38 R HA -0.168 4.169 4.340 -0.005 0.000 0.236 38 R C 1.972 178.318 176.300 0.077 0.000 1.137 38 R CA 2.324 58.458 56.100 0.056 0.000 0.943 38 R CB -0.796 29.510 30.300 0.010 0.000 0.846 38 R HN 0.438 nan 8.270 nan 0.000 0.431 39 M N -0.300 119.332 119.600 0.053 0.000 2.073 39 M HA -0.143 4.334 4.480 -0.005 0.000 0.258 39 M C 1.936 178.220 176.300 -0.026 0.000 1.070 39 M CA 1.874 57.193 55.300 0.031 0.000 1.103 39 M CB -0.647 31.958 32.600 0.009 0.000 1.321 39 M HN 0.051 nan 8.290 nan 0.000 0.405 40 V N -0.614 119.225 119.914 -0.126 0.000 2.343 40 V HA -0.257 3.860 4.120 -0.005 0.000 0.247 40 V C 2.565 178.506 176.094 -0.255 0.000 1.051 40 V CA 2.071 64.163 62.300 -0.345 0.000 1.036 40 V CB -1.170 30.145 31.823 -0.847 0.000 0.654 40 V HN 0.724 nan 8.190 nan 0.000 0.451 41 S N -0.359 115.316 115.700 -0.041 0.000 2.368 41 S HA -0.239 4.228 4.470 -0.005 0.000 0.225 41 S C 1.767 176.428 174.600 0.102 0.000 1.030 41 S CA 1.911 60.181 58.200 0.115 0.000 0.999 41 S CB -0.420 62.948 63.200 0.280 0.000 0.844 41 S HN 0.651 nan 8.310 nan 0.000 0.459 42 D N 0.605 121.082 120.400 0.128 0.000 2.117 42 D HA -0.045 4.593 4.640 -0.005 0.000 0.198 42 D C 2.089 178.500 176.300 0.185 0.000 0.982 42 D CA 1.012 55.149 54.000 0.228 0.000 0.828 42 D CB -0.582 40.408 40.800 0.318 0.000 0.967 42 D HN 0.295 nan 8.370 nan 0.000 0.464 43 V N 0.893 120.850 119.914 0.072 0.000 2.343 43 V HA -0.194 3.923 4.120 -0.005 0.000 0.247 43 V C 2.599 178.704 176.094 0.018 0.000 1.051 43 V CA 1.096 63.411 62.300 0.026 0.000 1.036 43 V CB -0.369 31.432 31.823 -0.036 0.000 0.654 43 V HN 0.189 nan 8.190 nan 0.000 0.451 44 L N 0.190 121.409 121.223 -0.007 0.000 2.093 44 L HA -0.058 4.280 4.340 -0.005 0.000 0.208 44 L C 2.584 179.482 176.870 0.047 0.000 1.085 44 L CA 1.626 56.469 54.840 0.005 0.000 0.755 44 L CB -0.975 41.079 42.059 -0.009 0.000 0.904 44 L HN 0.465 nan 8.230 nan 0.000 0.435 45 G N -0.109 108.740 108.800 0.081 0.000 2.422 45 G HA2 -0.181 3.776 3.960 -0.005 0.000 0.218 45 G HA3 -0.181 3.776 3.960 -0.005 0.000 0.218 45 G C 1.586 176.571 174.900 0.142 0.000 1.140 45 G CA 0.487 45.648 45.100 0.101 0.000 0.775 45 G HN 0.272 nan 8.290 nan 0.000 0.545 46 I N 0.170 120.834 120.570 0.158 0.000 2.333 46 I HA -0.085 4.082 4.170 -0.005 0.000 0.246 46 I C 2.720 178.868 176.117 0.053 0.000 1.106 46 I CA 0.264 61.632 61.300 0.114 0.000 1.411 46 I CB -0.043 38.004 38.000 0.078 0.000 1.082 46 I HN 0.005 nan 8.210 nan 0.000 0.420 47 V N 1.101 121.033 119.914 0.029 0.000 2.295 47 V HA -0.312 3.805 4.120 -0.005 0.000 0.246 47 V C 2.696 178.781 176.094 -0.015 0.000 1.049 47 V CA 2.088 64.384 62.300 -0.007 0.000 1.024 47 V CB -1.079 30.734 31.823 -0.017 0.000 0.648 47 V HN 0.493 nan 8.190 nan 0.000 0.447 48 A N -0.573 122.253 122.820 0.009 0.000 1.933 48 A HA -0.185 4.132 4.320 -0.005 0.000 0.218 48 A C 2.471 180.089 177.584 0.055 0.000 1.175 48 A CA 2.159 54.200 52.037 0.006 0.000 0.628 48 A CB -0.602 18.409 19.000 0.019 0.000 0.814 48 A HN 0.505 nan 8.150 nan 0.000 0.444 49 S N -0.322 115.430 115.700 0.086 0.000 2.387 49 S HA 0.052 4.519 4.470 -0.005 0.000 0.226 49 S C 2.257 176.981 174.600 0.207 0.000 1.026 49 S CA 1.004 59.303 58.200 0.166 0.000 0.972 49 S CB -0.318 62.969 63.200 0.145 0.000 0.814 49 S HN 0.769 nan 8.310 nan 0.000 0.477 50 A N 1.032 123.903 122.820 0.085 0.000 1.897 50 A HA 0.021 4.339 4.320 -0.005 0.000 0.215 50 A C 2.277 179.834 177.584 -0.044 0.000 1.181 50 A CA 1.139 53.195 52.037 0.032 0.000 0.620 50 A CB -0.765 18.230 19.000 -0.009 0.000 0.821 50 A HN 0.331 nan 8.150 nan 0.000 0.443 51 V N -1.963 117.872 119.914 -0.132 0.000 2.407 51 V HA -0.248 3.869 4.120 -0.005 0.000 0.248 51 V C 2.165 178.003 176.094 -0.427 0.000 1.055 51 V CA 1.831 63.888 62.300 -0.406 0.000 1.049 51 V CB -0.897 30.621 31.823 -0.509 0.000 0.662 51 V HN 0.870 nan 8.190 nan 0.000 0.455 52 W N 0.591 121.738 121.300 -0.255 0.000 2.381 52 W HA -0.126 4.531 4.660 -0.005 0.000 0.301 52 W C 2.158 178.714 176.519 0.061 0.000 1.205 52 W CA 1.533 58.841 57.345 -0.061 0.000 1.285 52 W CB -0.219 29.269 29.460 0.046 0.000 1.133 52 W HN 0.171 nan 8.180 nan 0.000 0.521 53 I N 0.406 120.983 120.570 0.012 0.000 2.163 53 I HA -0.329 3.838 4.170 -0.005 0.000 0.243 53 I C 2.451 178.499 176.117 -0.115 0.000 1.085 53 I CA 1.479 62.693 61.300 -0.144 0.000 1.347 53 I CB -0.999 37.025 38.000 0.041 0.000 1.044 53 I HN 0.076 nan 8.210 nan 0.000 0.408 54 L N 0.394 121.588 121.223 -0.048 0.000 2.013 54 L HA -0.246 4.091 4.340 -0.005 0.000 0.212 54 L C 2.204 179.198 176.870 0.207 0.000 1.073 54 L CA 2.101 56.971 54.840 0.049 0.000 0.753 54 L CB -0.713 41.371 42.059 0.042 0.000 0.890 54 L HN 0.046 nan 8.230 nan 0.000 0.432 55 F N -0.812 119.052 119.950 -0.142 0.000 2.234 55 F HA -0.069 4.455 4.527 -0.004 0.000 0.296 55 F C 2.485 178.287 175.800 0.003 0.000 1.089 55 F CA 0.394 58.267 58.000 -0.212 0.000 1.343 55 F CB -0.746 37.824 39.000 -0.718 0.000 1.040 55 F HN 0.032 nan 8.300 nan 0.000 0.498 56 I N -0.289 120.323 120.570 0.071 0.000 2.286 56 I HA -0.265 3.902 4.170 -0.005 0.000 0.248 56 I C 2.401 178.581 176.117 0.105 0.000 1.115 56 I CA 1.283 62.599 61.300 0.028 0.000 1.392 56 I CB -1.046 36.654 38.000 -0.499 0.000 1.065 56 I HN 0.138 nan 8.210 nan 0.000 0.418 57 L N -0.565 120.697 121.223 0.065 0.000 2.109 57 L HA -0.164 4.173 4.340 -0.005 0.000 0.207 57 L C 2.675 179.662 176.870 0.196 0.000 1.086 57 L CA 0.962 55.865 54.840 0.105 0.000 0.760 57 L CB -0.347 41.744 42.059 0.054 0.000 0.910 57 L HN 0.177 nan 8.230 nan 0.000 0.437 58 M N -1.578 118.150 119.600 0.213 0.000 2.108 58 M HA -0.272 4.205 4.480 -0.005 0.000 0.261 58 M C 2.340 178.921 176.300 0.468 0.000 1.066 58 M CA 1.977 57.470 55.300 0.321 0.000 1.107 58 M CB -0.567 32.175 32.600 0.236 0.000 1.356 58 M HN 0.160 nan 8.290 nan 0.000 0.406 59 Y N 0.764 121.207 120.300 0.238 0.000 2.263 59 Y HA -0.083 4.464 4.550 -0.005 0.000 0.292 59 Y C 2.475 178.403 175.900 0.047 0.000 1.130 59 Y CA 1.315 59.469 58.100 0.091 0.000 1.179 59 Y CB -0.254 38.298 38.460 0.154 0.000 0.998 59 Y HN 0.169 nan 8.280 nan 0.000 0.532 60 A N -0.813 122.122 122.820 0.192 0.000 1.933 60 A HA -0.268 4.050 4.320 -0.005 0.000 0.218 60 A C 2.050 179.694 177.584 0.099 0.000 1.175 60 A CA 1.717 53.822 52.037 0.114 0.000 0.628 60 A CB -1.455 17.624 19.000 0.132 0.000 0.814 60 A HN 0.668 nan 8.150 nan 0.000 0.444 61 Y N 0.362 120.716 120.300 0.091 0.000 2.224 61 Y HA -0.190 4.358 4.550 -0.004 0.000 0.289 61 Y C 2.404 178.411 175.900 0.179 0.000 1.146 61 Y CA 2.251 60.488 58.100 0.228 0.000 1.182 61 Y CB -0.077 38.580 38.460 0.328 0.000 0.983 61 Y HN 0.290 nan 8.280 nan 0.000 0.524 62 K N 0.039 120.374 120.400 -0.109 0.000 2.062 62 K HA -0.140 4.177 4.320 -0.005 0.000 0.205 62 K C 2.037 178.446 176.600 -0.319 0.000 1.051 62 K CA 1.378 57.298 56.287 -0.612 0.000 0.941 62 K CB -0.352 31.124 32.500 -1.707 0.000 0.719 62 K HN 0.375 nan 8.250 nan 0.000 0.440 63 L N 0.604 121.632 121.223 -0.324 0.000 2.127 63 L HA -0.210 4.128 4.340 -0.005 0.000 0.211 63 L C 2.665 179.515 176.870 -0.034 0.000 1.089 63 L CA 1.267 56.067 54.840 -0.066 0.000 0.757 63 L CB -0.271 41.763 42.059 -0.041 0.000 0.899 63 L HN 0.184 nan 8.230 nan 0.000 0.434 64 R N -0.924 119.446 120.500 -0.217 0.000 2.090 64 R HA -0.094 4.243 4.340 -0.005 0.000 0.219 64 R C 1.474 177.404 176.300 -0.617 0.000 1.100 64 R CA 1.528 57.328 56.100 -0.500 0.000 0.991 64 R CB -0.168 29.696 30.300 -0.727 0.000 0.893 64 R HN 0.246 nan 8.270 nan 0.000 0.443 65 Y N -2.337 117.907 120.300 -0.094 0.000 2.426 65 Y HA 0.304 4.851 4.550 -0.005 0.000 0.249 65 Y C -0.026 175.837 175.900 -0.062 0.000 1.103 65 Y CA -0.290 57.745 58.100 -0.108 0.000 1.256 65 Y CB 0.598 38.908 38.460 -0.249 0.000 1.208 65 Y HN -0.041 nan 8.280 nan 0.000 0.519 66 Y N -1.374 118.943 120.300 0.028 0.000 2.634 66 Y HA 0.141 4.689 4.550 -0.004 0.000 0.292 66 Y C 1.054 176.931 175.900 -0.038 0.000 0.996 66 Y CA -0.808 57.301 58.100 0.015 0.000 1.165 66 Y CB -0.148 38.307 38.460 -0.008 0.000 1.194 66 Y HN 0.047 nan 8.280 nan 0.000 0.585 67 F N 1.092 121.029 119.950 -0.022 0.000 2.234 67 F HA -0.141 4.383 4.527 -0.005 0.000 0.299 67 F C 1.910 177.694 175.800 -0.027 0.000 1.087 67 F CA 1.621 59.581 58.000 -0.068 0.000 1.340 67 F CB 0.319 39.264 39.000 -0.092 0.000 1.031 67 F HN 0.085 nan 8.300 nan 0.000 0.500 68 E N 0.447 120.632 120.200 -0.026 0.000 2.153 68 E HA -0.264 4.084 4.350 -0.005 0.000 0.194 68 E C 2.084 178.619 176.600 -0.108 0.000 0.988 68 E CA 1.376 57.730 56.400 -0.077 0.000 0.811 68 E CB -0.449 29.266 29.700 0.026 0.000 0.746 68 E HN 0.708 nan 8.360 nan 0.000 0.466 69 E N 0.446 120.609 120.200 -0.061 0.000 2.152 69 E HA -0.096 4.252 4.350 -0.005 0.000 0.192 69 E C 1.937 178.474 176.600 -0.105 0.000 0.983 69 E CA 0.784 57.167 56.400 -0.027 0.000 0.818 69 E CB 0.220 29.957 29.700 0.062 0.000 0.758 69 E HN -0.003 nan 8.360 nan 0.000 0.467 70 V N 1.277 121.043 119.914 -0.247 0.000 2.453 70 V HA -0.177 3.941 4.120 -0.005 0.000 0.247 70 V C 2.602 178.530 176.094 -0.278 0.000 1.048 70 V CA 1.918 64.064 62.300 -0.257 0.000 1.049 70 V CB -0.636 30.967 31.823 -0.367 0.000 0.672 70 V HN 0.293 nan 8.190 nan 0.000 0.457 71 R N 0.455 120.648 120.500 -0.512 0.000 2.105 71 R HA -0.168 4.169 4.340 -0.005 0.000 0.239 71 R C 2.178 178.444 176.300 -0.057 0.000 1.135 71 R CA 1.748 57.625 56.100 -0.371 0.000 0.967 71 R CB -0.319 29.761 30.300 -0.367 0.000 0.861 71 R HN 0.492 nan 8.270 nan 0.000 0.442 72 A N 1.282 124.101 122.820 -0.003 0.000 1.930 72 A HA -0.147 4.170 4.320 -0.005 0.000 0.215 72 A C 1.926 179.583 177.584 0.122 0.000 1.176 72 A CA 1.232 53.328 52.037 0.097 0.000 0.632 72 A CB -0.383 18.662 19.000 0.074 0.000 