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 1wyv_1_G DATA FIRST_RESID 1 DATA SEQUENCE MDYTPHTEEE IREMLRRVGA ASLEDLFAHL PKEILSPPID LPEPLPEWKV DATA SEQUENCE LEELRRLAAQ NLPAHKAFLG GGVRSHHVPP VVQALAARGE FLTAYTPYQP DATA SEQUENCE EVSQGVLQAT FEYQTMIAEL AGLEIANASM YDGATALAEG VLLALRETGR DATA SEQUENCE MGVLVSQGVH PEYRAVLRAY LEAVGAKLLT LPLEGGRTPL PEVGEEVGAV DATA SEQUENCE VVQNPNFLGA LEDLGPFAEA AHGAGALFVA VADPLSLGVL KPPGAYGADI DATA SEQUENCE AVGDGQSLGL PMGFGGPHFG FLATKKAFVR QLPGRLVSET VDVEGRRGFI DATA SEQUENCE LTLQAREQYI RRAKAKSNIT TNAQLTALMG AMYLAALGPE GLREVALKSV DATA SEQUENCE EMAHKLHALL LEVPGVRPFT PKPFFNEFAL ALPKDPEAVR RALAERGFHG DATA SEQUENCE ATPVPREYGE NLALFAATEL HEEEDLLALR EALKEVL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.151 176.300 -0.249 0.000 1.140 1 M CA 0.000 55.193 55.300 -0.178 0.000 0.988 1 M CB 0.000 32.509 32.600 -0.152 0.000 1.302 2 D N -0.110 120.076 120.400 -0.357 0.000 2.671 2 D HA 0.279 4.919 4.640 0.000 0.000 0.273 2 D C -0.980 175.011 176.300 -0.516 0.000 1.264 2 D CA -0.520 53.237 54.000 -0.404 0.000 0.788 2 D CB 0.825 41.544 40.800 -0.135 0.000 1.324 2 D HN 0.317 nan 8.370 nan 0.000 0.424 3 Y N -0.106 120.211 120.300 0.027 0.000 2.555 3 Y HA 0.182 4.732 4.550 0.000 0.000 0.259 3 Y C 1.076 177.010 175.900 0.056 0.000 1.179 3 Y CA -0.161 57.960 58.100 0.035 0.000 1.230 3 Y CB 0.491 38.968 38.460 0.028 0.000 1.146 3 Y HN 0.384 nan 8.280 nan 0.000 0.526 4 T N -0.826 113.825 114.554 0.162 0.000 2.884 4 T HA 0.145 4.495 4.350 0.000 0.000 0.298 4 T C -1.173 173.637 174.700 0.184 0.000 0.998 4 T CA -1.506 60.722 62.100 0.213 0.000 1.124 4 T CB 1.646 70.639 68.868 0.209 0.000 0.931 4 T HN 0.082 nan 8.240 nan 0.000 0.531 5 P HA 0.021 nan 4.420 nan 0.000 0.230 5 P C -0.056 177.249 177.300 0.009 0.000 1.168 5 P CA 0.273 63.388 63.100 0.026 0.000 0.793 5 P CB -0.166 31.493 31.700 -0.069 0.000 0.851 6 H N 1.539 120.623 119.070 0.022 0.000 3.167 6 H HA 0.113 4.669 4.556 0.000 0.000 0.306 6 H C 1.143 176.479 175.328 0.013 0.000 0.965 6 H CA 0.721 56.779 56.048 0.017 0.000 1.408 6 H CB -0.326 29.447 29.762 0.019 0.000 1.406 6 H HN 0.157 nan 8.280 nan 0.000 0.576 7 T N 0.100 114.715 114.554 0.102 0.000 2.927 7 T HA 0.145 4.495 4.350 0.000 0.000 0.281 7 T C 1.240 175.981 174.700 0.068 0.000 0.998 7 T CA -1.091 61.047 62.100 0.064 0.000 1.019 7 T CB 1.453 70.341 68.868 0.033 0.000 1.061 7 T HN 0.518 nan 8.240 nan 0.000 0.518 8 E N 1.049 121.277 120.200 0.046 0.000 2.085 8 E HA -0.170 4.180 4.350 0.000 0.000 0.194 8 E C 2.195 178.816 176.600 0.036 0.000 0.994 8 E CA 1.589 58.012 56.400 0.038 0.000 0.801 8 E CB -0.198 29.517 29.700 0.026 0.000 0.743 8 E HN 0.884 nan 8.360 nan 0.000 0.453 9 E N 1.029 121.247 120.200 0.030 0.000 2.153 9 E HA -0.183 4.167 4.350 0.000 0.000 0.194 9 E C 1.698 178.317 176.600 0.031 0.000 0.988 9 E CA 0.897 57.312 56.400 0.025 0.000 0.811 9 E CB -0.374 29.337 29.700 0.018 0.000 0.746 9 E HN 0.437 nan 8.360 nan 0.000 0.466 10 E N 0.861 121.087 120.200 0.043 0.000 2.072 10 E HA -0.009 4.341 4.350 0.000 0.000 0.190 10 E C 2.384 179.031 176.600 0.078 0.000 0.982 10 E CA 0.665 57.097 56.400 0.054 0.000 0.803 10 E CB -0.117 29.615 29.700 0.053 0.000 0.755 10 E HN 0.241 nan 8.360 nan 0.000 0.453 11 I N 1.154 121.778 120.570 0.089 0.000 2.179 11 I HA -0.287 3.883 4.170 0.000 0.000 0.242 11 I C 2.792 178.932 176.117 0.039 0.000 1.088 11 I CA 1.089 62.430 61.300 0.069 0.000 1.357 11 I CB -0.280 37.746 38.000 0.045 0.000 1.051 11 I HN 0.055 nan 8.210 nan 0.000 0.409 12 R N 1.199 121.719 120.500 0.032 0.000 2.083 12 R HA -0.258 4.082 4.340 0.000 0.000 0.237 12 R C 2.254 178.565 176.300 0.019 0.000 1.137 12 R CA 2.146 58.259 56.100 0.021 0.000 0.951 12 R CB -0.317 29.995 30.300 0.019 0.000 0.851 12 R HN 0.387 nan 8.270 nan 0.000 0.434 13 E N 0.112 120.326 120.200 0.022 0.000 2.072 13 E HA -0.197 4.153 4.350 0.000 0.000 0.191 13 E C 2.053 178.663 176.600 0.017 0.000 0.985 13 E CA 1.494 57.905 56.400 0.017 0.000 0.801 13 E CB -0.022 29.689 29.700 0.018 0.000 0.750 13 E HN 0.433 nan 8.360 nan 0.000 0.452 14 M N 0.065 119.682 119.600 0.028 0.000 2.229 14 M HA -0.136 4.344 4.480 0.000 0.000 0.264 14 M C 2.138 178.444 176.300 0.010 0.000 1.063 14 M CA 0.569 55.885 55.300 0.026 0.000 1.114 14 M CB -0.033 32.598 32.600 0.051 0.000 1.387 14 M HN 0.156 nan 8.290 nan 0.000 0.420 15 L N 0.630 121.858 121.223 0.008 0.000 2.017 15 L HA -0.145 4.195 4.340 0.000 0.000 0.208 15 L C 2.473 179.340 176.870 -0.006 0.000 1.073 15 L CA 1.913 56.751 54.840 -0.003 0.000 0.745 15 L CB -0.825 41.235 42.059 0.001 0.000 0.894 15 L HN 0.235 nan 8.230 nan 0.000 0.432 16 R N -1.243 119.257 120.500 -0.001 0.000 2.096 16 R HA -0.186 4.154 4.340 0.000 0.000 0.235 16 R C 2.258 178.554 