0.819 72 A HN 0.678 nan 8.150 nan 0.000 0.445 73 E N -1.581 118.682 120.200 0.105 0.000 2.106 73 E HA -0.260 4.087 4.350 -0.005 0.000 0.192 73 E C 1.899 178.621 176.600 0.203 0.000 0.984 73 E CA 1.363 57.859 56.400 0.160 0.000 0.806 73 E CB -0.665 29.132 29.700 0.161 0.000 0.750 73 E HN 0.613 nan 8.360 nan 0.000 0.458 74 Y N 1.649 121.969 120.300 0.034 0.000 2.151 74 Y HA -0.282 4.265 4.550 -0.005 0.000 0.284 74 Y C 2.141 178.018 175.900 -0.037 0.000 1.166 74 Y CA 2.368 60.473 58.100 0.008 0.000 1.163 74 Y CB -0.162 38.181 38.460 -0.195 0.000 0.974 74 Y HN 0.170 nan 8.280 nan 0.000 0.511 75 H N -1.018 118.132 119.070 0.132 0.000 2.512 75 H HA 0.096 4.649 4.556 -0.004 0.000 0.279 75 H C 1.128 176.454 175.328 -0.002 0.000 0.999 75 H CA 0.822 56.877 56.048 0.011 0.000 1.283 75 H CB -0.441 29.375 29.762 0.089 0.000 1.421 75 H HN 0.141 nan 8.280 nan 0.000 0.554 76 S N 2.962 118.765 115.700 0.171 0.000 2.546 76 S HA -0.004 4.463 4.470 -0.005 0.000 0.290 76 S C -1.280 173.443 174.600 0.205 0.000 1.290 76 S CA -1.175 57.118 58.200 0.155 0.000 1.069 76 S CB 0.948 64.246 63.200 0.165 0.000 0.846 76 S HN 0.131 nan 8.310 nan 0.000 0.495 77 P HA 0.015 nan 4.420 nan 0.000 0.237 77 P C 0.935 178.419 177.300 0.305 0.000 1.178 77 P CA 0.408 63.647 63.100 0.230 0.000 0.766 77 P CB 0.123 31.873 31.700 0.083 0.000 0.876 78 V N -0.008 119.974 119.914 0.113 0.000 2.840 78 V HA 0.113 4.231 4.120 -0.005 0.000 0.234 78 V C 2.523 178.600 176.094 -0.027 0.000 1.159 78 V CA 0.739 62.997 62.300 -0.069 0.000 1.194 78 V CB -0.594 31.066 31.823 -0.270 0.000 0.971 78 V HN -0.074 nan 8.190 nan 0.000 0.494 79 R N 0.620 121.204 120.500 0.140 0.000 2.237 79 R HA -0.099 4.238 4.340 -0.005 0.000 0.219 79 R C 2.249 178.660 176.300 0.185 0.000 1.080 79 R CA 1.623 57.887 56.100 0.272 0.000 0.995 79 R CB -0.491 29.992 30.300 0.304 0.000 0.875 79 R HN 0.711 nan 8.270 nan 0.000 0.462 80 F N 0.412 120.406 119.950 0.073 0.000 2.192 80 F HA -0.141 4.383 4.527 -0.004 0.000 0.301 80 F C 1.927 177.808 175.800 0.135 0.000 1.079 80 F CA 1.017 59.059 58.000 0.071 0.000 1.303 80 F CB -0.645 38.278 39.000 -0.129 0.000 1.024 80 F HN -0.218 nan 8.300 nan 0.000 0.494 81 S N 0.941 115.995 115.700 -1.075 0.000 2.370 81 S HA -0.176 4.292 4.470 -0.005 0.000 0.226 81 S C 1.601 175.902 174.600 -0.499 0.000 1.033 81 S CA 1.750 59.344 58.200 -1.010 0.000 1.011 81 S CB -0.832 61.700 63.200 -1.114 0.000 0.852 81 S HN 0.456 nan 8.310 nan 0.000 0.457 82 F N 1.343 121.207 119.950 -0.143 0.000 2.333 82 F HA 0.040 4.564 4.527 -0.004 0.000 0.300 82 F C 1.888 177.592 175.800 -0.160 0.000 1.083 82 F CA 0.213 58.168 58.000 -0.075 0.000 1.395 82 F CB -0.757 38.248 39.000 0.009 0.000 1.056 82 F HN 0.168 nan 8.300 nan 0.000 0.529 83 I N -0.016 120.513 120.570 -0.069 0.000 2.361 83 I HA -0.306 3.861 4.170 -0.005 0.000 0.251 83 I C 2.543 178.324 176.117 -0.561 0.000 1.133 83 I CA 1.046 62.134 61.300 -0.352 0.000 1.413 83 I CB -0.624 37.169 38.000 -0.344 0.000 1.073 83 I HN 0.121 nan 8.210 nan 0.000 0.424 84 A N 0.593 123.144 122.820 -0.449 0.000 2.125 84 A HA -0.134 4.183 4.320 -0.005 0.000 0.219 84 A C 2.217 179.663 177.584 -0.230 0.000 1.156 84 A CA 1.144 52.971 52.037 -0.349 0.000 0.671 84 A CB -0.704 18.231 19.000 -0.110 0.000 0.794 84 A HN 0.438 nan 8.150 nan 0.000 0.459 85 L N -0.663 120.448 121.223 -0.187 0.000 2.275 85 L HA -0.128 4.209 4.340 -0.005 0.000 0.215 85 L C 2.238 178.962 176.870 -0.243 0.000 1.119 85 L CA 0.581 55.367 54.840 -0.091 0.000 0.790 85 L CB -0.405 41.699 42.059 0.075 0.000 0.919 85 L HN 0.426 nan 8.230 nan 0.000 0.443 86 I N 0.458 120.719 120.570 -0.515 0.000 2.133 86 I HA -0.165 4.002 4.170 -0.005 0.000 0.238 86 I C -0.191 175.817 176.117 -0.181 0.000 1.074 86 I CA 1.289 62.218 61.300 -0.619 0.000 1.342 86 I CB -1.580 35.958 38.000 -0.771 0.000 1.053 86 I HN 0.198 nan 8.210 nan 0.000 0.404 87 P HA -0.136 nan 4.420 nan 0.000 0.218 87 P C 1.902 179.173 177.300 -0.049 0.000 1.149 87 P CA 1.640 64.699 63.100 -0.067 0.000 0.817 87 P CB -0.027 31.622 31.700 -0.085 0.000 0.785 88 I N 0.454 120.991 120.570 -0.055 0.000 2.142 88 I HA -0.208 3.959 4.170 -0.005 0.000 0.240 88 I C 2.587 178.693 176.117 -0.019 0.000 1.078 88 I CA 2.328 63.610 61.300 -0.029 0.000 1.343 88 I CB -1.153 36.847 38.000 -0.001 0.000 1.046 88 I HN 0.082 nan 8.210 nan 0.000 0.405 89 T N -2.892 111.691 114.554 0.049 0.000 2.867 89 T HA -0.124 4.224 4.350 -0.005 0.000 0.268 89 T C 1.803 176.364 174.700 -0.231 0.000 1.057 89 T CA 1.607 63.732 62.100 0.042 0.000 1.136 89 T CB -0.775 68.305 68.868 0.352 0.000 0.874 89 T HN 0.203 nan 8.240 nan 0.000 0.466 90 T N 2.237 116.746 114.554 -0.075 0.000 2.720 90 T HA 0.009 4.357 4.350 -0.005 0.000 0.268 90 T C 1.976 176.487 174.700 -0.316 0.000 1.037 90 T CA 1.652 63.620 62.100 -0.220 0.000 1.144 90 T CB -0.425 68.546 68.868 0.172 0.000 0.864 90 T HN 0.388 nan 8.240 nan 0.000 0.444 91 M N 0.264 119.748 119.600 -0.194 0.000 2.175 91 M HA 0.043 4.520 4.480 -0.005 0.000 0.264 91 M C 2.158 178.322 176.300 -0.225 0.000 1.063 91 M CA 1.364 56.542 55.300 -0.203 0.000 1.119 91 M CB -0.493 32.000 32.600 -0.178 0.000 1.377 91 M HN 0.205 nan 8.290 nan 0.000 0.415 92 L N -0.876 120.220 121.223 -0.212 0.000 2.109 92 L HA -0.131 4.206 4.340 -0.005 0.000 0.207 92 L C 2.419 179.146 176.870 -0.239 0.000 1.086 92 L CA 0.606 55.336 54.840 -0.183 0.000 0.760 92 L CB -0.662 41.332 42.059 -0.109 0.000 0.910 92 L HN 0.085 nan 8.230 nan 0.000 0.437 93 V N 0.423 120.109 119.914 -0.380 0.000 2.343 93 V HA -0.218 3.899 4.120 -0.005 0.000 0.247 93 V C 2.668 178.583 176.094 -0.298 0.000 1.051 93 V CA 2.056 64.105 62.300 -0.417 0.000 1.036 93 V CB -1.286 30.023 31.823 -0.857 0.000 0.654 93 V HN 0.571 nan 8.190 nan 0.000 0.451 94 G N -0.296 108.317 108.800 -0.310 0.000 2.469 94 G HA2 -0.281 3.676 3.960 -0.005 0.000 0.220 94 G HA3 -0.281 3.676 3.960 -0.005 0.000 0.220 94 G C 1.251 176.069 174.900 -0.137 0.000 1.136 94 G CA 1.147 46.139 45.100 -0.180 0.000 0.759 94 G HN 0.516 nan 8.290 nan 0.000 0.562 95 D N 0.481 120.767 120.400 -0.191 0.000 2.144 95 D HA -0.045 4.592 4.640 -0.005 0.000 0.200 95 D C 2.550 178.710 176.300 -0.234 0.000 0.978 95 D CA 0.421 54.291 54.000 -0.216 0.000 0.833 95 D CB -0.107 40.554 40.800 -0.231 0.000 0.961 95 D HN 0.374 nan 8.370 nan 0.000 0.470 96 I N 0.862 121.299 120.570 -0.222 0.000 2.179 96 I HA -0.232 3.935 4.170 -0.005 0.000 0.242 96 I C 2.381 178.330 176.117 -0.281 0.000 1.088 96 I CA 0.776 61.916 61.300 -0.266 0.000 1.357 96 I CB -0.122 37.794 38.000 -0.139 0.000 1.051 96 I HN -0.042 nan 8.210 nan 0.000 0.409 97 L N -0.707 120.469 121.223 -0.077 0.000 2.353 97 L HA -0.235 4.102 4.340 -0.005 0.000 0.220 97 L C 2.520 179.402 176.870 0.021 0.000 1.133 97 L CA 1.053 55.946 54.840 0.089 0.000 0.798 97 L CB -0.736 41.398 42.059 0.125 0.000 0.922 97 L HN 0.327 nan 8.230 nan 0.000 0.445 98 Y N 1.950 122.136 120.300 -0.191 0.000 2.315 98 Y HA -0.268 4.279 4.550 -0.005 0.000 0.288 98 Y C 2.743 178.522 175.900 -0.201 0.000 1.154 98 Y CA 1.562 59.561 58.100 -0.168 0.000 1.229 98 Y CB -0.160 38.177 38.460 -0.204 0.000 0.980 98 Y HN 0.195 nan 8.280 nan 0.000 0.540 99 R N -1.533 118.775 120.500 -0.321 0.000 2.285 99 R HA -0.146 4.191 4.340 -0.005 0.000 0.213 99 R C 1.042 177.119 176.300 -0.372 0.000 1.068 99 R CA 1.445 57.291 56.100 -0.424 0.000 1.004 99 R CB -0.603 29.300 30.300 -0.662 0.000 0.873 99 R HN 0.397 nan 8.270 nan 0.000 0.467 100 W N -0.287 120.966 121.300 -0.078 0.000 3.283 100 W HA 0.313 4.969 4.660 -0.006 0.000 0.235 100 W C 0.155 176.624 176.519 -0.084 0.000 1.123 100 W CA -0.457 56.855 57.345 -0.055 0.000 1.534 100 W CB 0.157 29.604 29.460 -0.023 0.000 0.839 100 W HN 0.014 nan 8.180 nan 0.000 0.734 101 N N 0.465 119.230 118.700 0.108 0.000 2.685 101 N HA 0.208 4.945 4.740 -0.005 0.000 0.252 101 N C -2.423 173.061 175.510 -0.044 0.000 1.261 101 N CA -1.423 51.649 53.050 0.037 0.000 0.768 101 N CB 1.548 40.092 38.487 0.096 0.000 1.304 101 N HN -0.333 nan 8.380 nan 0.000 0.536 102 P HA -0.090 nan 4.420 nan 0.000 0.221 102 P C 1.524 178.848 177.300 0.040 0.000 1.145 102 P CA 0.455 63.416 63.100 -0.232 0.000 0.795 102 P CB 0.538 31.997 31.700 -0.402 0.000 0.775 103 L N -0.998 120.250 121.223 0.041 0.000 2.095 103 L HA -0.014 4.323 4.340 -0.005 0.000 0.204 103 L C 2.072 179.006 176.870 0.106 0.000 1.080 103 L CA 1.657 56.550 54.840 0.088 0.000 0.759 103 L CB -1.116 40.984 42.059 0.067 0.000 0.914 103 L HN -0.146 nan 8.230 nan 0.000 0.439 104 I N -0.060 120.564 120.570 0.090 0.000 2.394 104 I HA -0.236 3.931 4.170 -0.005 0.000 0.251 104 I C 2.562 178.737 176.117 0.098 0.000 1.136 104 I CA 1.017 62.375 61.300 0.097 0.000 1.425 104 I CB -0.562 37.493 38.000 0.093 0.000 1.079 104 I HN 0.381 nan 8.210 nan 0.000 0.425 105 A N 0.466 123.348 122.820 0.103 0.000 1.902 105 A HA -0.264 4.053 4.320 -0.005 0.000 0.217 105 A C 2.297 179.927 177.584 0.077 0.000 1.181 105 A CA 1.939 54.032 52.037 0.093 0.000 0.623 105 A CB -0.583 18.528 19.000 0.185 0.000 0.818 105 A HN 0.503 nan 8.150 nan 0.000 0.443 106 E N -0.210 120.074 120.200 0.141 0.000 2.150 106 E HA -0.099 4.248 4.350 -0.005 0.000 0.193 106 E C 1.725 178.461 176.600 0.226 0.000 0.985 106 E CA 1.176 57.666 56.400 0.151 0.000 0.814 106 E CB -0.108 29.753 29.700 0.269 0.000 0.752 106 E HN 0.304 nan 8.360 nan 0.000 0.466 107 V N 1.232 121.269 119.914 0.204 0.000 2.295 107 V HA -0.262 3.855 4.120 -0.005 0.000 0.246 107 V C 2.444 178.636 176.094 0.164 0.000 1.049 107 V CA 1.538 63.963 62.300 0.209 0.000 1.024 107 V CB -0.450 31.464 31.823 0.152 0.000 0.648 107 V HN 0.364 nan 8.190 nan 0.000 0.447 108 L N -0.776 120.503 121.223 0.095 0.000 2.083 108 L HA -0.177 4.160 4.340 -0.005 0.000 0.209 108 L C 2.359 179.217 176.870 -0.021 0.000 1.083 108 L CA 1.621 56.487 54.840 0.043 0.000 0.752 108 L CB -0.456 41.587 42.059 -0.026 0.000 0.899 108 L HN 0.277 nan 8.230 nan 0.000 0.433 109 I N -1.569 118.946 120.570 -0.092 0.000 2.252 109 I HA -0.288 3.880 4.170 -0.005 0.000 0.245 109 I C 2.240 178.199 176.117 -0.263 0.000 1.102 109 I CA 1.731 62.881 61.300 -0.249 0.000 1.385 109 I CB -0.263 37.502 38.000 -0.391 0.000 1.064 109 I HN 0.283 nan 8.210 nan 0.000 0.414 110 W N 0.713 121.975 121.300 -0.062 0.000 2.381 110 W HA -0.097 4.560 4.660 -0.004 0.000 0.301 110 W C 2.432 178.930 176.519 -0.035 0.000 1.205 110 W CA 0.510 57.816 57.345 -0.065 0.000 1.285 110 W CB -0.334 29.099 29.460 -0.045 0.000 1.133 110 W HN -0.009 nan 8.180 nan 0.000 0.521 111 I N 0.376 121.079 120.570 0.221 0.000 2.151 111 I HA -0.285 3.883 4.170 -0.005 0.000 0.243 111 I C 2.664 178.837 176.117 0.094 0.000 1.080 111 I CA 1.801 63.188 61.300 0.146 0.000 1.339 111 I CB -1.100 36.981 38.000 0.136 0.000 1.039 111 I HN 0.104 nan 8.210 nan 0.000 0.409 112 G N -0.621 108.203 108.800 0.041 0.000 2.408 112 G HA2 -0.188 3.770 3.960 -0.005 0.000 0.217 112 G HA3 -0.188 3.770 3.960 -0.005 0.000 0.217 112 G C 1.646 176.528 174.900 -0.029 0.000 1.150 112 G CA 1.264 46.359 45.100 -0.007 0.000 0.776 112 G HN 0.289 nan 8.290 nan 0.000 0.542 113 T N 1.335 115.852 114.554 -0.062 0.000 2.732 113 T HA -0.010 4.337 4.350 -0.005 0.000 0.261 113 T C 2.423 177.167 174.700 0.073 0.000 1.040 113 T CA 0.915 62.959 62.100 -0.094 0.000 1.145 113 T CB -0.174 68.526 68.868 -0.280 0.000 0.866 113 T HN 0.226 nan 8.240 nan 0.000 0.427 114 I N 1.367 122.024 120.570 0.146 0.000 2.151 114 I HA -0.163 4.005 4.170 -0.005 0.000 0.243 114 I C 2.873 179.066 176.117 0.127 0.000 1.080 114 I CA 1.433 62.829 61.300 0.160 0.000 1.339 114 I CB -0.826 37.266 38.000 0.154 0.000 1.039 114 I HN 0.322 nan 8.210 nan 0.000 0.409 115 G N 0.969 109.831 108.800 0.103 0.000 2.446 115 G HA2 -0.329 3.628 3.960 -0.005 0.000 0.217 115 G HA3 -0.329 3.628 3.960 -0.005 0.000 0.217 115 G C 1.519 176.498 174.900 0.131 0.000 1.168 115 G CA 1.196 46.354 45.100 0.097 0.000 0.771 115 G HN 0.549 nan 8.290 nan 0.000 0.551 116 Q N -0.191 119.670 119.800 0.102 0.000 2.119 116 Q HA 0.083 4.421 4.340 -0.005 0.000 0.201 116 Q C 2.287 178.401 176.000 0.191 0.000 0.972 116 Q CA 1.184 57.073 55.803 0.143 0.000 0.847 116 Q CB -0.687 28.092 28.738 0.067 0.000 0.903 116 Q HN 0.330 nan 8.270 nan 0.000 0.433 117 L N -0.061 121.263 121.223 0.169 0.000 2.017 117 L HA -0.037 4.301 4.340 -0.005 0.000 0.208 117 L C 2.108 179.043 176.870 0.108 0.000 1.073 117 L CA 1.571 56.505 54.840 0.156 0.000 0.745 117 L CB -0.954 41.233 42.059 0.212 0.000 0.894 117 L HN 0.459 nan 8.230 nan 0.000 0.432 118 L N -1.515 119.785 121.223 0.128 0.000 2.046 118 L HA -0.208 4.129 4.340 -0.005 0.000 0.208 118 L C 2.319 179.266 176.870 0.128 0.000 1.077 118 L CA 1.669 56.573 54.840 0.107 0.000 0.747 118 L CB -0.883 41.246 42.059 0.116 0.000 0.896 118 L HN 0.318 nan 8.230 nan 0.000 0.432 119 F N -0.202 119.775 119.950 0.044 0.000 2.046 119 F HA -0.242 4.282 4.527 -0.004 0.000 0.297 119 F C 2.561 178.374 175.800 0.022 0.000 1.123 119 F CA 2.066 60.105 58.000 0.065 0.000 1.199 119 F CB -0.724 38.316 39.000 0.066 0.000 0.972 119 F HN 0.078 nan 8.300 nan 0.000 0.474 120 S N -0.725 114.918 115.700 -0.094 0.000 2.402 120 S HA -0.160 4.308 4.470 -0.005 0.000 0.229 120 S C 1.928 176.366 174.600 -0.271 0.000 1.021 120 S CA 1.581 59.636 58.200 -0.241 0.000 0.974 120 S CB -0.538 62.598 63.200 -0.106 0.000 0.800 120 S HN 0.488 nan 8.310 nan 0.000 0.484 121 T N 2.556 117.009 114.554 -0.167 0.000 2.821 121 T HA 0.084 4.432 4.350 -0.005 0.000 0.267 121 T C 1.687 176.268 174.700 -0.198 0.000 1.046 121 T CA 0.814 62.810 62.100 -0.173 0.000 1.139 121 T CB -0.246 68.568 68.868 -0.090 0.000 0.871 121 T HN 0.256 nan 8.240 nan 0.000 0.454 122 L N -0.070 121.051 121.223 -0.169 0.000 2.044 122 L HA 0.055 4.392 4.340 -0.005 0.000 0.205 122 L C 2.794 179.515 176.870 -0.249 0.000 1.075 122 L CA 1.172 55.931 54.840 -0.134 0.000 0.747 122 L CB -0.223 41.828 42.059 -0.014 0.000 0.903 122 L HN 0.069 nan 8.230 nan 0.000 0.435 123 R N -0.679 119.551 120.500 -0.451 0.000 2.123 123 R HA 0.028 4.365 4.340 -0.005 0.000 0.209 123 R C 1.966 177.833 176.300 -0.722 0.000 1.078 123 R CA 0.744 56.434 56.100 -0.685 0.000 1.028 123 R CB -0.366 29.263 30.300 -1.119 0.000 0.939 123 R HN -0.005 nan 8.270 nan 0.000 0.463 124 V N 1.091 120.635 119.914 -0.617 0.000 2.427 124 V HA -0.206 3.911 4.120 -0.005 0.000 0.248 124 V C 2.141 177.873 176.094 -0.604 0.000 1.051 124 V CA 2.027 64.029 62.300 -0.496 0.000 1.048 124 V CB -0.517 31.087 31.823 -0.364 0.000 0.666 124 V HN 0.573 nan 8.190 nan 0.000 0.456 125 S N -0.107 115.204 115.700 -0.647 0.000 2.423 125 S HA -0.246 4.221 4.470 -0.005 0.000 0.231 125 S C 1.892 176.134 174.600 -0.597 0.000 1.014 125 S CA 1.602 59.288 58.200 -0.858 0.000 0.965 125 S CB -0.429 62.416 63.200 -0.590 0.000 0.785 125 S HN 0.734 nan 8.310 nan 0.000 0.495 126 E N 1.215 121.172 120.200 -0.404 0.000 2.204 126 E HA -0.027 4.321 4.350 -0.005 0.000 0.194 126 E C 1.859 178.358 176.600 -0.168 0.000 0.989 126 E CA 0.687 56.946 56.400 -0.236 0.000 0.824 126 E CB -0.284 29.287 29.700 -0.215 0.000 0.756 126 E HN 0.617 nan 8.360 nan 0.000 0.477 127 L N -0.172 120.913 121.223 -0.229 0.000 2.127 127 L HA -0.182 4.156 4.340 -0.005 0.000 0.211 127 L C 1.880 178.806 176.870 0.093 0.000 1.089 127 L CA 0.790 55.579 54.840 -0.085 0.000 0.757 127 L CB -0.531 41.453 42.059 -0.126 0.000 0.899 127 L HN 0.340 nan 8.230 nan 0.000 0.434 128 W N 0.634 121.860 121.300 -0.124 0.000 2.721 128 W HA -0.076 4.581 4.660 -0.005 0.000 0.245 128 W C 2.301 178.777 176.519 -0.071 0.000 1.276 128 W CA 0.174 57.458 57.345 -0.101 0.000 1.342 128 W CB -0.947 28.462 29.460 -0.086 0.000 1.135 128 W HN 0.359 nan 8.180 nan 0.000 0.654 129 Q N -0.059 119.822 119.800 0.135 0.000 2.435 129 Q HA 0.236 4.574 4.340 -0.005 0.000 0.207 129 Q C 1.362 177.394 176.000 0.053 0.000 0.956 129 Q CA 0.787 56.633 55.803 0.071 0.000 0.917 129 Q CB -0.152 28.603 28.738 0.028 0.000 0.997 129 Q HN 0.130 nan 8.270 nan 0.000 0.497 130 G N -0.692 108.146 108.800 0.064 0.000 2.814 130 G HA2 -0.078 3.880 3.960 -0.005 0.000 0.677 130 G HA3 -0.078 3.880 3.960 -0.005 0.000 0.677 130 G C 0.523 175.453 174.900 0.049 0.000 1.429 130 G CA -0.398 44.735 45.100 0.055 0.000 0.868 130 G HN 0.663 nan 8.290 nan 0.000 0.553 131 G N -2.665 106.167 108.800 0.053 0.000 2.184 131 G HA2 -0.071 3.887 3.960 -0.005 0.000 0.264 131 G HA3 -0.071 3.887 3.960 -0.005 0.000 0.264 131 G C 1.176 176.098 174.900 0.037 0.000 0.975 131 G CA 1.652 46.775 45.100 0.037 0.000 0.642 131 G HN 1.935 nan 8.290 nan 0.000 0.536 132 V N -0.588 119.363 119.914 0.061 0.000 2.950 132 V HA 0.454 4.572 4.120 -0.005 0.000 0.231 132 V C 1.233 177.373 176.094 0.077 0.000 1.205 132 V CA 0.591 62.921 62.300 0.049 0.000 1.239 132 V CB -0.410 31.431 31.823 0.030 0.000 1.050 132 V HN 0.344 nan 8.190 nan 0.000 0.498 133 F N 2.302 122.230 119.950 -0.037 0.000 2.607 133 F HA 0.181 4.705 4.527 -0.005 0.000 0.374 133 F C 0.595 176.364 175.800 -0.052 0.000 1.104 133 F CA 0.589 58.561 58.000 -0.047 0.000 1.296 133 F CB 0.285 39.260 39.000 -0.042 0.000 1.085 133 F HN 0.232 nan 8.300 nan 0.000 0.584 134 E N 2.944 122.933 120.200 -0.350 0.000 2.339 134 E HA 0.101 4.448 4.350 -0.005 0.000 0.262 134 E C 0.160 176.562 176.600 -0.330 0.000 0.934 134 E CA -0.889 55.394 56.400 -0.196 0.000 0.802 134 E CB 1.478 31.077 29.700 -0.169 0.000 1.275 134 E HN 0.577 nan 8.360 nan 0.000 0.427 135 Q N 1.703 121.424 119.800 -0.131 0.000 2.077 135 Q HA -0.235 4.103 4.340 -0.005 0.000 0.206 135 Q C 1.667 177.443 176.000 -0.373 0.000 0.989 135 Q CA 2.292 58.007 55.803 -0.147 0.000 0.853 135 Q CB -0.168 28.566 28.738 -0.007 0.000 0.907 135 Q HN 0.499 nan 8.270 nan 0.000 0.418 136 K N -1.051 119.217 120.400 -0.219 0.000 2.574 136 K HA 0.063 4.381 4.320 -0.005 0.000 0.193 136 K C 1.286 177.652 176.600 -0.390 0.000 1.035 136 K CA 1.123 57.322 56.287 -0.147 0.000 0.982 136 K CB 0.052 32.559 32.500 0.010 0.000 0.795 136 K HN -0.029 nan 8.250 nan 0.000 0.491 137 S N 0.914 116.190 115.700 -0.708 0.000 2.562 137 S HA -0.016 4.451 4.470 -0.005 0.000 0.221 137 S C 0.222 174.330 174.600 -0.820 0.000 0.975 137 S CA 0.387 57.971 58.200 -1.028 0.000 0.918 137 S CB 0.097 62.299 63.200 -1.662 0.000 0.772 137 S HN 0.339 nan 8.310 nan 0.000 0.531 138 T N 3.136 117.369 114.554 -0.535 0.000 3.842 138 T HA 0.143 4.491 4.350 -0.005 0.000 0.267 138 T C -0.133 174.682 174.700 0.193 0.000 1.173 138 T CA 0.211 62.251 62.100 -0.101 0.000 1.142 138 T CB -0.483 68.199 68.868 -0.310 0.000 1.191 138 T HN 0.440 nan 8.240 nan 0.000 0.895 139 H N 1.844 120.951 119.070 0.061 0.000 2.533 139 H HA 0.192 4.746 4.556 -0.004 0.000 0.343 139 H C -1.620 173.814 175.328 0.178 0.000 1.160 139 H CA -2.879 53.222 56.048 0.090 0.000 1.218 139 H CB 2.022 31.762 29.762 -0.036 0.000 1.566 139 H HN 0.086 nan 8.280 nan 0.000 0.522 140 P HA -0.183 nan 4.420 nan 0.000 0.221 140 P C 1.345 178.758 177.300 0.188 0.000 1.145 140 P CA 1.311 64.559 63.100 0.248 0.000 0.795 140 P CB 0.148 32.024 31.700 0.294 0.000 0.775 141 S N -1.661 114.098 115.700 0.099 0.000 2.474 141 S HA -0.159 4.309 4.470 -0.005 0.000 0.235 141 S C 1.712 176.161 174.600 -0.251 0.000 0.997 141 S CA 0.401 58.502 58.200 -0.165 0.000 0.949 141 S CB -1.704 61.161 63.200 -0.559 0.000 0.766 141 S HN 0.106 nan 8.310 nan 0.000 0.517 142 F N 1.556 121.301 119.950 -0.342 0.000 2.451 142 F HA 0.034 4.558 4.527 -0.005 0.000 0.299 142 F C 1.601 177.133 175.800 -0.446 0.000 1.101 