176.300 -0.006 0.000 1.127 16 R CA 1.078 57.176 56.100 -0.003 0.000 0.968 16 R CB -0.386 29.915 30.300 0.000 0.000 0.861 16 R HN 0.135 nan 8.270 nan 0.000 0.440 17 R N 1.356 121.853 120.500 -0.005 0.000 2.096 17 R HA -0.089 4.251 4.340 0.000 0.000 0.235 17 R C 1.860 178.152 176.300 -0.015 0.000 1.127 17 R CA 1.509 57.604 56.100 -0.007 0.000 0.968 17 R CB -0.348 29.950 30.300 -0.003 0.000 0.861 17 R HN 0.280 nan 8.270 nan 0.000 0.440 18 V N -2.544 117.358 119.914 -0.020 0.000 3.633 18 V HA 0.396 4.516 4.120 0.000 0.000 0.283 18 V C 0.914 176.986 176.094 -0.037 0.000 1.305 18 V CA 0.259 62.540 62.300 -0.032 0.000 1.153 18 V CB -0.474 31.324 31.823 -0.042 0.000 0.950 18 V HN 0.377 nan 8.190 nan 0.000 0.432 19 G N 0.153 108.937 108.800 -0.027 0.000 2.295 19 G HA2 0.016 3.976 3.960 0.000 0.000 0.287 19 G HA3 0.016 3.976 3.960 0.000 0.000 0.287 19 G C 0.156 175.039 174.900 -0.029 0.000 1.055 19 G CA 0.416 45.501 45.100 -0.026 0.000 0.922 19 G HN 1.740 nan 8.290 nan 0.000 0.503 20 A N -0.946 121.858 122.820 -0.026 0.000 2.350 20 A HA 0.971 5.291 4.320 0.000 0.000 0.324 20 A C 1.027 178.605 177.584 -0.010 0.000 1.118 20 A CA 0.391 52.414 52.037 -0.024 0.000 0.783 20 A CB 1.513 20.490 19.000 -0.037 0.000 1.236 20 A HN 1.660 nan 8.150 nan 0.000 0.457 21 A N 1.141 123.960 122.820 -0.001 0.000 2.072 21 A HA 0.446 4.766 4.320 0.000 0.000 0.216 21 A C 1.116 178.707 177.584 0.011 0.000 1.156 21 A CA 1.590 53.630 52.037 0.006 0.000 0.701 21 A CB -0.421 18.585 19.000 0.010 0.000 0.816 21 A HN 2.110 nan 8.150 nan 0.000 0.458 22 S N -3.363 112.346 115.700 0.015 0.000 2.669 22 S HA 0.438 4.908 4.470 0.000 0.000 0.266 22 S C 0.387 175.008 174.600 0.035 0.000 1.149 22 S CA -0.204 58.011 58.200 0.024 0.000 0.842 22 S CB -0.198 63.021 63.200 0.032 0.000 1.160 22 S HN 0.053 nan 8.310 nan 0.000 0.487 23 L N 0.944 122.199 121.223 0.053 0.000 2.056 23 L HA 0.042 4.382 4.340 0.000 0.000 0.207 23 L C 2.851 179.837 176.870 0.193 0.000 1.078 23 L CA 1.987 56.883 54.840 0.092 0.000 0.749 23 L CB -0.550 41.564 42.059 0.093 0.000 0.901 23 L HN 0.943 nan 8.230 nan 0.000 0.433 24 E N 0.386 120.688 120.200 0.170 0.000 2.153 24 E HA -0.297 4.053 4.350 0.000 0.000 0.194 24 E C 1.580 178.314 176.600 0.224 0.000 0.988 24 E CA 1.419 57.951 56.400 0.221 0.000 0.811 24 E CB 0.071 29.835 29.700 0.107 0.000 0.746 24 E HN 0.353 nan 8.360 nan 0.000 0.466 25 D N -0.219 120.253 120.400 0.119 0.000 2.310 25 D HA -0.101 4.539 4.640 0.000 0.000 0.212 25 D C 1.732 178.056 176.300 0.042 0.000 0.965 25 D CA 0.503 54.549 54.000 0.077 0.000 0.879 25 D CB 0.029 40.852 40.800 0.038 0.000 0.921 25 D HN 0.247 nan 8.370 nan 0.000 0.510 26 L N -0.938 120.268 121.223 -0.030 0.000 2.291 26 L HA -0.032 4.308 4.340 0.000 0.000 0.214 26 L C 1.004 177.668 176.870 -0.344 0.000 1.120 26 L CA 0.513 55.197 54.840 -0.260 0.000 0.799 26 L CB -0.170 41.593 42.059 -0.494 0.000 0.925 26 L HN 0.066 nan 8.230 nan 0.000 0.446 27 F N -1.260 118.746 119.950 0.093 0.000 2.653 27 F HA 0.279 4.806 4.527 -0.000 0.000 0.304 27 F C 2.113 177.920 175.800 0.010 0.000 1.092 27 F CA 0.170 58.188 58.000 0.030 0.000 1.279 27 F CB -0.422 38.565 39.000 -0.022 0.000 1.044 27 F HN -0.095 nan 8.300 nan 0.000 0.564 28 A N 0.499 123.447 122.820 0.214 0.000 2.024 28 A HA -0.237 4.083 4.320 0.000 0.000 0.220 28 A C 2.031 179.703 177.584 0.146 0.000 1.164 28 A CA 2.041 54.169 52.037 0.152 0.000 0.643 28 A CB -1.062 18.009 19.000 0.118 0.000 0.806 28 A HN 0.586 nan 8.150 nan 0.000 0.451 29 H N -0.888 118.200 119.070 0.029 0.000 2.547 29 H HA 0.264 4.820 4.556 0.000 0.000 0.266 29 H C 0.387 175.736 175.328 0.036 0.000 0.988 29 H CA -0.060 56.001 56.048 0.021 0.000 1.147 29 H CB -0.793 28.969 29.762 0.000 0.000 1.365 29 H HN 0.314 nan 8.280 nan 0.000 0.589 30 L N 3.269 124.328 121.223 -0.272 0.000 2.395 30 L HA 0.234 4.574 4.340 0.000 0.000 0.269 30 L C -1.859 174.973 176.870 -0.063 0.000 1.133 30 L CA -1.760 52.962 54.840 -0.196 0.000 0.812 30 L CB 0.830 42.806 42.059 -0.139 0.000 1.125 30 L HN 0.038 nan 8.230 nan 0.000 0.452 31 P HA -0.021 nan 4.420 nan 0.000 0.260 31 P C 0.133 177.423 177.300 -0.016 0.000 1.185 31 P CA -0.202 62.886 63.100 -0.019 0.000 0.763 31 P CB 0.269 31.959 31.700 -0.017 0.000 0.776 32 K N 4.444 124.840 120.400 -0.007 0.000 2.173 32 K HA -0.194 4.126 4.320 0.000 0.000 0.207 32 K C 1.190 177.783 176.600 -0.011 0.000 1.046 32 K CA 1.593 57.877 56.287 -0.005 0.000 0.929 32 K CB -0.740 31.761 32.500 0.001 0.000 0.720 32 K HN 0.485 nan 8.250 nan 0.000 0.453 33 E N 1.658 121.851 120.200 -0.012 0.000 2.338 33 E HA -0.129 4.221 4.350 0.000 0.000 0.197 33 E C 2.107 178.694 176.600 -0.020 0.000 1.007 33 E CA 1.055 57.447 56.400 -0.014 0.000 0.849 33 E CB -0.569 29.124 