142 F CA 0.574 58.275 58.000 -0.500 0.000 1.436 142 F CB -0.328 38.275 39.000 -0.662 0.000 1.074 142 F HN 0.089 nan 8.300 nan 0.000 0.553 143 Y N 0.263 120.482 120.300 -0.135 0.000 2.403 143 Y HA -0.176 4.371 4.550 -0.005 0.000 0.291 143 Y C 2.085 177.869 175.900 -0.192 0.000 1.143 143 Y CA 0.979 59.024 58.100 -0.092 0.000 1.257 143 Y CB -0.781 37.734 38.460 0.093 0.000 0.984 143 Y HN 0.114 nan 8.280 nan 0.000 0.550 144 L N 0.438 121.609 121.223 -0.086 0.000 1.988 144 L HA -0.140 4.198 4.340 -0.005 0.000 0.207 144 L C -0.073 176.714 176.870 -0.138 0.000 1.071 144 L CA 1.224 56.006 54.840 -0.097 0.000 0.744 144 L CB -1.892 40.084 42.059 -0.138 0.000 0.893 144 L HN 0.104 nan 8.230 nan 0.000 0.433 145 P HA -0.131 nan 4.420 nan 0.000 0.219 145 P C 1.178 178.370 177.300 -0.178 0.000 1.150 145 P CA 1.857 64.898 63.100 -0.098 0.000 0.814 145 P CB 0.137 31.815 31.700 -0.038 0.000 0.787 146 A N -0.711 121.904 122.820 -0.342 0.000 1.903 146 A HA 0.073 4.390 4.320 -0.005 0.000 0.213 146 A C 2.220 179.680 177.584 -0.206 0.000 1.185 146 A CA 1.452 53.287 52.037 -0.336 0.000 0.628 146 A CB -0.841 17.813 19.000 -0.577 0.000 0.830 146 A HN 0.081 nan 8.150 nan 0.000 0.446 147 V N -1.668 118.138 119.914 -0.180 0.000 2.950 147 V HA 0.185 4.302 4.120 -0.005 0.000 0.231 147 V C 2.753 178.639 176.094 -0.346 0.000 1.205 147 V CA 0.877 63.010 62.300 -0.277 0.000 1.239 147 V CB -0.760 31.031 31.823 -0.053 0.000 1.050 147 V HN 0.451 nan 8.190 nan 0.000 0.498 148 A N 0.531 123.291 122.820 -0.100 0.000 1.902 148 A HA -0.063 4.255 4.320 -0.005 0.000 0.217 148 A C 2.341 179.928 177.584 0.004 0.000 1.181 148 A CA 2.190 54.241 52.037 0.024 0.000 0.623 148 A CB -0.817 18.218 19.000 0.058 0.000 0.818 148 A HN 0.601 nan 8.150 nan 0.000 0.443 149 A N 0.498 123.296 122.820 -0.038 0.000 1.892 149 A HA -0.253 4.064 4.320 -0.005 0.000 0.218 149 A C 1.978 179.556 177.584 -0.010 0.000 1.188 149 A CA 1.939 53.964 52.037 -0.020 0.000 0.631 149 A CB -0.678 18.318 19.000 -0.007 0.000 0.822 149 A HN 0.575 nan 8.150 nan 0.000 0.447 150 N N -0.819 117.855 118.700 -0.044 0.000 2.142 150 N HA -0.097 4.640 4.740 -0.005 0.000 0.186 150 N C 1.397 176.967 175.510 0.099 0.000 1.023 150 N CA 1.313 54.384 53.050 0.035 0.000 0.852 150 N CB -0.549 37.913 38.487 -0.040 0.000 0.998 150 N HN 0.432 nan 8.380 nan 0.000 0.424 151 F N 1.761 121.755 119.950 0.073 0.000 2.202 151 F HA -0.090 4.434 4.527 -0.004 0.000 0.301 151 F C 2.494 178.313 175.800 0.033 0.000 1.082 151 F CA 0.845 58.898 58.000 0.087 0.000 1.313 151 F CB -1.256 37.779 39.000 0.059 0.000 1.024 151 F HN 0.027 nan 8.300 nan 0.000 0.495 152 T N -1.529 113.121 114.554 0.159 0.000 2.812 152 T HA -0.115 4.232 4.350 -0.005 0.000 0.264 152 T C 2.301 176.940 174.700 -0.102 0.000 1.042 152 T CA 1.414 63.528 62.100 0.023 0.000 1.140 152 T CB -0.447 68.418 68.868 -0.004 0.000 0.870 152 T HN 0.130 nan 8.240 nan 0.000 0.445 153 S N 1.495 117.093 115.700 -0.171 0.000 2.370 153 S HA -0.065 4.402 4.470 -0.005 0.000 0.226 153 S C 2.571 176.941 174.600 -0.383 0.000 1.033 153 S CA 1.042 58.987 58.200 -0.425 0.000 1.011 153 S CB -0.570 62.166 63.200 -0.774 0.000 0.852 153 S HN 0.599 nan 8.310 nan 0.000 0.457 154 A N 1.437 124.189 122.820 -0.114 0.000 1.858 154 A HA -0.088 4.229 4.320 -0.005 0.000 0.216 154 A C 2.353 179.874 177.584 -0.104 0.000 1.190 154 A CA 1.978 54.021 52.037 0.011 0.000 0.617 154 A CB -1.016 18.158 19.000 0.291 0.000 0.827 154 A HN 0.473 nan 8.150 nan 0.000 0.443 155 S N 0.333 115.990 115.700 -0.072 0.000 2.356 155 S HA -0.128 4.339 4.470 -0.005 0.000 0.223 155 S C 2.217 176.684 174.600 -0.222 0.000 1.032 155 S CA 1.555 59.673 58.200 -0.136 0.000 1.005 155 S CB -0.398 62.761 63.200 -0.069 0.000 0.867 155 S HN 0.598 nan 8.310 nan 0.000 0.449 156 S N 1.491 117.045 115.700 -0.244 0.000 2.402 156 S HA 0.123 4.590 4.470 -0.005 0.000 0.229 156 S C 1.704 176.075 174.600 -0.382 0.000 1.021 156 S CA 0.736 58.747 58.200 -0.315 0.000 0.974 156 S CB -0.291 62.717 63.200 -0.320 0.000 0.800 156 S HN 0.359 nan 8.310 nan 0.000 0.484 157 L N 0.684 121.673 121.223 -0.389 0.000 2.270 157 L HA 0.095 4.432 4.340 -0.005 0.000 0.210 157 L C 2.688 179.409 176.870 -0.248 0.000 1.104 157 L CA 0.703 55.327 54.840 -0.359 0.000 0.804 157 L CB -0.597 41.220 42.059 -0.404 0.000 0.937 157 L HN 0.285 nan 8.230 nan 0.000 0.450 158 A N 0.493 123.098 122.820 -0.358 0.000 1.902 158 A HA -0.242 4.075 4.320 -0.005 0.000 0.217 158 A C 2.214 179.476 177.584 -0.537 0.000 1.181 158 A CA 1.641 53.317 52.037 -0.602 0.000 0.623 158 A CB -0.699 17.974 19.000 -0.545 0.000 0.818 158 A HN 0.319 nan 8.150 nan 0.000 0.443 159 L N -0.348 120.629 121.223 -0.409 0.000 2.127 159 L HA -0.087 4.250 4.340 -0.005 0.000 0.211 159 L C 1.835 178.421 176.870 -0.473 0.000 1.089 159 L CA 1.642 56.214 54.840 -0.446 0.000 0.757 159 L CB -0.292 41.451 42.059 -0.527 0.000 0.899 159 L HN 0.406 nan 8.230 nan 0.000 0.434 160 L N -0.860 120.161 121.223 -0.338 0.000 2.612 160 L HA 0.278 4.615 4.340 -0.005 0.000 0.230 160 L C 1.497 178.240 176.870 -0.211 0.000 1.140 160 L CA 0.498 55.242 54.840 -0.160 0.000 0.896 160 L CB -0.652 41.451 42.059 0.073 0.000 1.065 160 L HN 0.495 nan 8.230 nan 0.000 0.447 161 G N -0.847 107.786 108.800 -0.279 0.000 2.157 161 G HA2 -0.316 3.641 3.960 -0.005 0.000 0.239 161 G HA3 -0.316 3.641 3.960 -0.005 0.000 0.239 161 G C -0.080 174.618 174.900 -0.337 0.000 0.982 161 G CA -0.412 44.523 45.100 -0.275 0.000 0.650 161 G HN 0.351 nan 8.290 nan 0.000 0.527 162 Y N 1.118 121.327 120.300 -0.153 0.000 2.821 162 Y HA 0.549 5.096 4.550 -0.005 0.000 0.331 162 Y C 1.571 177.411 175.900 -0.101 0.000 1.251 162 Y CA -0.432 57.646 58.100 -0.038 0.000 1.494 162 Y CB 0.156 38.631 38.460 0.024 0.000 1.493 162 Y HN 0.309 nan 8.280 nan 0.000 0.496 163 H N -0.494 118.631 119.070 0.092 0.000 2.363 163 H HA -0.111 4.442 4.556 -0.005 0.000 0.301 163 H C 1.311 176.717 175.328 0.130 0.000 1.074 163 H CA 1.838 57.890 56.048 0.005 0.000 1.354 163 H CB 0.363 30.105 29.762 -0.032 0.000 1.397 163 H HN 0.477 nan 8.280 nan 0.000 0.516 164 D N 0.300 120.907 120.400 0.345 0.000 2.117 164 D HA -0.124 4.513 4.640 -0.005 0.000 0.197 164 D C 2.243 178.737 176.300 0.323 0.000 0.987 164 D CA 0.610 54.824 54.000 0.356 0.000 0.829 164 D CB -0.279 40.677 40.800 0.261 0.000 0.961 164 D HN 0.274 nan 8.370 nan 0.000 0.460 165 L N 0.619 122.019 121.223 0.296 0.000 2.083 165 L HA -0.110 4.227 4.340 -0.005 0.000 0.209 165 L C 2.433 179.515 176.870 0.353 0.000 1.083 165 L CA 1.372 56.400 54.840 0.313 0.000 0.752 165 L CB -0.596 41.645 42.059 0.304 0.000 0.899 165 L HN 0.107 nan 8.230 nan 0.000 0.433 166 G N -1.327 107.597 108.800 0.206 0.000 2.442 166 G HA2 -0.306 3.651 3.960 -0.005 0.000 0.219 166 G HA3 -0.306 3.651 3.960 -0.005 0.000 0.219 166 G C 1.347 176.369 174.900 0.204 0.000 1.141 166 G CA 0.635 45.796 45.100 0.102 0.000 0.763 166 G HN 0.350 nan 8.290 nan 0.000 0.554 167 Y N 0.349 120.787 120.300 0.231 0.000 2.314 167 Y HA 0.073 4.620 4.550 -0.004 0.000 0.293 167 Y C 2.787 178.871 175.900 0.306 0.000 1.129 167 Y CA 0.282 58.541 58.100 0.266 0.000 1.201 167 Y CB 0.017 38.587 38.460 0.182 0.000 0.999 167 Y HN 0.069 nan 8.280 nan 0.000 0.541 168 L N -1.516 119.935 121.223 0.380 0.000 1.989 168 L HA -0.261 4.076 4.340 -0.005 0.000 0.211 168 L C 2.025 178.980 176.870 0.143 0.000 1.071 168 L CA 1.559 56.512 54.840 0.188 0.000 0.749 168 L CB -0.814 41.265 42.059 0.034 0.000 0.890 168 L HN 0.201 nan 8.230 nan 0.000 0.431 169 F N -0.888 119.165 119.950 0.172 0.000 2.234 169 F HA -0.232 4.292 4.527 -0.004 0.000 0.299 169 F C 2.355 178.261 175.800 0.176 0.000 1.087 169 F CA 1.320 59.393 58.000 0.122 0.000 1.340 169 F CB -0.517 38.531 39.000 0.079 0.000 1.031 169 F HN -0.046 nan 8.300 nan 0.000 0.500 170 F N 0.874 121.036 119.950 0.354 0.000 2.102 170 F HA -0.067 4.457 4.527 -0.005 0.000 0.298 170 F C 2.400 178.431 175.800 0.384 0.000 1.105 170 F CA 1.751 60.002 58.000 0.418 0.000 1.239 170 F CB -1.024 38.201 39.000 0.376 0.000 0.991 170 F HN -0.069 nan 8.300 nan 0.000 0.474 171 G N -0.249 108.753 108.800 0.337 0.000 2.440 171 G HA2 -0.254 3.703 3.960 -0.005 0.000 0.218 171 G HA3 -0.254 3.703 3.960 -0.005 0.000 0.218 171 G C 1.822 176.738 174.900 0.028 0.000 1.154 171 G CA 0.921 46.120 45.100 0.165 0.000 0.767 171 G HN 0.645 nan 8.290 nan 0.000 0.552 172 A N 0.855 123.686 122.820 0.018 0.000 1.902 172 A HA 0.135 4.452 4.320 -0.005 0.000 0.217 172 A C 2.712 180.223 177.584 -0.121 0.000 1.181 172 A CA 2.191 54.201 52.037 -0.044 0.000 0.623 172 A CB -1.094 17.863 19.000 -0.073 0.000 0.818 172 A HN 0.538 nan 8.150 nan 0.000 0.443 173 G N -0.858 107.786 108.800 -0.260 0.000 2.404 173 G HA2 -0.222 3.735 3.960 -0.005 0.000 0.215 173 G HA3 -0.222 3.735 3.960 -0.005 0.000 0.215 173 G C 1.687 176.337 174.900 -0.416 0.000 1.174 173 G CA 1.208 45.897 45.100 -0.686 0.000 0.780 173 G HN 0.486 nan 8.290 nan 0.000 0.537 174 M N -0.025 119.492 119.600 -0.138 0.000 2.086 174 M HA 0.061 4.538 4.480 -0.005 0.000 0.261 174 M C 2.465 178.860 176.300 0.158 0.000 1.067 174 M CA 1.451 56.871 55.300 0.201 0.000 1.116 174 M CB -0.173 32.384 32.600 -0.071 0.000 1.348 174 M HN 0.225 nan 8.290 nan 0.000 0.407 175 I N 0.178 120.774 120.570 0.043 0.000 2.439 175 I HA -0.185 3.982 4.170 -0.005 0.000 0.251 175 I C 2.579 178.739 176.117 0.072 0.000 1.139 175 I CA 0.895 62.214 61.300 0.032 0.000 1.438 175 I CB -0.628 37.384 38.000 0.020 0.000 1.085 175 I HN 0.368 nan 8.210 nan 0.000 0.427 176 A N 0.651 123.524 122.820 0.088 0.000 1.933 176 A HA -0.256 4.061 4.320 -0.005 0.000 0.218 176 A C 2.092 179.862 177.584 0.311 0.000 1.175 176 A CA 1.472 53.599 52.037 0.150 0.000 0.628 176 A CB -1.023 18.015 19.000 0.062 0.000 0.814 176 A HN 0.676 nan 8.150 nan 0.000 0.444 177 W N 1.895 123.270 121.300 0.124 0.000 2.354 177 W HA -0.210 4.447 4.660 -0.004 0.000 0.315 177 W C 1.857 178.528 176.519 0.254 0.000 1.206 177 W CA 1.964 59.464 57.345 0.258 0.000 1.290 177 W CB -0.754 28.807 29.460 0.168 0.000 1.152 177 W HN 0.462 nan 8.180 nan 0.000 0.489 178 I N -1.254 119.163 120.570 -0.255 0.000 2.756 178 I HA -0.107 4.060 4.170 -0.005 0.000 0.262 178 I C 2.028 178.049 176.117 -0.159 0.000 1.225 178 I CA 1.460 62.454 61.300 -0.510 0.000 1.472 178 I CB -0.718 36.942 38.000 -0.566 0.000 1.094 178 I HN 0.029 nan 8.210 nan 0.000 0.454 179 I N -0.067 120.515 120.570 0.021 0.000 2.716 179 I HA -0.111 4.056 4.170 -0.005 0.000 0.259 179 I C 2.178 178.402 176.117 0.180 0.000 1.172 179 I CA 0.901 62.246 61.300 0.075 0.000 1.478 179 I CB -0.073 37.984 38.000 0.096 0.000 1.104 179 I HN 0.260 nan 8.210 nan 0.000 0.439 180 F N 1.434 121.473 119.950 0.148 0.000 2.262 180 F HA -0.030 4.495 4.527 -0.005 0.000 0.292 180 F C 2.350 178.241 175.800 0.152 0.000 1.081 180 F CA 1.179 59.279 58.000 0.168 0.000 1.355 180 F CB -0.179 39.015 39.000 0.324 0.000 1.069 180 F HN -0.054 nan 8.300 nan 0.000 0.506 181 E N 0.446 120.721 120.200 0.125 0.000 2.147 181 E HA -0.218 4.129 4.350 -0.005 0.000 0.199 181 E C -0.760 175.778 176.600 -0.103 0.000 1.005 181 E CA 1.684 58.124 56.400 0.068 0.000 0.810 181 E CB -0.928 28.972 29.700 0.332 0.000 0.736 181 E HN 0.282 nan 8.360 nan 0.000 0.460 182 P HA -0.168 nan 4.420 nan 0.000 0.216 182 P C 1.489 178.724 177.300 -0.109 0.000 1.150 182 P CA 1.833 64.884 63.100 -0.082 0.000 0.837 182 P CB -0.075 31.579 31.700 -0.077 0.000 0.786 183 V N -3.618 116.175 119.914 -0.202 0.000 2.788 183 V HA -0.049 4.068 4.120 -0.005 0.000 0.251 183 V C 2.112 178.084 176.094 -0.204 0.000 1.068 183 V CA 0.787 62.983 62.300 -0.173 0.000 1.090 183 V CB -1.615 30.116 31.823 -0.154 0.000 0.710 183 V HN -0.049 nan 8.190 nan 0.000 0.467 184 L N 0.417 121.383 121.223 -0.428 0.000 2.005 184 L HA 0.011 4.349 4.340 -0.005 0.000 0.207 184 L C 2.337 179.197 176.870 -0.017 0.000 1.072 184 L CA 2.020 56.680 54.840 -0.300 0.000 0.744 184 L CB -0.664 41.079 42.059 -0.525 0.000 0.895 184 L HN 0.260 nan 8.230 nan 0.000 0.433 185 L N -0.784 120.441 121.223 0.003 0.000 2.131 185 L HA -0.203 4.135 4.340 -0.005 0.000 0.210 185 L C 2.591 179.492 176.870 0.052 0.000 1.092 185 L CA 1.401 56.286 54.840 0.075 0.000 0.759 185 L CB -0.609 41.517 42.059 0.112 0.000 0.903 185 L HN 0.434 nan 8.230 nan 0.000 0.435 186 Q N -0.229 119.592 119.800 0.034 0.000 2.119 186 Q HA -0.244 4.093 4.340 -0.005 0.000 0.201 186 Q C 2.121 178.157 176.000 0.059 0.000 0.972 186 Q CA 1.712 57.536 55.803 0.034 0.000 0.847 186 Q CB -0.159 28.592 28.738 0.021 0.000 0.903 186 Q HN 0.515 nan 8.270 nan 0.000 0.433 187 H N -0.524 118.540 119.070 -0.009 0.000 2.363 187 H HA 0.022 4.575 4.556 -0.005 0.000 0.301 187 H C 1.582 176.931 175.328 0.034 0.000 1.074 187 H CA 1.729 57.785 56.048 0.014 0.000 1.354 187 H CB -0.091 29.682 29.762 0.018 0.000 1.397 187 H HN 0.293 nan 8.280 nan 0.000 0.516 188 L N -0.129 121.085 121.223 -0.015 0.000 2.046 188 L HA -0.169 4.168 4.340 -0.005 0.000 0.208 188 L C 2.767 179.584 176.870 -0.088 0.000 1.077 188 L CA 1.462 56.272 54.840 -0.049 0.000 0.747 188 L CB -0.446 41.647 42.059 0.057 0.000 0.896 188 L HN 0.259 nan 8.230 nan 0.000 0.432 189 R N 0.060 120.526 120.500 -0.057 0.000 2.091 189 R HA -0.164 4.173 4.340 -0.005 0.000 0.238 189 R C 2.242 178.492 176.300 -0.082 0.000 1.136 189 R CA 1.633 57.691 56.100 -0.069 0.000 0.959 189 R CB -0.330 29.948 30.300 -0.037 0.000 0.856 189 R HN 0.376 nan 8.270 nan 0.000 0.437 190 I N -0.986 119.533 120.570 -0.086 0.000 2.339 190 I HA -0.139 4.029 4.170 -0.005 0.000 0.245 190 I C 1.864 177.919 176.117 -0.103 0.000 1.096 190 I CA 1.074 62.329 61.300 -0.075 0.000 1.408 190 I CB 0.108 38.086 38.000 -0.038 0.000 1.092 190 I HN 0.024 nan 8.210 nan 0.000 0.423 191 S N -1.368 114.203 115.700 -0.215 0.000 2.545 191 S HA 0.141 4.608 4.470 -0.005 0.000 0.232 191 S C 0.794 175.307 174.600 -0.145 0.000 1.070 191 S CA 0.407 58.481 58.200 -0.209 0.000 0.923 191 S CB 0.532 63.504 63.200 -0.380 0.000 0.806 191 S HN 0.424 nan 8.310 nan 0.000 0.506 192 S N -0.215 115.362 115.700 -0.205 0.000 3.426 192 S HA -0.208 4.259 4.470 -0.005 0.000 0.630 192 S C -1.044 173.609 174.600 0.088 0.000 2.670 192 S CA 0.809 59.011 58.200 0.004 0.000 3.374 192 S CB -1.289 61.990 63.200 0.133 0.000 0.296 192 S HN 0.389 nan 8.310 nan 0.000 1.445 193 L N 1.194 122.569 121.223 0.252 0.000 2.431 193 L HA 0.496 4.834 4.340 -0.005 0.000 0.266 193 L C -0.294 176.702 176.870 0.210 0.000 0.978 193 L CA -0.779 54.193 54.840 0.219 0.000 0.822 193 L CB 1.943 44.106 42.059 0.174 0.000 1.310 193 L HN 0.719 nan 8.230 nan 0.000 0.409 194 E N 3.012 123.357 120.200 0.243 0.000 2.404 194 E HA 0.042 4.389 4.350 -0.005 0.000 0.261 194 E C -1.711 174.868 176.600 -0.035 0.000 1.074 194 E CA -1.344 55.125 56.400 0.115 0.000 0.917 194 E CB 0.470 30.250 29.700 0.134 0.000 0.965 194 E HN 0.323 nan 8.360 nan 0.000 0.433 195 P HA -0.293 nan 4.420 nan 0.000 0.217 195 P C 1.205 178.361 177.300 -0.241 0.000 1.151 195 P CA 1.416 64.377 63.100 -0.230 0.000 0.849 195 P CB 0.076 31.660 31.700 -0.192 0.000 0.787 196 Q N -1.581 118.022 119.800 -0.329 0.000 2.488 196 Q HA -0.068 4.270 4.340 -0.005 0.000 0.211 196 Q C 0.915 176.634 176.000 -0.468 0.000 0.967 196 Q CA 1.375 56.919 55.803 -0.432 0.000 0.926 196 Q CB -0.734 27.678 28.738 -0.544 0.000 0.992 196 Q HN 0.273 nan 8.270 nan 0.000 0.506 197 F N 0.204 120.132 119.950 -0.037 0.000 2.704 197 F HA 0.390 4.914 4.527 -0.005 0.000 0.304 197 F C 2.128 177.894 175.800 -0.057 0.000 1.094 197 F CA -0.593 57.389 58.000 -0.029 0.000 1.275 197 F CB 0.183 39.123 39.000 -0.101 0.000 1.073 197 F HN -0.052 nan 8.300 nan 0.000 0.586 198 R N 0.450 120.958 120.500 0.013 0.000 2.152 198 R HA -0.078 4.259 4.340 -0.005 0.000 0.232 198 R C 2.300 178.593 176.300 -0.011 0.000 1.117 198 R CA 0.996 57.044 56.100 -0.085 0.000 0.981 198 R CB -0.343 29.731 30.300 -0.377 0.000 0.870 198 R HN 0.248 nan 8.270 nan 0.000 0.451 199 A N 0.515 123.351 122.820 0.025 0.000 2.019 199 A HA -0.161 4.156 4.320 -0.005 0.000 0.219 199 A C 2.069 179.718 177.584 0.107 0.000 1.164 199 A CA 1.914 54.014 52.037 0.106 0.000 0.644 199 A CB -0.725 18.343 19.000 0.113 0.000 0.805 199 A HN 0.498 nan 8.150 nan 0.000 0.449 200 T N -3.085 111.549 114.554 0.134 0.000 3.098 200 T HA -0.056 4.292 4.350 -0.005 0.000 0.266 200 T C 1.610 176.360 174.700 0.083 0.000 1.145 200 T CA 1.087 63.281 62.100 0.156 0.000 1.092 200 T CB -0.436 68.590 68.868 0.263 0.000 0.908 200 T HN 0.245 nan 8.240 nan 0.000 0.526 201 M N 1.490 121.126 119.600 0.060 0.000 2.346 201 M HA 0.054 4.531 4.480 -0.005 0.000 0.263 201 M C 2.561 178.747 176.300 -0.189 0.000 1.064 201 M CA 1.247 56.590 55.300 0.072 0.000 1.083 201 M CB -1.710 31.012 32.600 0.204 0.000 1.399 201 M HN 0.565 nan 8.290 nan 0.000 0.435 202 G N 0.405 108.805 108.800 -0.668 0.000 2.432 202 G HA2 -0.163 3.794 3.960 -0.005 0.000 0.219 202 G HA3 -0.163 3.794 3.960 -0.005 0.000 0.219 202 G C 1.615 176.240 174.900 -0.459 0.000 1.135 202 G CA 0.423 44.602 45.100 -1.534 0.000 0.767 202 G HN 0.495 nan 8.290 nan 0.000 0.550 203 I N 0.638 121.135 120.570 -0.120 0.000 2.454 203 I HA -0.139 4.028 4.170 -0.005 0.000 0.254 203 I C 2.561 178.741 176.117 0.106 0.000 1.156 203 I CA 0.262 61.607 61.300 0.075 0.000 1.433 203 I CB -0.155 37.984 38.000 0.231 0.000 1.082 203 I HN 0.002 nan 8.210 nan 0.000 0.432 204 V N 0.896 120.903 119.914 0.156 0.000 2.594 204 V HA -0.253 3.864 4.120 -0.005 0.000 0.253 204 V C 2.375 178.522 176.094 0.089 0.000 1.069 204 V CA 1.397 63.827 62.300 0.216 0.000 1.082 204 V CB -0.536 31.459 31.823 0.288 0.000 0.680 204 V HN 0.399 nan 8.190 nan 0.000 0.469 205 L N 0.919 122.187 121.223 0.075 0.000 2.191 205 L HA -0.067 4.271 4.340 -0.005 0.000 0.212 205 L C 2.367 179.297 176.870 0.101 0.000 1.103 205 L CA 2.132 57.050 54.840 0.129 0.000 0.769 205 L CB -0.736 41.450 42.059 0.212 0.000 0.908 205 L HN 0.216 nan 8.230 nan 0.000 0.438 206 A N -0.250 122.568 122.820 -0.003 0.000 1.897 206 A HA 0.011 4.328 4.320 -0.005 0.000 0.215 206 A C 0.007 177.482 177.584 -0.182 0.000 1.181 206 A CA 1.276 53.297 52.037 -0.026 0.000 0.620 206 A CB -1.761 17.222 19.000 -0.028 0.000 0.821 206 A HN 0.403 nan 8.150 nan 0.000 0.443 207 P HA -0.141 nan 4.420 nan 0.000 0.214 207 P C 1.876 178.604 177.300 -0.954 0.000 1.163 207 P CA 2.119 64.694 63.100 -0.875 0.000 0.883 207 P CB -0.138 30.583 31.700 -1.632 0.000 0.788 208 A N -1.301 121.023 122.820 -0.826 0.000 1.883 208 A HA -0.212 4.105 4.320 -0.005 0.000 0.217 208 A C 2.001 179.332 177.584 -0.421 0.000 1.186 208 A CA 1.766 53.451 52.037 -0.586 0.000 0.624 208 A CB -1.861 16.911 19.000 -0.380 0.000 0.822 208 A HN 0.080 nan 8.150 nan 0.000 0.444 209 F N -0.391 119.444 119.950 -0.192 0.000 2.206 209 F HA -0.064 4.461 4.527 -0.003 0.000 0.298 209 F C 2.402 178.145 175.800 -0.095 0.000 1.090 209 F CA 1.149 59.099 58.000 -0.083 0.000 1.323 209 F CB -0.618 38.327 39.000 -0.092 0.000 1.028 209 F HN 0.014 nan 8.300 nan 0.000 0.492 210 V N -1.520 118.386 119.914 -0.014 0.000 2.515 210 V HA -0.288 3.829 4.120 -0.005 0.000 0.250 210 V C 2.512 178.351 176.094 -0.426 0.000 1.058 210 V CA 1.522 63.764 62.300 -0.097 0.000 1.064 210 V CB -0.849 30.978 31.823 0.006 0.000 0.675 210 V HN 0.611 nan 8.190 nan 0.000 0.461 211 C N -0.563 118.328 119.300 -0.681 0.000 2.436 211 C HA -0.124 4.333 4.460 -0.005 0.000 0.277 211 C C 2.824 177.707 174.990 -0.178 0.000 1.241 211 C CA 1.652 60.123 59.018 -0.911 