29.700 -0.011 0.000 0.774 33 E HN 0.733 nan 8.360 nan 0.000 0.506 34 I N -2.451 118.104 120.570 -0.025 0.000 3.941 34 I HA 0.217 4.387 4.170 0.000 0.000 0.321 34 I C 0.763 176.852 176.117 -0.046 0.000 1.284 34 I CA -0.406 60.874 61.300 -0.033 0.000 1.226 34 I CB 0.141 38.121 38.000 -0.032 0.000 1.045 34 I HN -0.177 nan 8.210 nan 0.000 0.420 35 L N 1.810 123.007 121.223 -0.044 0.000 2.452 35 L HA 0.216 4.556 4.340 0.000 0.000 0.267 35 L C 0.935 177.768 176.870 -0.061 0.000 1.188 35 L CA 0.055 54.859 54.840 -0.060 0.000 0.821 35 L CB 0.888 42.924 42.059 -0.038 0.000 1.102 35 L HN 0.309 nan 8.230 nan 0.000 0.470 36 S N 0.076 115.725 115.700 -0.084 0.000 3.682 36 S HA -0.094 4.376 4.470 0.000 0.000 0.354 36 S C -1.979 172.584 174.600 -0.060 0.000 1.034 36 S CA -0.147 58.009 58.200 -0.072 0.000 1.084 36 S CB -1.752 61.419 63.200 -0.049 0.000 0.903 36 S HN 0.578 nan 8.310 nan 0.000 0.470 37 P HA 0.262 nan 4.420 nan 0.000 0.271 37 P C -2.443 174.828 177.300 -0.049 0.000 1.216 37 P CA -1.099 61.970 63.100 -0.052 0.000 0.771 37 P CB 0.033 31.701 31.700 -0.054 0.000 0.864 38 P HA 0.237 nan 4.420 nan 0.000 0.263 38 P C -0.076 177.204 177.300 -0.034 0.000 1.601 38 P CA 0.055 63.134 63.100 -0.035 0.000 1.161 38 P CB -0.047 31.636 31.700 -0.028 0.000 1.730 39 I N 2.340 122.886 120.570 -0.040 0.000 2.474 39 I HA 0.126 4.296 4.170 0.000 0.000 0.287 39 I C 0.736 176.834 176.117 -0.033 0.000 1.048 39 I CA -0.182 61.095 61.300 -0.037 0.000 1.383 39 I CB 0.672 38.646 38.000 -0.043 0.000 1.412 39 I HN 0.190 nan 8.210 nan 0.000 0.531 40 D N 7.913 128.296 120.400 -0.028 0.000 2.392 40 D HA 0.570 5.210 4.640 0.000 0.000 0.228 40 D C -1.122 175.163 176.300 -0.026 0.000 1.074 40 D CA -0.118 53.866 54.000 -0.026 0.000 0.838 40 D CB 0.648 41.434 40.800 -0.022 0.000 1.067 40 D HN 0.316 nan 8.370 nan 0.000 0.511 41 L N 4.213 125.420 121.223 -0.028 0.000 2.422 41 L HA 0.531 4.871 4.340 0.000 0.000 0.264 41 L C -1.946 174.906 176.870 -0.030 0.000 0.984 41 L CA -1.955 52.868 54.840 -0.028 0.000 0.819 41 L CB 2.203 44.245 42.059 -0.029 0.000 1.330 41 L HN 0.376 nan 8.230 nan 0.000 0.410 42 P HA 0.074 nan 4.420 nan 0.000 0.266 42 P C -0.682 176.594 177.300 -0.041 0.000 1.195 42 P CA -0.350 62.728 63.100 -0.035 0.000 0.768 42 P CB 0.546 32.223 31.700 -0.037 0.000 0.838 43 E N 3.069 123.244 120.200 -0.042 0.000 2.442 43 E HA 0.050 4.400 4.350 0.000 0.000 0.262 43 E C -1.605 174.959 176.600 -0.060 0.000 1.004 43 E CA -1.041 55.331 56.400 -0.046 0.000 0.928 43 E CB -0.609 29.065 29.700 -0.043 0.000 0.937 43 E HN 0.433 nan 8.360 nan 0.000 0.446 44 P HA 0.052 nan 4.420 nan 0.000 0.267 44 P C -0.446 176.790 177.300 -0.107 0.000 1.200 44 P CA 0.324 63.377 63.100 -0.078 0.000 0.772 44 P CB 0.599 32.256 31.700 -0.072 0.000 0.855 45 L N 3.009 124.149 121.223 -0.138 0.000 2.388 45 L HA 0.488 4.828 4.340 0.000 0.000 0.264 45 L C -2.192 174.526 176.870 -0.253 0.000 0.998 45 L CA -2.448 52.263 54.840 -0.214 0.000 0.817 45 L CB 2.549 44.465 42.059 -0.239 0.000 1.338 45 L HN 0.278 nan 8.230 nan 0.000 0.414 46 P HA 0.074 nan 4.420 nan 0.000 0.274 46 P C 0.016 177.088 177.300 -0.380 0.000 1.237 46 P CA -0.409 62.491 63.100 -0.333 0.000 0.793 46 P CB 0.721 32.221 31.700 -0.332 0.000 0.977 47 E N 1.922 122.028 120.200 -0.158 0.000 2.097 47 E HA -0.220 4.130 4.350 0.000 0.000 0.196 47 E C 1.811 178.387 176.600 -0.040 0.000 1.000 47 E CA 1.330 57.697 56.400 -0.055 0.000 0.804 47 E CB -1.021 28.717 29.700 0.063 0.000 0.740 47 E HN 0.631 nan 8.360 nan 0.000 0.454 48 W N 1.996 123.302 121.300 0.009 0.000 2.374 48 W HA -0.037 4.623 4.660 0.000 0.000 0.288 48 W C 1.743 178.264 176.519 0.004 0.000 1.218 48 W CA 1.054 58.403 57.345 0.007 0.000 1.245 48 W CB -0.592 28.870 29.460 0.004 0.000 1.126 48 W HN 0.036 nan 8.180 nan 0.000 0.545 49 K N 1.581 121.455 120.400 -0.876 0.000 2.103 49 K HA -0.058 4.262 4.320 0.000 0.000 0.204 49 K C 1.997 178.404 176.600 -0.323 0.000 1.052 49 K CA 1.839 57.644 56.287 -0.803 0.000 0.945 49 K CB -0.753 31.017 32.500 -1.217 0.000 0.722 49 K HN 0.041 nan 8.250 nan 0.000 0.443 50 V N 1.197 120.953 119.914 -0.264 0.000 2.343 50 V HA -0.231 3.889 4.120 0.000 0.000 0.247 50 V C 2.291 178.348 176.094 -0.062 0.000 1.051 50 V CA 1.723 63.943 62.300 -0.132 0.000 1.036 50 V CB -0.409 31.359 31.823 -0.091 0.000 0.654 50 V HN 0.275 nan 8.190 nan 0.000 0.451 51 L N -0.291 120.918 121.223 -0.024 0.000 2.046 51 L HA -0.216 4.124 4.340 0.000 0.000 0.208 51 L C 2.615 179.503 176.870 0.029 0.000 1.077 51 L CA 1.957 56.811 54.840 0.023 0.000 0.747 51 L CB -0.552 41.546 42.059 0.066 0.000 0.896 51 L HN 0.428 nan 8.230 nan 0.000 0.432 52 E N -0.005 120.222 120.200 0.045 0.000 2.085 52 E HA -0.251 4.099 4.350 0.000 0.000 