0.000 1.721 211 C CB -0.621 26.792 27.740 -0.546 0.000 2.043 211 C HN 0.413 nan 8.230 nan 0.000 0.472 212 V N 0.214 120.116 119.914 -0.020 0.000 2.591 212 V HA -0.059 4.058 4.120 -0.005 0.000 0.249 212 V C 2.661 178.843 176.094 0.147 0.000 1.053 212 V CA 2.587 64.981 62.300 0.158 0.000 1.068 212 V CB -0.479 31.479 31.823 0.225 0.000 0.689 212 V HN 0.741 nan 8.190 nan 0.000 0.462 213 S N 0.008 115.768 115.700 0.099 0.000 2.368 213 S HA -0.097 4.370 4.470 -0.005 0.000 0.224 213 S C 2.155 176.765 174.600 0.017 0.000 1.029 213 S CA 1.683 59.933 58.200 0.083 0.000 0.988 213 S CB -0.420 62.851 63.200 0.119 0.000 0.838 213 S HN 0.799 nan 8.310 nan 0.000 0.462 214 A N 0.246 123.064 122.820 -0.004 0.000 1.902 214 A HA -0.038 4.279 4.320 -0.005 0.000 0.217 214 A C 2.055 179.593 177.584 -0.077 0.000 1.181 214 A CA 1.679 53.727 52.037 0.018 0.000 0.623 214 A CB -1.284 17.797 19.000 0.136 0.000 0.818 214 A HN 0.768 nan 8.150 nan 0.000 0.443 215 Y N 0.608 120.781 120.300 -0.213 0.000 2.128 215 Y HA -0.171 4.377 4.550 -0.005 0.000 0.284 215 Y C 1.904 177.594 175.900 -0.350 0.000 1.154 215 Y CA 1.915 59.700 58.100 -0.525 0.000 1.149 215 Y CB -0.368 37.886 38.460 -0.344 0.000 0.976 215 Y HN 0.211 nan 8.280 nan 0.000 0.505 216 L N -0.989 120.075 121.223 -0.265 0.000 2.201 216 L HA -0.204 4.134 4.340 -0.005 0.000 0.212 216 L C 2.504 179.178 176.870 -0.326 0.000 1.105 216 L CA 1.280 55.928 54.840 -0.320 0.000 0.775 216 L CB -0.618 41.337 42.059 -0.172 0.000 0.913 216 L HN 0.128 nan 8.230 nan 0.000 0.440 217 S N 0.089 115.628 115.700 -0.269 0.000 2.383 217 S HA -0.073 4.395 4.470 -0.005 0.000 0.227 217 S C 1.905 176.310 174.600 -0.325 0.000 1.026 217 S CA 1.192 59.243 58.200 -0.248 0.000 0.981 217 S CB -0.128 62.967 63.200 -0.175 0.000 0.818 217 S HN 0.326 nan 8.310 nan 0.000 0.472 218 I N 2.276 122.574 120.570 -0.453 0.000 2.480 218 I HA -0.060 4.107 4.170 -0.005 0.000 0.251 218 I C 1.503 177.258 176.117 -0.604 0.000 1.124 218 I CA 0.713 61.694 61.300 -0.532 0.000 1.444 218 I CB -0.352 37.114 38.000 -0.890 0.000 1.098 218 I HN 0.270 nan 8.210 nan 0.000 0.428 219 N N 0.530 118.822 118.700 -0.680 0.000 2.346 219 N HA -0.132 4.605 4.740 -0.005 0.000 0.225 219 N C 0.087 175.347 175.510 -0.417 0.000 1.144 219 N CA 0.003 52.704 53.050 -0.582 0.000 0.837 219 N CB -0.611 37.474 38.487 -0.670 0.000 1.069 219 N HN 0.368 nan 8.380 nan 0.000 0.487 220 H N -1.127 117.805 119.070 -0.229 0.000 2.936 220 H HA -0.131 4.422 4.556 -0.005 0.000 0.276 220 H C 1.210 176.412 175.328 -0.209 0.000 1.216 220 H CA 0.900 56.833 56.048 -0.192 0.000 1.132 220 H CB -1.784 27.870 29.762 -0.179 0.000 1.303 220 H HN 0.637 nan 8.280 nan 0.000 0.370 221 G N 0.514 109.201 108.800 -0.188 0.000 2.160 221 G HA2 -0.341 3.616 3.960 -0.005 0.000 0.251 221 G HA3 -0.341 3.616 3.960 -0.005 0.000 0.251 221 G C 0.049 174.834 174.900 -0.191 0.000 1.008 221 G CA 0.631 45.608 45.100 -0.205 0.000 0.724 221 G HN 0.713 nan 8.290 nan 0.000 0.514 222 E N 0.522 120.611 120.200 -0.184 0.000 2.105 222 E HA 0.398 4.745 4.350 -0.005 0.000 0.285 222 E C 0.271 176.761 176.600 -0.184 0.000 1.055 222 E CA -0.610 55.698 56.400 -0.153 0.000 0.843 222 E CB 0.675 30.316 29.700 -0.099 0.000 1.067 222 E HN 0.100 nan 8.360 nan 0.000 0.398 223 V N 6.825 126.588 119.914 -0.251 0.000 2.352 223 V HA 0.023 4.140 4.120 -0.005 0.000 0.253 223 V C 0.217 176.181 176.094 -0.216 0.000 1.083 223 V CA -0.163 61.907 62.300 -0.383 0.000 0.993 223 V CB -0.063 31.340 31.823 -0.701 0.000 1.111 223 V HN 0.668 nan 8.190 nan 0.000 0.490 224 D N 2.734 123.086 120.400 -0.080 0.000 2.595 224 D HA 0.254 4.891 4.640 -0.005 0.000 0.268 224 D C 1.204 177.519 176.300 0.025 0.000 1.181 224 D CA -0.503 53.496 54.000 -0.001 0.000 1.085 224 D CB 0.448 41.289 40.800 0.069 0.000 1.186 224 D HN 0.121 nan 8.370 nan 0.000 0.621 225 T N -0.483 114.097 114.554 0.043 0.000 2.708 225 T HA -0.108 4.239 4.350 -0.005 0.000 0.266 225 T C 1.705 176.436 174.700 0.051 0.000 1.037 225 T CA 1.258 63.389 62.100 0.053 0.000 1.146 225 T CB -0.390 68.504 68.868 0.043 0.000 0.865 225 T HN 0.340 nan 8.240 nan 0.000 0.435 226 L N 1.646 122.876 121.223 0.013 0.000 2.012 226 L HA -0.015 4.323 4.340 -0.005 0.000 0.210 226 L C 2.536 179.391 176.870 -0.025 0.000 1.073 226 L CA 2.140 56.944 54.840 -0.060 0.000 0.748 226 L CB -1.073 40.841 42.059 -0.242 0.000 0.891 226 L HN 0.210 nan 8.230 nan 0.000 0.431 227 A N -0.680 122.151 122.820 0.019 0.000 1.902 227 A HA -0.217 4.100 4.320 -0.005 0.000 0.217 227 A C 2.333 180.097 177.584 0.299 0.000 1.181 227 A CA 1.909 54.017 52.037 0.119 0.000 0.623 227 A CB -0.525 18.510 19.000 0.057 0.000 0.818 227 A HN 0.541 nan 8.150 nan 0.000 0.443 228 K N -0.474 120.097 120.400 0.285 0.000 2.097 228 K HA -0.019 4.298 4.320 -0.005 0.000 0.206 228 K C 1.749 178.552 176.600 0.338 0.000 1.049 228 K CA 1.380 57.919 56.287 0.419 0.000 0.933 228 K CB -0.314 32.363 32.500 0.296 0.000 0.717 228 K HN 0.521 nan 8.250 nan 0.000 0.442 229 I N 0.982 121.680 120.570 0.214 0.000 2.226 229 I HA -0.296 3.871 4.170 -0.005 0.000 0.245 229 I C 2.055 178.285 176.117 0.189 0.000 1.100 229 I CA 1.235 62.635 61.300 0.167 0.000 1.374 229 I CB -0.141 37.916 38.000 0.095 0.000 1.057 229 I HN 0.135 nan 8.210 nan 0.000 0.413 230 L N -1.199 120.140 121.223 0.193 0.000 2.093 230 L HA -0.218 4.119 4.340 -0.005 0.000 0.208 230 L C 2.380 179.332 176.870 0.137 0.000 1.085 230 L CA 1.220 56.169 54.840 0.181 0.000 0.755 230 L CB -0.604 41.547 42.059 0.154 0.000 0.904 230 L HN 0.359 nan 8.230 nan 0.000 0.435 231 W N 0.903 122.182 121.300 -0.035 0.000 2.358 231 W HA -0.077 4.580 4.660 -0.005 0.000 0.303 231 W C 2.449 178.914 176.519 -0.090 0.000 1.208 231 W CA 1.425 58.663 57.345 -0.179 0.000 1.274 231 W CB -0.979 28.449 29.460 -0.054 0.000 1.138 231 W HN 0.110 nan 8.180 nan 0.000 0.515 232 G N -0.989 107.963 108.800 0.254 0.000 2.514 232 G HA2 -0.400 3.557 3.960 -0.005 0.000 0.217 232 G HA3 -0.400 3.557 3.960 -0.005 0.000 0.217 232 G C 1.439 176.360 174.900 0.034 0.000 1.198 232 G CA 1.386 46.589 45.100 0.173 0.000 0.780 232 G HN 0.338 nan 8.290 nan 0.000 0.565 233 Y N 2.082 122.336 120.300 -0.076 0.000 2.242 233 Y HA 0.014 4.561 4.550 -0.004 0.000 0.291 233 Y C 2.808 178.527 175.900 -0.301 0.000 1.137 233 Y CA 1.328 59.351 58.100 -0.128 0.000 1.181 233 Y CB -0.457 37.995 38.460 -0.013 0.000 0.989 233 Y HN 0.151 nan 8.280 nan 0.000 0.527 234 G N -0.347 108.165 108.800 -0.480 0.000 2.476 234 G HA2 -0.315 3.643 3.960 -0.005 0.000 0.218 234 G HA3 -0.315 3.643 3.960 -0.005 0.000 0.218 234 G C 1.438 175.893 174.900 -0.742 0.000 1.164 234 G CA 1.248 45.673 45.100 -1.125 0.000 0.768 234 G HN 0.414 nan 8.290 nan 0.000 0.560 235 F N 0.057 119.688 119.950 -0.530 0.000 2.186 235 F HA 0.120 4.644 4.527 -0.005 0.000 0.299 235 F C 2.416 177.603 175.800 -1.022 0.000 1.090 235 F CA 0.538 58.122 58.000 -0.694 0.000 1.307 235 F CB -0.708 37.861 39.000 -0.717 0.000 1.019 235 F HN 0.098 nan 8.300 nan 0.000 0.489 236 L N 0.054 120.904 121.223 -0.622 0.000 2.013 236 L HA -0.245 4.093 4.340 -0.005 0.000 0.212 236 L C 2.399 178.734 176.870 -0.891 0.000 1.073 236 L CA 1.865 56.269 54.840 -0.727 0.000 0.753 236 L CB -0.699 40.943 42.059 -0.696 0.000 0.890 236 L HN 0.084 nan 8.230 nan 0.000 0.432 237 Q N -0.980 118.381 119.800 -0.732 0.000 2.123 237 Q HA -0.159 4.179 4.340 -0.005 0.000 0.199 237 Q C 2.267 178.196 176.000 -0.119 0.000 0.966 237 Q CA 1.437 56.977 55.803 -0.439 0.000 0.845 237 Q CB -0.673 27.896 28.738 -0.282 0.000 0.907 237 Q HN 0.472 nan 8.270 nan 0.000 0.439 238 L N 0.433 121.581 121.223 -0.125 0.000 1.990 238 L HA -0.187 4.150 4.340 -0.005 0.000 0.213 238 L C 2.044 179.017 176.870 0.170 0.000 1.072 238 L CA 1.783 56.643 54.840 0.033 0.000 0.755 238 L CB -0.787 41.242 42.059 -0.050 0.000 0.889 238 L HN 0.013 nan 8.230 nan 0.000 0.432 239 F N -0.994 118.991 119.950 0.058 0.000 2.134 239 F HA -0.196 4.328 4.527 -0.005 0.000 0.299 239 F C 2.367 178.346 175.800 0.298 0.000 1.097 239 F CA 0.782 58.854 58.000 0.120 0.000 1.264 239 F CB -1.479 37.568 39.000 0.079 0.000 1.001 239 F HN 0.047 nan 8.300 nan 0.000 0.479 240 F N 0.088 120.179 119.950 0.235 0.000 2.134 240 F HA -0.156 4.368 4.527 -0.005 0.000 0.299 240 F C 2.388 178.315 175.800 0.211 0.000 1.097 240 F CA 0.799 58.901 58.000 0.170 0.000 1.264 240 F CB -1.496 37.568 39.000 0.106 0.000 1.001 240 F HN -0.030 nan 8.300 nan 0.000 0.479 241 L N -1.106 120.389 121.223 0.453 0.000 2.131 241 L HA -0.157 4.180 4.340 -0.005 0.000 0.206 241 L C 2.435 179.587 176.870 0.469 0.000 1.087 241 L CA 0.520 55.642 54.840 0.471 0.000 0.767 241 L CB -0.608 41.758 42.059 0.511 0.000 0.917 241 L HN 0.083 nan 8.230 nan 0.000 0.441 242 L N -0.414 121.041 121.223 0.388 0.000 1.989 242 L HA -0.253 4.084 4.340 -0.005 0.000 0.211 242 L C 2.914 179.967 176.870 0.305 0.000 1.071 242 L CA 1.274 56.300 54.840 0.310 0.000 0.749 242 L CB -0.579 41.637 42.059 0.261 0.000 0.890 242 L HN 0.276 nan 8.230 nan 0.000 0.431 243 R N 0.749 121.416 120.500 0.279 0.000 2.096 243 R HA -0.134 4.203 4.340 -0.005 0.000 0.235 243 R C 2.036 178.476 176.300 0.233 0.000 1.127 243 R CA 1.491 57.716 56.100 0.209 0.000 0.968 243 R CB -0.434 29.958 30.300 0.153 0.000 0.861 243 R HN 0.377 nan 8.270 nan 0.000 0.440 244 L N 0.097 121.498 121.223 0.297 0.000 2.552 244 L HA -0.031 4.306 4.340 -0.005 0.000 0.227 244 L C 1.997 179.131 176.870 0.440 0.000 1.146 244 L CA 0.026 55.069 54.840 0.338 0.000 0.858 244 L CB -0.348 41.928 42.059 0.361 0.000 0.969 244 L HN 0.065 nan 8.230 nan 0.000 0.451 245 F N 1.974 122.081 119.950 0.262 0.000 2.126 245 F HA -0.129 4.396 4.527 -0.004 0.000 0.299 245 F C -0.501 175.405 175.800 0.176 0.000 1.096 245 F CA 