0.194 52 E C 2.023 178.633 176.600 0.016 0.000 0.994 52 E CA 1.258 57.693 56.400 0.059 0.000 0.801 52 E CB 0.188 29.951 29.700 0.105 0.000 0.743 52 E HN 0.383 nan 8.360 nan 0.000 0.453 53 E N 0.334 120.523 120.200 -0.019 0.000 2.106 53 E HA -0.160 4.190 4.350 0.000 0.000 0.192 53 E C 2.156 178.745 176.600 -0.019 0.000 0.984 53 E CA 0.452 56.836 56.400 -0.026 0.000 0.806 53 E CB -0.145 29.526 29.700 -0.048 0.000 0.750 53 E HN 0.307 nan 8.360 nan 0.000 0.458 54 L N 0.688 121.901 121.223 -0.016 0.000 2.046 54 L HA -0.127 4.213 4.340 0.000 0.000 0.208 54 L C 2.376 179.241 176.870 -0.009 0.000 1.077 54 L CA 1.428 56.260 54.840 -0.014 0.000 0.747 54 L CB -0.890 41.164 42.059 -0.008 0.000 0.896 54 L HN 0.117 nan 8.230 nan 0.000 0.432 55 R N -0.715 119.787 120.500 0.003 0.000 2.115 55 R HA -0.159 4.181 4.340 0.000 0.000 0.230 55 R C 2.312 178.613 176.300 0.002 0.000 1.111 55 R CA 1.006 57.110 56.100 0.007 0.000 0.976 55 R CB -0.166 30.146 30.300 0.021 0.000 0.870 55 R HN 0.264 nan 8.270 nan 0.000 0.445 56 R N 0.784 121.285 120.500 0.001 0.000 2.075 56 R HA -0.067 4.273 4.340 0.000 0.000 0.232 56 R C 2.142 178.435 176.300 -0.012 0.000 1.126 56 R CA 1.117 57.216 56.100 -0.002 0.000 0.963 56 R CB -0.115 30.184 30.300 -0.001 0.000 0.858 56 R HN 0.158 nan 8.270 nan 0.000 0.435 57 L N -0.276 120.935 121.223 -0.020 0.000 2.056 57 L HA -0.058 4.282 4.340 0.000 0.000 0.207 57 L C 2.565 179.412 176.870 -0.038 0.000 1.078 57 L CA 1.179 56.000 54.840 -0.032 0.000 0.749 57 L CB -0.440 41.594 42.059 -0.041 0.000 0.901 57 L HN 0.292 nan 8.230 nan 0.000 0.433 58 A N -0.116 122.685 122.820 -0.032 0.000 2.015 58 A HA -0.065 4.255 4.320 0.000 0.000 0.219 58 A C 2.419 179.991 177.584 -0.019 0.000 1.163 58 A CA 1.403 53.421 52.037 -0.032 0.000 0.646 58 A CB -0.516 18.471 19.000 -0.022 0.000 0.806 58 A HN 0.387 nan 8.150 nan 0.000 0.448 59 A N -0.753 122.060 122.820 -0.011 0.000 2.119 59 A HA -0.083 4.237 4.320 0.000 0.000 0.217 59 A C 1.939 179.520 177.584 -0.004 0.000 1.153 59 A CA 1.201 53.236 52.037 -0.003 0.000 0.692 59 A CB -0.349 18.651 19.000 0.001 0.000 0.799 59 A HN 0.653 nan 8.150 nan 0.000 0.458 60 Q N 0.103 119.896 119.800 -0.012 0.000 2.432 60 Q HA 0.021 4.361 4.340 0.000 0.000 0.205 60 Q C -0.249 175.745 176.000 -0.009 0.000 0.945 60 Q CA 0.063 55.859 55.803 -0.011 0.000 0.924 60 Q CB 0.063 28.789 28.738 -0.020 0.000 1.016 60 Q HN 0.564 nan 8.270 nan 0.000 0.503 61 N N 0.803 119.494 118.700 -0.014 0.000 2.495 61 N HA 0.230 4.970 4.740 0.000 0.000 0.280 61 N C -1.023 174.511 175.510 0.040 0.000 1.168 61 N CA -0.452 52.598 53.050 -0.001 0.000 0.978 61 N CB 1.202 39.666 38.487 -0.038 0.000 1.191 61 N HN -0.011 nan 8.380 nan 0.000 0.497 62 L N 3.185 124.467 121.223 0.098 0.000 2.264 62 L HA 0.436 4.776 4.340 0.000 0.000 0.287 62 L C -2.212 174.818 176.870 0.266 0.000 1.039 62 L CA -1.813 53.118 54.840 0.152 0.000 0.829 62 L CB 0.523 42.659 42.059 0.128 0.000 1.211 62 L HN 0.390 nan 8.230 nan 0.000 0.427 63 P HA 0.010 nan 4.420 nan 0.000 0.265 63 P C -0.313 177.094 177.300 0.179 0.000 1.187 63 P CA -0.040 63.138 63.100 0.131 0.000 0.766 63 P CB 0.863 32.619 31.700 0.094 0.000 0.820 64 A N 1.891 124.711 122.820 -0.001 0.000 2.462 64 A HA 0.046 4.366 4.320 0.000 0.000 0.261 64 A C 0.734 178.323 177.584 0.007 0.000 1.323 64 A CA -0.049 51.898 52.037 -0.151 0.000 0.913 64 A CB -1.175 17.611 19.000 -0.357 0.000 1.028 64 A HN 0.694 nan 8.150 nan 0.000 0.511 65 H N 1.235 120.299 119.070 -0.009 0.000 2.964 65 H HA 0.201 4.757 4.556 0.000 0.000 0.328 65 H C 0.576 175.877 175.328 -0.044 0.000 1.030 65 H CA 1.170 57.200 56.048 -0.031 0.000 1.445 65 H CB 0.067 29.822 29.762 -0.012 0.000 1.449 65 H HN 0.387 nan 8.280 nan 0.000 0.581 66 K N 1.299 121.321 120.400 -0.629 0.000 3.230 66 K HA -0.193 4.127 4.320 0.000 0.000 0.285 66 K C -0.147 176.302 176.600 -0.252 0.000 1.196 66 K CA 0.406 56.367 56.287 -0.544 0.000 0.838 66 K CB -1.601 30.631 32.500 -0.448 0.000 1.262 66 K HN 0.697 nan 8.250 nan 0.000 0.492 67 A N -0.030 122.682 122.820 -0.180 0.000 2.366 67 A HA 0.476 4.796 4.320 0.000 0.000 0.249 67 A C 0.477 177.940 177.584 -0.201 0.000 1.084 67 A CA 0.080 52.078 52.037 -0.065 0.000 0.794 67 A CB 0.041 19.027 19.000 -0.023 0.000 1.034 67 A HN 0.268 nan 8.150 nan 0.000 0.491 68 F N -0.051 119.990 119.950 0.153 0.000 2.639 68 F HA 0.269 4.796 4.527 0.000 0.000 0.302 68 F C 0.285 176.087 175.800 0.003 0.000 1.097 68 F CA -0.057 57.987 58.000 0.073 0.000 1.294 68 F CB -0.071 38.982 39.000 0.089 0.000 1.027 68 F HN 0.258 nan 8.300 nan 0.000 0.550 69 L N -0.018 121.263 121.223 0.097 0.000 2.426 69 L HA 0.454 4.794 4.340 0.000 0.000 0.271 69 L C 1.034 177.872 176.870 -0.055 0.000 1.169 69 L CA -0.025 54.806 54.840 -0.015 0.000 0.836 69 L CB 0.397 42.451 42.059 -0.009 0.000 1.112 69 L HN 0.241 nan 8.230 nan 0.000 0.465 70 G N -0.202 108.529 108.800 -0.115 0.000 3.302 70 G HA2 0.525 4.485 3.960 0.000 0.000 0.170 70 G HA3 0.525 4.485 3.960 0.000 0.000 0.170 70 G C 0.401 175.247 174.900 -0.090 0.000 1.119 70 G CA -0.197 44.836 45.100 -0.111 0.000 0.826 70 G HN 0.918 nan 8.290 nan 0.000 0.646 71 G N -1.694 107.021 108.800 -0.140 0.000 2.171 71 G HA2 0.320 4.280 3.960 0.000 0.000 0.238 71 G HA3 0.320 4.280 3.960 0.000 0.000 0.238 71 G C 1.380 176.426 174.900 0.242 0.000 1.039 71 G CA 1.084 46.171 45.100 -0.021 0.000 0.759 71 G HN 2.480 nan 8.290 nan 0.000 0.501 72 G N -3.124 105.756 108.800 0.133 0.000 2.278 72 G HA2 0.070 4.030 3.960 0.000 0.000 0.210 72 G HA3 0.070 4.030 3.960 0.000 0.000 0.210 72 G C 0.239 175.183 174.900 0.073 0.000 1.000 72 G CA 0.369 45.554 45.100 0.142 0.000 0.635 72 G HN 1.662 nan 8.290 nan 0.000 0.495 73 V N 1.539 121.484 119.914 0.053 0.000 2.656 73 V HA 0.838 4.958 4.120 0.000 0.000 0.307 73 V C 0.133 176.222 176.094 -0.007 0.000 1.051 73 V CA -0.770 61.536 62.300 0.010 0.000 0.893 73 V CB 1.724 33.556 31.823 0.015 0.000 0.999 73 V HN 0.451 nan 8.190 nan 0.000 0.426 74 R N 1.648 122.134 120.500 -0.023 0.000 2.808 74 R HA 0.516 4.856 4.340 0.000 0.000 0.272 74 R C -0.582 175.597 176.300 -0.202 0.000 0.995 74 R CA -0.765 55.258 56.100 -0.129 0.000 0.917 74 R CB 2.024 32.199 30.300 -0.209 0.000 1.217 74 R HN 0.587 nan 8.270 nan 0.000 0.471 75 S N 1.626 117.166 115.700 -0.267 0.000 3.530 75 S HA 0.131 4.601 4.470 0.000 0.000 0.279 75 S C -0.342 174.068 174.600 -0.316 0.000 1.280 75 S CA -0.393 57.667 58.200 -0.234 0.000 0.946 75 S CB -0.489 62.565 63.200 -0.244 0.000 1.501 75 S HN 0.355 nan 8.310 nan 0.000 0.498 76 H N 1.921 120.960 119.070 -0.052 0.000 2.499 76 H HA 0.194 4.750 4.556 0.000 0.000 0.352 76 H C 0.117 175.472 175.328 0.046 0.000 1.237 76 H CA -0.416 55.624 56.048 -0.013 0.000 1.343 76 H CB 0.619 30.368 29.762 -0.021 0.000 1.578 76 H HN 0.638 nan 8.280 nan 0.000 0.577 77 H N 0.562 119.731 119.070 0.166 0.000 2.848 77 H HA 0.147 4.703 4.556 0.000 0.000 0.317 77 H C -0.871 174.542 175.328 0.142 0.000 1.046 77 H CA -0.149 55.984 56.048 0.141 0.000 1.470 77 H CB 0.135 29.982 29.762 0.142 0.000 1.483 77 H HN 0.110 nan 8.280 nan 0.000 0.548 78 V N 9.590 129.260 119.914 -0.406 0.000 2.288 78 V HA 0.220 4.340 4.120 0.000 0.000 0.266 78 V C -1.967 173.797 176.094 -0.549 0.000 1.048 78 V CA -1.630 60.476 62.300 -0.324 0.000 0.842 78 V CB 0.670 32.411 31.823 -0.137 0.000 1.064 78 V HN 0.848 nan 8.190 nan 0.000 0.472 79 P HA 0.154 nan 4.420 nan 0.000 0.266 79 P C -2.014 175.259 177.300 -0.045 0.000 1.215 79 P CA -1.297 61.696 63.100 -0.179 0.000 0.763 79 P CB 0.994 32.739 31.700 0.074 0.000 0.806 80 P HA -0.151 nan 4.420 nan 0.000 0.218 80 P C 1.534 178.851 177.300 0.029 0.000 1.148 80 P CA 0.707 63.818 63.100 0.017 0.000 0.822 80 P CB 0.057 31.780 31.700 0.039 0.000 0.784 81 V N -0.056 119.884 119.914 0.043 0.000 2.490 81 V HA -0.168 3.952 4.120 0.000 0.000 0.250 81 V C 2.440 178.554 176.094 0.034 0.000 1.061 81 V CA 1.586 63.909 62.300 0.039 0.000 1.064 81 V CB -0.758 31.090 31.823 0.041 0.000 0.670 81 V HN -0.094 nan 8.190 nan 0.000 0.461 82 V N -0.183 119.753 119.914 0.037 0.000 2.323 82 V HA -0.183 3.937 4.120 0.000 0.000 0.244 82 V C 2.619 178.721 176.094 0.014 0.000 1.041 82 V CA 1.975 64.294 62.300 0.031 0.000 1.025 82 V CB -0.694 31.169 31.823 0.067 0.000 0.656 82 V HN 0.500 nan 8.190 nan 0.000 0.451 83 Q N -0.051 119.756 119.800 0.012 0.000 2.170 83 Q HA -0.123 4.217 4.340 0.000 0.000 0.203 83 Q C 2.356 178.369 176.000 0.022 0.000 0.976 83 Q CA 1.809 57.617 55.803 0.009 0.000 0.858 83 Q CB -0.645 28.095 28.738 0.002 0.000 0.907 83 Q HN 0.660 nan 8.270 nan 0.000 0.433 84 A N 0.568 123.405 122.820 0.028 0.000 1.897 84 A HA -0.082 4.238 4.320 0.000 0.000 0.215 84 A C 2.218 179.837 177.584 0.058 0.000 1.181 84 A CA 0.838 52.898 52.037 0.038 0.000 0.620 84 A CB -0.550 18.472 19.000 0.036 0.000 0.821 84 A HN 0.304 nan 8.150 nan 0.000 0.443 85 L N -0.913 120.346 121.223 0.060 0.000 2.093 85 L HA -0.110 4.230 4.340 0.000 0.000 0.208 85 L C 2.829 179.783 176.870 0.140 0.000 1.085 85 L CA 1.010 55.910 54.840 0.101 0.000 0.755 85 L CB -0.447 41.650 42.059 0.063 0.000 0.904 85 L HN 0.411 nan 8.230 nan 0.000 0.435 86 A N -0.309 122.538 122.820 0.045 0.000 2.206 86 A HA 0.191 4.511 4.320 0.000 0.000 0.211 86 A C 2.240 179.879 177.584 0.092 0.000 1.158 86 A CA 1.012 53.061 52.037 0.020 0.000 0.761 86 A CB -0.349 18.615 19.000 -0.059 0.000 0.801 86 A HN 0.352 nan 8.150 nan 0.000 0.473 87 A N -0.398 122.476 122.820 0.091 0.000 2.178 87 A HA 0.155 4.475 4.320 0.000 0.000 