1.459 59.587 58.000 0.213 0.000 1.255 245 F CB -1.086 37.982 39.000 0.114 0.000 0.997 245 F HN 0.095 nan 8.300 nan 0.000 0.479 246 P HA -0.200 nan 4.420 nan 0.000 0.217 246 P C 1.193 178.535 177.300 0.070 0.000 1.150 246 P CA 1.805 64.970 63.100 0.109 0.000 0.832 246 P CB -0.458 31.338 31.700 0.161 0.000 0.787 247 W N 0.504 121.790 121.300 -0.023 0.000 2.363 247 W HA -0.115 4.543 4.660 -0.005 0.000 0.296 247 W C 1.865 178.344 176.519 -0.067 0.000 1.212 247 W CA 1.201 58.530 57.345 -0.026 0.000 1.260 247 W CB -0.814 28.651 29.460 0.009 0.000 1.131 247 W HN -0.211 nan 8.180 nan 0.000 0.530 248 I N 0.892 121.375 120.570 -0.146 0.000 2.226 248 I HA -0.243 3.924 4.170 -0.005 0.000 0.245 248 I C 1.884 177.719 176.117 -0.470 0.000 1.100 248 I CA 1.746 62.806 61.300 -0.399 0.000 1.374 248 I CB -0.817 37.108 38.000 -0.125 0.000 1.057 248 I HN -0.011 nan 8.210 nan 0.000 0.413 249 V N -2.279 117.333 119.914 -0.503 0.000 3.252 249 V HA 0.129 4.246 4.120 -0.005 0.000 0.350 249 V C 1.621 177.565 176.094 -0.250 0.000 1.329 249 V CA 0.061 62.124 62.300 -0.395 0.000 1.258 249 V CB -0.345 31.191 31.823 -0.478 0.000 1.208 249 V HN 0.369 nan 8.190 nan 0.000 0.462 250 E N 1.388 121.432 120.200 -0.260 0.000 2.065 250 E HA -0.243 4.105 4.350 -0.005 0.000 0.201 250 E C 1.136 177.658 176.600 -0.130 0.000 1.016 250 E CA 1.601 57.899 56.400 -0.170 0.000 0.818 250 E CB 0.152 29.721 29.700 -0.217 0.000 0.749 250 E HN 0.532 nan 8.360 nan 0.000 0.453 251 K N 0.058 120.367 120.400 -0.152 0.000 2.500 251 K HA 0.225 4.543 4.320 -0.005 0.000 0.206 251 K C 0.045 176.592 176.600 -0.088 0.000 1.034 251 K CA 0.634 56.858 56.287 -0.106 0.000 1.179 251 K CB 0.698 33.131 32.500 -0.111 0.000 0.884 251 K HN 0.308 nan 8.250 nan 0.000 0.493 252 G N 0.595 109.340 108.800 -0.092 0.000 2.539 252 G HA2 -0.146 3.812 3.960 -0.005 0.000 0.686 252 G HA3 -0.146 3.812 3.960 -0.005 0.000 0.686 252 G C -0.982 173.879 174.900 -0.065 0.000 1.258 252 G CA -1.106 43.957 45.100 -0.061 0.000 0.846 252 G HN 0.090 nan 8.290 nan 0.000 0.647 253 L N 1.471 122.675 121.223 -0.031 0.000 2.397 253 L HA 0.535 4.872 4.340 -0.005 0.000 0.271 253 L C 0.629 177.508 176.870 0.014 0.000 1.148 253 L CA -0.354 54.480 54.840 -0.010 0.000 0.825 253 L CB 1.041 43.108 42.059 0.013 0.000 1.117 253 L HN 0.966 nan 8.230 nan 0.000 0.456 254 N N 1.161 119.877 118.700 0.026 0.000 2.708 254 N HA 0.206 4.943 4.740 -0.005 0.000 0.257 254 N C 0.043 175.597 175.510 0.073 0.000 1.373 254 N CA -0.835 52.243 53.050 0.046 0.000 0.843 254 N CB 0.857 39.359 38.487 0.024 0.000 1.503 254 N HN 0.336 nan 8.380 nan 0.000 0.504 255 I N 0.510 121.127 120.570 0.079 0.000 2.657 255 I HA 0.013 4.180 4.170 -0.005 0.000 0.261 255 I C 2.051 178.258 176.117 0.151 0.000 1.212 255 I CA 1.497 62.861 61.300 0.107 0.000 1.453 255 I CB -0.615 37.318 38.000 -0.112 0.000 1.092 255 I HN 0.898 nan 8.210 nan 0.000 0.452 256 G N -0.016 108.851 108.800 0.113 0.000 2.479 256 G HA2 -0.233 3.725 3.960 -0.005 0.000 0.220 256 G HA3 -0.233 3.725 3.960 -0.005 0.000 0.220 256 G C 1.602 176.631 174.900 0.216 0.000 1.115 256 G CA 0.532 45.717 45.100 0.142 0.000 0.757 256 G HN 0.439 nan 8.290 nan 0.000 0.560 257 L N -1.315 120.030 121.223 0.204 0.000 2.450 257 L HA 0.002 4.340 4.340 -0.005 0.000 0.224 257 L C 2.340 179.378 176.870 0.281 0.000 1.149 257 L CA 0.116 55.123 54.840 0.279 0.000 0.816 257 L CB -0.260 41.898 42.059 0.166 0.000 0.932 257 L HN 0.314 nan 8.230 nan 0.000 0.449 258 W N -0.101 121.290 121.300 0.151 0.000 2.424 258 W HA -0.178 4.479 4.660 -0.005 0.000 0.264 258 W C 2.470 179.099 176.519 0.184 0.000 1.229 258 W CA 0.856 58.282 57.345 0.135 0.000 1.208 258 W CB -0.152 29.339 29.460 0.053 0.000 1.127 258 W HN 0.142 nan 8.180 nan 0.000 0.588 259 A N -0.847 122.202 122.820 0.382 0.000 2.131 259 A HA -0.180 4.137 4.320 -0.005 0.000 0.220 259 A C 1.496 179.184 177.584 0.174 0.000 1.158 259 A CA 1.056 53.251 52.037 0.263 0.000 0.665 259 A CB -1.050 18.064 19.000 0.190 0.000 0.795 259 A HN 0.348 nan 8.150 nan 0.000 0.460 260 F N 0.557 120.609 119.950 0.170 0.000 2.558 260 F HA -0.089 4.436 4.527 -0.003 0.000 0.298 260 F C 2.711 178.567 175.800 0.094 0.000 1.119 260 F CA 1.123 59.198 58.000 0.125 0.000 1.451 260 F CB 0.002 39.051 39.000 0.082 0.000 1.091 260 F HN 0.356 nan 8.300 nan 0.000 0.563 261 S N -0.535 115.341 115.700 0.294 0.000 2.423 261 S HA -0.061 4.406 4.470 -0.005 0.000 0.231 261 S C 2.338 177.056 174.600 0.197 0.000 1.014 261 S CA 1.027 59.366 58.200 0.232 0.000 0.965 261 S CB -1.043 62.393 63.200 0.393 0.000 0.785 261 S HN 0.323 nan 8.310 nan 0.000 0.495 262 G N 1.256 110.175 108.800 0.198 0.000 2.394 262 G HA2 0.185 4.142 3.960 -0.005 0.000 0.215 262 G HA3 0.185 4.142 3.960 -0.005 0.000 0.215 262 G C 1.407 176.377 174.900 0.117 0.000 1.165 262 G CA 0.485 45.677 45.100 0.153 0.000 0.784 262 G HN 0.628 nan 8.290 nan 0.000 0.535 263 G N 0.987 109.859 108.800 0.119 0.000 2.404 263 G HA2 -0.123 3.834 3.960 -0.005 0.000 0.215 263 G HA3 -0.123 3.834 3.960 -0.005 0.000 0.215 263 G C 1.814 176.719 174.900 0.009 0.000 1.174 263 G CA 0.707 45.868 45.100 0.101 0.000 0.780 263 G HN 0.397 nan 8.290 nan 0.000 0.537 264 L N 0.784 122.027 121.223 0.034 0.000 2.012 264 L HA -0.091 4.246 4.340 -0.005 0.000 0.210 264 L C 3.433 180.259 176.870 -0.073 0.000 1.073 264 L CA 1.185 55.997 54.840 -0.047 0.000 0.748 264 L CB -0.428 41.612 42.059 -0.032 0.000 0.891 264 L HN 0.304 nan 8.230 nan 0.000 0.431 265 A N -0.689 122.131 122.820 0.001 0.000 1.902 265 A HA -0.193 4.124 4.320 -0.005 0.000 0.217 265 A C 2.458 180.068 177.584 0.043 0.000 1.181 265 A CA 2.093 54.145 52.037 0.025 0.000 0.623 265 A CB -0.624 18.427 19.000 0.085 0.000 0.818 265 A HN 0.406 nan 8.150 nan 0.000 0.443 266 S N -0.864 114.869 115.700 0.055 0.000 2.447 266 S HA -0.103 4.365 4.470 -0.005 0.000 0.233 266 S C 1.907 176.562 174.600 0.091 0.000 1.006 266 S CA 1.364 59.626 58.200 0.104 0.000 0.957 266 S CB -0.318 62.966 63.200 0.140 0.000 0.773 266 S HN 0.610 nan 8.310 nan 0.000 0.507 267 M N 1.264 120.776 119.600 -0.147 0.000 2.099 267 M HA -0.108 4.369 4.480 -0.005 0.000 0.262 267 M C 2.307 178.628 176.300 0.034 0.000 1.067 267 M CA 1.495 56.585 55.300 -0.351 0.000 1.124 267 M CB -0.364 31.821 32.600 -0.691 0.000 1.353 267 M HN 0.415 nan 8.290 nan 0.000 0.410 268 A N 0.293 123.120 122.820 0.012 0.000 1.877 268 A HA -0.227 4.090 4.320 -0.005 0.000 0.216 268 A C 1.758 179.532 177.584 0.316 0.000 1.186 268 A CA 2.260 54.359 52.037 0.103 0.000 0.620 268 A CB -1.099 17.776 19.000 -0.208 0.000 0.822 268 A HN 0.611 nan 8.150 nan 0.000 0.443 269 N N 0.502 119.352 118.700 0.250 0.000 2.039 269 N HA -0.180 4.558 4.740 -0.005 0.000 0.193 269 N C 2.022 177.722 175.510 0.316 0.000 1.044 269 N CA 2.638 55.875 53.050 0.311 0.000 0.847 269 N CB -0.345 38.298 38.487 0.260 0.000 1.030 269 N HN 0.499 nan 8.380 nan 0.000 0.422 270 S N -0.192 115.706 115.700 0.330 0.000 2.370 270 S HA -0.116 4.351 4.470 -0.005 0.000 0.226 270 S C 2.174 177.032 174.600 0.429 0.000 1.033 270 S CA 1.300 59.724 58.200 0.372 0.000 1.011 270 S CB -0.988 62.520 63.200 0.513 0.000 0.852 270 S HN 0.458 nan 8.310 nan 0.000 0.457 271 A N 2.389 125.531 122.820 0.536 0.000 1.940 271 A HA -0.110 4.208 4.320 -0.005 0.000 0.219 271 A C 2.620 180.428 177.584 0.373 0.000 1.176 271 A CA 2.554 54.929 52.037 0.563 0.000 0.631 271 A CB -1.898 17.444 19.000 0.571 0.000 0.814 271 A HN 0.846 nan 8.150 nan 0.000 0.446 272 T N -2.134 112.591 114.554 0.284 0.000 2.746 272 T HA 0.025 4.372 4.350 -0.005 0.000 0.267 272 T C 1.928 176.819 174.700 0.318 0.000 1.039 272 T CA 1.813 64.028 62.100 0.193 0.000 1.142 272 T CB -0.629 68.369 68.868 0.217 0.000 0.866 272 T HN 0.615 nan 8.240 nan 0.000 0.444 273 A N 0.624 123.592 122.820 0.246 0.000 1.898 273 A HA 0.167 4.485 4.320 -0.005 0.000 0.216 273 A C 2.045 179.673 177.584 0.073 0.000 1.181 273 A CA 1.140 53.248 52.037 0.118 0.000 0.620 273 A CB -1.102 17.880 19.000 -0.030 0.000 0.819 273 A HN 0.496 nan 8.150 nan 0.000 0.442 274 F N -2.021 117.889 119.950 -0.066 0.000 2.186 274 F HA -0.101 4.424 4.527 -0.004 0.000 0.299 274 F C 2.181 177.975 175.800 -0.010 0.000 1.090 274 F CA 1.627 59.541 58.000 -0.144 0.000 1.307 274 F CB -0.606 38.151 39.000 -0.406 0.000 1.019 274 F HN 0.394 nan 8.300 nan 0.000 0.489 275 Y N 0.076 120.456 120.300 0.133 0.000 2.145 275 Y HA -0.294 4.254 4.550 -0.003 0.000 0.286 275 Y C 2.888 178.754 175.900 -0.056 0.000 1.145 275 Y CA 1.978 60.089 58.100 0.018 0.000 1.148 275 Y CB -0.645 37.768 38.460 -0.077 0.000 0.981 275 Y HN 0.048 nan 8.280 nan 0.000 0.507 276 H N -1.351 117.802 119.070 0.138 0.000 2.353 276 H HA -0.133 4.421 4.556 -0.004 0.000 0.298 276 H C 2.078 177.359 175.328 -0.078 0.000 1.103 276 H CA 1.491 57.552 56.048 0.021 0.000 1.293 276 H CB -0.750 29.014 29.762 0.003 0.000 1.372 276 H HN 0.466 nan 8.280 nan 0.000 0.501 277 G N 0.125 108.933 108.800 0.013 0.000 3.181 277 G HA2 -0.119 3.838 3.960 -0.005 0.000 0.219 277 G HA3 -0.119 3.838 3.960 -0.005 0.000 0.219 277 G C 0.327 175.170 174.900 -0.095 0.000 1.182 277 G CA 0.158 45.215 45.100 -0.072 0.000 0.791 277 G HN 0.362 nan 8.290 nan 0.000 0.537 278 N N -0.919 117.706 118.700 -0.124 0.000 2.714 278 N HA -0.188 4.550 4.740 -0.005 0.000 0.253 278 N C -0.810 174.664 175.510 -0.061 0.000 1.024 278 N CA 0.617 53.581 53.050 -0.145 0.000 0.726 278 N CB -1.248 37.164 38.487 -0.124 0.000 0.908 278 N HN 0.106 nan 8.380 nan 0.000 0.542 279 V N 2.078 121.995 119.914 0.004 0.000 2.483 279 V HA 0.406 4.523 4.120 -0.005 0.000 0.297 279 V C 0.861 177.108 176.094 0.254 0.000 1.027 279 V CA -0.784 61.586 62.300 0.116 0.000 0.855 279 V CB 1.639 33.524 31.823 0.104 0.000 0.995 279 V HN 0.348 nan 8.190 nan 0.000 0.424 280 L N 5.016 126.368 121.223 0.216 0.000 3.895 280 L HA -0.273 4.064 4.340 -0.005 0.000 0.511 280 L C 1.734 178.761 176.870 0.263 0.000 1.222 280 L CA 0.424 55.413 54.840 0.248 0.000 0.739 280 L CB -0.934 41.348 42.059 0.372 0.000 1.425 280 L HN 0.794 nan 8.230 nan 0.000 0.817 281 Q N 0.453 120.346 119.800 0.155 0.000 2.167 281 Q HA -0.125 4.212 4.340 -0.005 0.000 0.202 281 Q C 2.090 178.258 176.000 0.281 0.000 0.970 281 Q CA 1.582 57.487 55.803 0.170 0.000 0.855 281 Q CB 0.084 28.781 28.738 -0.069 0.000 0.911 281 Q HN 0.855 nan 8.270 nan 0.000 0.438 282 G N 0.104 109.020 108.800 0.194 0.000 2.394 282 G HA2 -0.156 3.801 3.960 -0.005 0.000 0.215 282 G HA3 -0.156 3.801 3.960 -0.005 0.000 0.215 282 G C 1.494 176.507 174.900 0.188 0.000 1.165 282 G CA 0.434 45.637 45.100 0.172 0.000 0.784 282 G HN 0.178 nan 8.290 nan 0.000 0.535 283 V N 1.169 121.180 119.914 0.162 0.000 2.407 283 V HA -0.177 3.940 4.120 -0.005 0.000 0.248 283 V C 3.094 179.368 176.094 0.300 0.000 1.055 283 V CA 2.110 64.474 62.300 0.107 0.000 1.049 283 V CB -0.378 31.430 31.823 -0.025 0.000 0.662 283 V HN 0.338 nan 8.190 nan 0.000 0.455 284 S N 0.027 115.993 115.700 0.443 0.000 2.348 284 S HA -0.147 4.320 4.470 -0.005 0.000 0.221 284 S C 1.871 176.694 174.600 0.371 0.000 1.033 284 S CA 1.803 60.323 58.200 0.533 0.000 1.010 284 S CB -0.332 63.195 63.200 0.545 0.000 0.891 284 S HN 0.506 nan 8.310 nan 0.000 0.442 285 I N 0.650 121.397 120.570 0.296 0.000 2.163 285 I HA -0.201 3.966 4.170 -0.005 0.000 0.243 285 I C 2.095 178.343 176.117 0.219 0.000 1.085 285 I CA 1.306 62.716 61.300 0.183 0.000 1.347 285 I CB -0.416 37.670 38.000 0.143 0.000 1.044 285 I HN 0.224 nan 8.210 nan 0.000 0.408 286 F N 1.755 121.772 119.950 0.112 0.000 2.065 286 F HA -0.334 4.191 4.527 -0.004 0.000 0.298 286 F C 2.472 178.348 175.800 0.126 0.000 1.112 286 F CA 1.750 59.800 58.000 0.083 0.000 1.212 286 F CB -0.531 38.470 39.000 0.002 0.000 0.975 286 F HN 0.032 nan 8.300 nan 0.000 0.476 287 A N 0.020 122.940 122.820 0.166 0.000 1.883 287 A HA -0.239 4.078 4.320 -0.005 0.000 0.217 287 A C 2.200 179.804 177.584 0.033 0.000 1.186 287 A CA 1.759 53.842 52.037 0.077 0.000 0.624 287 A CB -1.720 17.429 19.000 0.247 0.000 0.822 287 A HN 0.559 nan 8.150 nan 0.000 0.444 288 F N 0.474 120.408 119.950 -0.026 0.000 2.095 288 F HA -0.170 4.353 4.527 -0.006 0.000 0.298 288 F C 2.328 178.041 175.800 -0.145 0.000 1.104 288 F CA 2.032 59.972 58.000 -0.100 0.000 1.232 288 F CB -0.257 38.658 39.000 -0.143 0.000 0.987 288 F HN 0.041 nan 8.300 nan 0.000 0.475 289 V N -0.078 119.821 119.914 -0.023 0.000 2.270 289 V HA -0.293 3.824 4.120 -0.005 0.000 0.245 289 V C 2.161 178.120 176.094 -0.226 0.000 1.043 289 V CA 2.014 64.248 62.300 -0.110 0.000 1.014 289 V CB -1.003 30.795 31.823 -0.041 0.000 0.645 289 V HN 0.436 nan 8.190 nan 0.000 0.447 290 F N 1.760 121.406 119.950 -0.507 0.000 2.045 290 F HA -0.332 4.193 4.527 -0.004 0.000 0.297 290 F C 2.660 178.238 175.800 -0.369 0.000 1.114 290 F CA 2.387 60.069 58.000 -0.529 0.000 1.207 290 F CB -0.589 37.911 39.000 -0.834 0.000 0.964 290 F HN 0.169 nan 8.300 nan 0.000 0.486 291 S N 0.630 116.193 115.700 -0.230 0.000 2.359 291 S HA -0.275 4.193 4.470 -0.005 0.000 0.223 291 S C 1.830 176.214 174.600 -0.359 0.000 1.039 291 S CA 1.563 59.589 58.200 -0.291 0.000 1.042 291 S CB -0.833 62.227 63.200 -0.233 0.000 0.915 291 S HN 0.520 nan 8.310 nan 0.000 0.439 292 N N 1.005 119.488 118.700 -0.361 0.000 2.120 292 N HA -0.055 4.682 4.740 -0.005 0.000 0.188 292 N C 1.804 177.175 175.510 -0.231 0.000 1.024 292 N CA 1.187 54.085 53.050 -0.254 0.000 0.852 292 N CB -0.392 37.960 38.487 -0.224 0.000 1.003 292 N HN 0.214 nan 8.380 nan 0.000 0.424 293 V N 1.690 121.429 119.914 -0.292 0.000 2.407 293 V HA -0.191 3.926 4.120 -0.005 0.000 0.248 293 V C 2.396 178.277 176.094 -0.356 0.000 1.055 293 V CA 1.204 63.334 62.300 -0.284 0.000 1.049 293 V CB -0.264 31.388 31.823 -0.285 0.000 0.662 293 V HN 0.283 nan 8.190 nan 0.000 0.455 294 M N -1.088 118.212 119.600 -0.500 0.000 2.193 294 M HA 0.019 4.496 4.480 -0.005 0.000 0.265 294 M C 2.158 178.206 176.300 -0.420 0.000 1.071 294 M CA 1.725 56.702 55.300 -0.538 0.000 1.140 294 M CB -0.830 31.341 32.600 -0.714 0.000 1.369 294 M HN 0.255 nan 8.290 nan 0.000 0.423 295 I N -0.216 120.146 120.570 -0.347 0.000 2.493 295 I HA -0.165 4.003 4.170 -0.005 0.000 0.254 295 I C 2.411 178.374 176.117 -0.256 0.000 1.160 295 I CA 1.031 62.148 61.300 -0.305 0.000 1.445 295 I CB -0.719 37.190 38.000 -0.153 0.000 1.086 295 I HN 0.315 nan 8.210 nan 0.000 0.433 296 G N 1.013 109.690 108.800 -0.205 0.000 2.422 296 G HA2 -0.174 3.783 3.960 -0.005 0.000 0.218 296 G HA3 -0.174 3.783 3.960 -0.005 0.000 0.218 296 G C 1.686 176.485 174.900 -0.168 0.000 1.146 296 G CA 0.394 45.407 45.100 -0.146 0.000 0.769 296 G HN 0.264 nan 8.290 nan 0.000 0.547 297 L N -0.146 120.939 121.223 -0.231 0.000 2.093 297 L HA 0.050 4.387 4.340 -0.005 0.000 0.208 297 L C 2.863 179.590 176.870 -0.239 0.000 1.085 297 L CA 0.372 55.082 54.840 -0.218 0.000 0.755 297 L CB -0.342 41.566 42.059 -0.251 0.000 0.904 297 L HN 0.180 nan 8.230 nan 0.000 0.435 298 L N -0.998 119.996 121.223 -0.382 0.000 2.083 298 L HA -0.201 4.136 4.340 -0.005 0.000 0.209 298 L C 2.509 179.215 176.870 -0.273 0.000 1.083 298 L CA 0.850 55.346 54.840 -0.573 0.000 0.752 298 L CB -0.514 40.770 42.059 -1.292 0.000 0.899 298 L HN 0.062 nan 8.230 nan 0.000 0.433 299 V N 0.005 119.853 119.914 -0.111 0.000 2.343 299 V HA -0.281 3.836 4.120 -0.005 0.000 0.247 299 V C 2.362 178.510 176.094 0.091 0.000 1.051 299 V CA 1.612 64.000 62.300 0.147 0.000 1.036 299 V CB -0.360 31.531 31.823 0.112 0.000 0.654 299 V HN 0.346 nan 8.190 nan 0.000 0.451 300 L N -1.151 120.079 121.223 0.012 0.000 2.131 300 L HA -0.187 4.150 4.340 -0.005 0.000 0.210 300 L C 2.456 179.365 176.870 0.065 0.000 1.092 300 L CA 1.593 56.445 54.840 0.020 0.000 0.759 300 L CB -0.380 41.663 42.059 -0.028 0.000 0.903 300 L HN 0.323 nan 8.230 nan 0.000 0.435 301 M N -1.483 118.146 119.600 0.048 0.000 2.349 301 M HA -0.098 4.379 4.480 -0.005 0.000 0.266 301 M C 2.074 178.500 176.300 0.209 0.000 1.076 301 M CA 1.295 56.661 55.300 0.110 0.000 1.126 301 M CB -0.283 32.336 32.600 0.032 0.000 1.392 301 M HN 0.176 nan 8.290 nan 0.000 0.440 302 T N 0.858 115.545 114.554 0.221 0.000 2.896 302 T HA 0.047 4.394 4.350 -0.005 0.000 0.263 302 T C 1.768 176.539 174.700 0.118 0.000 1.050 302 T CA 0.898 63.163 62.100 0.274 0.000 1.140 302 T CB -0.107 69.020 68.868 0.432 0.000 0.877 302 T HN 0.285 nan 8.240 nan 0.000 0.457 303 I N 0.238 120.863 120.570 0.092 0.000 2.226 303 I HA -0.183 3.984 4.170 -0.005 0.000 0.245 303 I C 2.276 178.428 176.117 0.058 0.000 1.100 303 I CA 1.428 62.747 61.300 0.031 0.000 1.374 303 I CB -0.370 37.655 38.000 0.041 0.000 1.057 303 I HN 0.200 nan 8.210 nan 0.000 0.413 304 Y N 2.156 122.462 120.300 0.010 0.000 2.053 304 Y HA -0.331 4.216 4.550 -0.005 0.000 0.277 304 Y C 2.538 178.455 175.900 0.028 0.000 1.159 304 Y CA 1.787 59.895 58.100 0.014 0.000 1.125 304 Y CB -0.348 38.121 38.460 0.015 0.000 0.969 304 Y HN -0.038 nan 8.280 nan 0.000 0.492 305 K N -0.022 120.357 120.400 -0.036 0.000 2.103 305 K HA -0.193 4.125 4.320 -0.005 0.000 0.207 305 K C 2.208 178.770 176.600 -0.064 0.000 1.048 305 K CA 1.628 57.873 56.287 -0.071 0.000 0.930 305 K CB -0.462 32.127 32.500 0.149 0.000 0.716 305 K HN 0.385 nan 8.250 nan 0.000 0.444 306 L N 0.858 122.036 121.223 -0.074 0.000 2.081 306 L HA -0.183 4.155 4.340 -0.005 0.000 0.212 306 L C 2.286 179.090 176.870 -0.110 0.000 1.080 306 L CA 1.637 56.389 54.840 -0.147 0.000 0.754 306 L CB -0.565 41.334 42.059 -0.267 0.000 0.893 306 L HN 0.373 nan 8.230 nan 0.000 0.433 307 T N -4.786 109.682 114.554 -0.143 0.000 3.188 307 T HA 0.071 4.418 4.350 -0.005 0.000 0.250 307 T C 1.029 175.616 174.700 -0.188 0.000 1.077 307 T CA -0.146 61.873 62.100 -0.134 0.000 0.967 307 T CB 0.112 68.919 68.868 -0.102 0.000 1.006 307 T HN 0.006 nan 8.240 nan 0.000 0.552 308 K N 0.872 121.135 120.400 -0.228 0.000 2.506 308 K HA 0.387 4.704 4.320 -0.005 0.000 0.204 308 K C 1.217 177.765 176.600 -0.087 0.000 1.045 308 K CA 0.029 56.194 56.287 -0.202 0.000 1.074 308 K CB 0.408 32.701 32.500 -0.345 0.000 0.842 308 K HN 0.429 nan 8.250 nan 0.000 0.514 309 G N 2.203 110.980 108.800 -0.039 0.000 2.341 309 G HA2 -0.318 3.639 3.960 -0.005 0.000 0.292 309 G HA3 -0.318 3.639 3.960 -0.005 0.000 0.292 309 G C 0.101 175.038 174.900 0.061 0.000 1.021 309 G CA 0.469 45.586 45.100 0.029 0.000 0.905 309 G HN 0.448 nan 8.290 nan 0.000 0.508 310 Q N -1.729 118.110 119.800 0.065 0.000 2.318 310 Q HA 0.534 4.871 4.340 -0.005 0.000 0.371 310 Q C 0.714 176.802 176.000 0.147 0.000 0.896 310 Q CA -0.522 55.329 55.803 0.080 0.000 1.134 310 Q CB 0.352 29.110 28.738 0.033 0.000 1.329 310 Q HN 0.534 nan 8.270 nan 0.000 0.413 311 F N -0.792 119.146 119.950 -0.020 0.000 2.495 311 F HA 0.338 4.862 4.527 -0.004 0.000 0.271 311 F C -0.008 175.741 175.800 -0.086 0.000 0.889 311 F CA -0.310 57.642 58.000 -0.080 0.000 1.129 311 F CB 0.611 39.447 39.000 -0.272 0.000 1.169 311 F HN -0.017 nan 8.300 nan 0.000 0.781 312 F N 2.155 122.246 119.950 0.235 0.000 2.440 312 F HA 0.328 4.852 4.527 -0.004 0.000 0.323 312 F C 0.327 176.069 175.800 -0.096 0.000 1.192 312 F CA -0.394 57.588 58.000 -0.030 0.000 1.252 312 F CB 0.120 39.122 39.000 0.002 0.000 1.214 312 F HN -0.158 nan 8.300 nan 0.000 0.578 313 L N 0.000 121.239 121.223 0.027 0.000 2.949 313 L HA 0.000 4.337 4.340 -0.005 0.000 0.249 313 L CA 0.000 54.828 54.840 -0.021 0.000 0.813 313 L CB 0.000 42.017 42.059 -0.070 0.000 0.961 313 L HN 0.000 nan 8.230 nan 0.000 0.502