0.211 87 A C 1.054 178.688 177.584 0.084 0.000 1.157 87 A CA -0.339 51.741 52.037 0.071 0.000 0.780 87 A CB -0.085 18.943 19.000 0.046 0.000 0.828 87 A HN 0.320 nan 8.150 nan 0.000 0.476 88 R N 0.343 120.922 120.500 0.133 0.000 2.502 88 R HA 0.017 4.357 4.340 0.000 0.000 0.292 88 R C 1.493 177.810 176.300 0.029 0.000 0.998 88 R CA 0.552 56.696 56.100 0.074 0.000 1.056 88 R CB -0.101 30.245 30.300 0.076 0.000 0.939 88 R HN 0.324 nan 8.270 nan 0.000 0.411 89 G N 3.354 112.146 108.800 -0.013 0.000 2.503 89 G HA2 -0.335 3.625 3.960 0.000 0.000 0.221 89 G HA3 -0.335 3.625 3.960 0.000 0.000 0.221 89 G C 1.030 175.900 174.900 -0.050 0.000 1.131 89 G CA 0.804 45.891 45.100 -0.023 0.000 0.756 89 G HN 0.584 nan 8.290 nan 0.000 0.572 90 E N -0.091 120.024 120.200 -0.141 0.000 2.106 90 E HA -0.018 4.332 4.350 0.000 0.000 0.192 90 E C 2.068 178.571 176.600 -0.162 0.000 0.984 90 E CA 0.857 57.131 56.400 -0.210 0.000 0.806 90 E CB -0.274 29.204 29.700 -0.370 0.000 0.750 90 E HN 0.505 nan 8.360 nan 0.000 0.458 91 F N -0.239 119.697 119.950 -0.023 0.000 2.234 91 F HA 0.033 4.560 4.527 0.000 0.000 0.296 91 F C 1.947 177.726 175.800 -0.035 0.000 1.089 91 F CA 0.261 58.240 58.000 -0.036 0.000 1.343 91 F CB -0.506 38.468 39.000 -0.043 0.000 1.040 91 F HN 0.035 nan 8.300 nan 0.000 0.498 92 L N 0.046 121.363 121.223 0.156 0.000 2.027 92 L HA -0.114 4.226 4.340 0.000 0.000 0.206 92 L C 2.357 179.256 176.870 0.049 0.000 1.074 92 L CA 2.334 57.222 54.840 0.080 0.000 0.745 92 L CB -1.048 41.044 42.059 0.055 0.000 0.898 92 L HN 0.291 nan 8.230 nan 0.000 0.433 93 T N -3.072 111.503 114.554 0.035 0.000 3.069 93 T HA 0.482 4.832 4.350 0.000 0.000 0.252 93 T C 0.755 175.485 174.700 0.049 0.000 1.053 93 T CA 0.091 62.209 62.100 0.030 0.000 0.964 93 T CB -0.366 68.506 68.868 0.007 0.000 1.005 93 T HN 0.301 nan 8.240 nan 0.000 0.532 94 A N 0.985 123.837 122.820 0.053 0.000 2.366 94 A HA 0.579 4.899 4.320 0.000 0.000 0.249 94 A C -0.400 177.253 177.584 0.114 0.000 1.084 94 A CA -0.586 51.492 52.037 0.068 0.000 0.794 94 A CB 0.154 19.181 19.000 0.044 0.000 1.034 94 A HN 0.542 nan 8.150 nan 0.000 0.491 95 Y N 0.120 120.410 120.300 -0.015 0.000 2.596 95 Y HA 0.450 5.000 4.550 0.000 0.000 0.326 95 Y C 0.900 176.754 175.900 -0.077 0.000 1.167 95 Y CA -0.377 57.708 58.100 -0.025 0.000 1.246 95 Y CB 0.856 39.318 38.460 0.003 0.000 1.347 95 Y HN 0.704 nan 8.280 nan 0.000 0.515 96 T N 5.946 119.868 114.554 -1.054 0.000 2.891 96 T HA 0.042 4.392 4.350 0.000 0.000 0.296 96 T C -2.430 171.921 174.700 -0.582 0.000 1.025 96 T CA -0.397 61.178 62.100 -0.875 0.000 1.149 96 T CB -0.087 68.035 68.868 -1.242 0.000 1.007 96 T HN 0.371 nan 8.240 nan 0.000 0.528 97 P HA 0.081 nan 4.420 nan 0.000 0.241 97 P C -0.249 176.958 177.300 -0.155 0.000 1.760 97 P CA -0.074 62.911 63.100 -0.191 0.000 1.081 97 P CB -0.171 31.467 31.700 -0.104 0.000 1.975 98 Y N 0.005 120.329 120.300 0.040 0.000 2.517 98 Y HA 0.092 4.642 4.550 0.000 0.000 0.281 98 Y C 1.592 177.510 175.900 0.031 0.000 1.125 98 Y CA 0.635 58.754 58.100 0.032 0.000 1.283 98 Y CB 0.058 38.541 38.460 0.038 0.000 1.042 98 Y HN 0.197 nan 8.280 nan 0.000 0.547 99 Q N 1.450 121.353 119.800 0.172 0.000 2.626 99 Q HA 0.223 4.563 4.340 0.000 0.000 0.239 99 Q C -1.785 174.261 176.000 0.076 0.000 1.101 99 Q CA -2.566 53.302 55.803 0.109 0.000 0.918 99 Q CB 0.748 29.541 28.738 0.092 0.000 1.151 99 Q HN 0.048 nan 8.270 nan 0.000 0.531 100 P HA -0.243 nan 4.420 nan 0.000 0.217 100 P C 0.132 177.462 177.300 0.049 0.000 1.151 100 P CA 1.331 64.468 63.100 0.061 0.000 0.849 100 P CB 0.618 32.355 31.700 0.061 0.000 0.787 101 E N 0.025 120.249 120.200 0.039 0.000 2.160 101 E HA -0.128 4.222 4.350 0.000 0.000 0.195 101 E C 1.797 178.414 176.600 0.027 0.000 0.991 101 E CA 1.597 58.014 56.400 0.028 0.000 0.810 101 E CB -0.787 28.925 29.700 0.021 0.000 0.742 101 E HN 0.336 nan 8.360 nan 0.000 0.466 102 V N -3.235 116.696 119.914 0.029 0.000 3.483 102 V HA 0.295 4.415 4.120 0.000 0.000 0.301 102 V C 0.613 176.719 176.094 0.020 0.000 1.389 102 V CA -0.029 62.283 62.300 0.020 0.000 1.101 102 V CB 0.627 32.461 31.823 0.017 0.000 0.971 102 V HN 0.003 nan 8.190 nan 0.000 0.434 103 S N 0.672 116.392 115.700 0.033 0.000 2.751 103 S HA 0.292 4.762 4.470 0.000 0.000 0.247 103 S C 1.085 175.717 174.600 0.054 0.000 1.103 103 S CA -0.404 57.816 58.200 0.033 0.000 1.090 103 S CB 0.514 63.731 63.200 0.029 0.000 0.928 103 S HN 0.438 nan 8.310 nan 0.000 0.502 104 Q N 1.136 120.975 119.800 0.065 0.000 2.291 104 Q HA 0.010 4.350 4.340 0.000 0.000 0.205 104 Q C 2.087 178.142 176.000 0.092 0.000 0.970 104 Q CA 1.223 57.090 55.803 0.106 0.000 0.876 104 Q CB -0.532 28.275 28.738 0.114 0.000 0.935 104 Q HN 0.659 nan 8.270 nan 0.000 0.455 105 G N 0.190 109.032 108.800 0.070 0.000 2.433 105 G HA2 -0.180 3.780 3.960 0.000 0.000 0.216 105 G HA3 -0.180 3.780 3.960 0.000 0.000 0.216 105 G C 1.581 176.591 174.900 0.185 0.000 1.186 105 G CA 0.885 46.049 45.100 0.107 0.000 0.779 105 G HN 0.275 nan 8.290 nan 0.000 0.543 106 V N 0.625 120.634 119.914 0.158 0.000 2.379 106 V HA -0.043 4.077 4.120 0.000 0.000 0.245 106 V C 2.817 178.932 176.094 0.035 0.000 1.044 106 V CA 0.867 63.247 62.300 0.133 0.000 1.036 106 V CB -0.322 31.554 31.823 0.089 0.000 0.664 106 V HN 0.178 nan 8.190 nan 0.000 0.453 107 L N -0.048 121.196 121.223 0.035 0.000 2.012 107 L HA -0.211 4.129 4.340 0.000 0.000 0.210 107 L C 2.494 179.313 176.870 -0.084 0.000 1.073 107 L CA 2.039 56.898 54.840 0.032 0.000 0.748 107 L CB -1.349 40.779 42.059 0.114 0.000 0.891 107 L HN 0.459 nan 8.230 nan 0.000 0.431 108 Q N -1.047 118.641 119.800 -0.186 0.000 2.046 108 Q HA -0.178 4.162 4.340 0.000 0.000 0.200 108 Q C 2.186 178.037 176.000 -0.248 0.000 0.975 108 Q CA 1.775 57.246 55.803 -0.554 0.000 0.836 108 Q CB -0.005 28.518 28.738 -0.358 0.000 0.896 108 Q HN 0.477 nan 8.270 nan 0.000 0.428 109 A N 0.034 122.797 122.820 -0.096 0.000 1.917 109 A HA -0.211 4.109 4.320 0.000 0.000 0.219 109 A C 2.206 179.757 177.584 -0.054 0.000 1.182 109 A CA 2.084 54.075 52.037 -0.077 0.000 0.633 109 A CB -1.034 17.902 19.000 -0.107 0.000 0.819 109 A HN 0.511 nan 8.150 nan 0.000 0.448 110 T N -1.049 113.485 114.554 -0.033 0.000 2.777 110 T HA -0.094 4.256 4.350 0.000 0.000 0.266 110 T C 1.595 176.361 174.700 0.109 0.000 1.040 110 T CA 1.412 63.536 62.100 0.039 0.000 1.141 110 T CB -0.375 68.507 68.868 0.022 0.000 0.868 110 T HN 0.504 nan 8.240 nan 0.000 0.444 111 F N 2.247 122.119 119.950 -0.129 0.000 2.134 111 F HA -0.095 4.432 4.527 0.000 0.000 0.299 111 F C 2.200 177.929 175.800 -0.118 0.000 1.097 111 F CA 1.373 59.289 58.000 -0.140 0.000 1.264 111 F CB -0.268 38.512 39.000 -0.367 0.000 1.001 111 F HN 0.188 nan 8.300 nan 0.000 0.479 112 E N -1.063 119.080 120.200 -0.095 0.000 2.106 112 E HA -0.265 4.085 4.350 0.000 0.000 0.192 112 E C 2.004 178.511 176.600 -0.155 0.000 0.984 112 E CA 1.440 57.747 56.400 -0.155 0.000 0.806 112 E CB -0.646 29.021 29.700 -0.054 0.000 0.750 112 E HN 0.645 nan 8.360 nan 0.000 0.458 113 Y N 2.193 122.382 120.300 -0.184 0.000 2.114 113 Y HA -0.269 4.281 4.550 0.000 0.000 0.284 113 Y C 2.143 177.945 175.900 -0.164 0.000 1.143 113 Y CA 1.910 59.909 58.100 -0.168 0.000 1.135 113 Y CB -0.300 38.057 38.460 -0.173 0.000 0.980 113 Y HN -0.040 nan 8.280 nan 0.000 0.499 114 Q N -0.429 119.140 119.800 -0.384 0.000 2.061 114 Q HA -0.199 4.141 4.340 0.000 0.000 0.204 114 Q C 2.168 177.904 176.000 -0.440 0.000 0.984 114 Q CA 2.543 58.078 55.803 -0.446 0.000 0.846 114 Q CB -0.438 28.166 28.738 -0.223 0.000 0.902 114 Q HN 0.487 nan 8.270 nan 0.000 0.421 115 T N 1.095 115.373 114.554 -0.460 0.000 2.607 115 T HA -0.207 4.143 4.350 0.000 0.000 0.267 115 T C 1.862 176.382 174.700 -0.300 0.000 1.049 115 T CA 1.592 63.453 62.100 -0.398 0.000 1.162 115 T CB -0.246 68.360 68.868 -0.437 0.000 0.863 115 T HN 0.242 nan 8.240 nan 0.000 0.424 116 M N 0.242 119.669 119.600 -0.288 0.000 2.080 116 M HA -0.085 4.395 4.480 0.000 0.000 0.260 116 M C 2.257 178.388 176.300 -0.281 0.000 1.068 116 M CA 1.455 56.616 55.300 -0.231 0.000 1.109 116 M CB -0.503 31.997 32.600 -0.168 0.000 1.342 116 M HN 0.160 nan 8.290 nan 0.000 0.405 117 I N 0.544 120.863 120.570 -0.418 0.000 2.163 117 I HA -0.246 3.924 4.170 0.000 0.000 0.243 117 I C 2.749 178.667 176.117 -0.332 0.000 1.085 117 I CA 1.731 62.757 61.300 -0.457 0.000 1.347 117 I CB -1.635 36.008 38.000 -0.596 0.000 1.044 117 I HN 0.243 nan 8.210 nan 0.000 0.408 118 A N 0.344 123.002 122.820 -0.269 0.000 1.883 118 A HA -0.216 4.104 4.320 0.000 0.000 0.217 118 A C 2.227 179.723 177.584 -0.146 0.000 1.186 118 A CA 1.634 53.568 52.037 -0.172 0.000 0.624 118 A CB -0.524 18.381 19.000 -0.158 0.000 0.822 118 A HN 0.379 nan 8.150 nan 0.000 0.444 119 E N -0.633 119.472 120.200 -0.158 0.000 2.077 119 E HA -0.167 4.183 4.350 0.000 0.000 0.193 119 E C 2.002 178.530 176.600 -0.119 0.000 0.989 119 E CA 1.057 57.383 56.400 -0.123 0.000 0.800 119 E CB -0.522 29.107 29.700 -0.119 0.000 0.746 119 E HN 0.461 nan 8.360 nan 0.000 0.452 120 L N 0.887 122.014 121.223 -0.159 0.000 2.012 120 L HA -0.131 4.209 4.340 0.000 0.000 0.210 120 L C 2.158 178.945 176.870 -0.139 0.000 1.073 120 L CA 2.137 56.881 54.840 -0.159 0.000 0.748 120 L CB -0.794 41.126 42.059 -0.232 0.000 0.891 120 L HN 0.057 nan 8.230 nan 0.000 0.431 121 A N -1.397 121.327 122.820 -0.160 0.000 2.167 121 A HA 0.292 4.612 4.320 0.000 0.000 0.214 121 A C 1.669 179.238 177.584 -0.026 0.000 1.151 121 A CA 0.803 52.796 52.037 -0.073 0.000 0.735 121 A CB -0.927 18.049 19.000 -0.040 0.000 0.802 121 A HN 0.810 nan 8.150 nan 0.000 0.467 122 G N -1.804 106.967 108.800 -0.049 0.000 2.176 122 G HA2 -0.166 3.794 3.960 0.000 0.000 0.252 122 G HA3 -0.166 3.794 3.960 0.000 0.000 0.252 122 G C -0.072 174.821 174.900 -0.012 0.000 1.024 122 G CA 0.513 45.595 45.100 -0.030 0.000 0.755 122 G HN 0.309 nan 8.290 nan 0.000 0.507 123 L N -1.033 120.178 121.223 -0.019 0.000 2.391 123 L HA 0.641 4.981 4.340 0.000 0.000 0.266 123 L C 1.503 178.356 176.870 -0.028 0.000 1.035 123 L CA -0.274 54.564 54.840 -0.003 0.000 0.877 123 L CB 0.497 42.570 42.059 0.024 0.000 1.504 123 L HN 0.249 nan 8.230 nan 0.000 0.503 124 E N -0.037 120.150 120.200 -0.021 0.000 2.244 124 E HA 0.198 4.548 4.350 0.000 0.000 0.196 124 E C -0.085 176.490 176.600 -0.042 0.000 0.939 124 E CA 0.402 56.780 56.400 -0.035 0.000 0.884 124 E CB 0.870 30.550 29.700 -0.034 0.000 0.850 124 E HN 0.541 nan 8.360 nan 0.000 0.481 125 I N -2.477 118.079 120.570 -0.023 0.000 3.042 125 I HA 0.822 4.992 4.170 0.000 0.000 0.310 125 I C -1.353 174.754 176.117 -0.016 0.000 1.117 125 I CA -1.450 59.836 61.300 -0.023 0.000 1.003 125 I CB 2.458 40.465 38.000 0.012 0.000 1.228 125 I HN -0.150 nan 8.210 nan 0.000 0.443 126 A N 2.440 125.244 122.820 -0.028 0.000 2.566 126 A HA 0.621 4.941 4.320 0.000 0.000 0.297 126 A C -1.049 176.549 177.584 0.023 0.000 1.059 126 A CA -0.752 51.279 52.037 -0.010 0.000 0.691 126 A CB 1.416 20.357 19.000 -0.099 0.000 1.282 126 A HN 0.955 nan 8.150 nan 0.000 0.401 127 N N 0.962 119.708 118.700 0.076 0.000 2.322 127 N HA 0.468 5.208 4.740 0.000 0.000 0.270 127 N C 1.090 176.709 175.510 0.181 0.000 1.286 127 N CA 0.176 53.287 53.050 0.102 0.000 0.948 127 N CB 0.430 38.966 38.487 0.082 0.000 1.164 127 N HN 0.874 nan 8.380 nan 0.000 0.551 128 A N -1.098 121.819 122.820 0.162 0.000 2.121 128 A HA 0.183 4.503 4.320 0.000 0.000 0.218 128 A C 0.186 177.883 177.584 0.188 0.000 1.154 128 A CA 1.218 53.367 52.037 0.186 0.000 0.679 128 A CB -1.258 17.774 19.000 0.055 0.000 0.795 128 A HN 1.580 nan 8.150 nan 0.000 0.458 129 S N -3.540 112.281 115.700 0.203 0.000 2.799 129 S HA 0.246 4.716 4.470 0.000 0.000 0.267 129 S C -0.974 173.669 174.600 0.072 0.000 0.736 129 S CA -0.676 57.639 58.200 0.192 0.000 1.070 129 S CB -0.459 62.736 63.200 -0.009 0.000 1.339 129 S HN 0.347 nan 8.310 nan 0.000 0.507 130 M N 1.268 120.918 119.600 0.083 0.000 2.761 130 M HA 0.469 4.949 4.480 0.000 0.000 0.305 130 M C 0.378 176.677 176.300 -0.002 0.000 1.235 130 M CA -0.818 54.426 55.300 -0.093 0.000 0.850 130 M CB 0.615 33.142 32.600 -0.123 0.000 1.744 130 M HN 0.867 nan 8.290 nan 0.000 0.480 131 Y N 1.052 121.350 120.300 -0.003 0.000 2.128 131 Y HA -0.187 4.363 4.550 0.000 0.000 0.284 131 Y C 1.257 177.140 175.900 -0.029 0.000 1.154 131 Y CA 1.137 59.229 58.100 -0.012 0.000 1.149 131 Y CB -0.455 37.984 38.460 -0.034 0.000 0.976 131 Y HN 0.675 nan 8.280 nan 0.000 0.505 132 D N -4.071 116.367 120.400 0.062 0.000 2.779 132 D HA 0.192 4.832 4.640 0.000 0.000 0.331 132 D C 1.276 177.438 176.300 -0.230 0.000 1.331 132 D CA 0.031 53.990 54.000 -0.069 0.000 0.866 132 D CB 0.518 41.271 40.800 -0.079 0.000 1.409 132 D HN 0.085 nan 8.370 nan 0.000 0.486 133 G N 0.081 108.692 108.800 -0.316 0.000 2.433 133 G HA2 -0.062 3.898 3.960 0.000 0.000 0.216 133 G HA3 -0.062 3.898 3.960 0.000 0.000 0.216 133 G C 1.454 175.875 174.900 -0.799 0.000 1.186 133 G CA 2.240 47.074 45.100 -0.443 0.000 0.779 133 G HN 0.747 nan 8.290 nan 0.000 0.543 134 A N -0.081 121.982 122.820 -1.262 0.000 1.883 134 A HA -0.082 4.238 4.320 0.000 0.000 0.217 134 A C 2.497 179.737 177.584 -0.574 0.000 1.186 134 A CA 2.611 53.992 52.037 -1.093 0.000 0.624 134 A CB -1.136 17.370 19.000 -0.823 0.000 0.822 134 A HN 0.317 nan 8.150 nan 0.000 0.444 135 T N -0.384 113.906 114.554 -0.440 0.000 2.788 135 T HA 0.038 4.388 4.350 0.000 0.000 0.268 135 T C 2.119 176.586 174.700 -0.387 0.000 1.044 135 T CA 1.478 63.345 62.100 -0.388 0.000 1.139 135 T CB -0.366 68.433 68.868 -0.114 0.000 0.867 135 T HN 0.591 nan 8.240 nan 0.000 0.454 136 A N 1.103 123.721 122.820 -0.337 0.000 1.902 136 A HA -0.005 4.315 4.320 0.000 0.000 0.217 136 A C 2.183 179.598 177.584 -0.281 0.000 1.181 136 A CA 1.345 53.207 52.037 -0.292 0.000 0.623 136 A CB -0.762 18.044 19.000 -0.323 0.000 0.818 136 A HN 0.463 nan 8.150 nan 0.000 0.443 137 L N -0.070 120.975 121.223 -0.296 0.000 1.994 137 L HA -0.078 4.262 4.340 0.000 0.000 0.208 137 L C 2.644 179.381 176.870 -0.222 0.000 1.071 137 L CA 2.405 57.116 54.840 -0.215 0.000 0.745 137 L CB -0.920 41.057 42.059 -0.135 0.000 0.892 137 L HN 0.329 nan 8.230 nan 0.000 0.431 138 A N -0.805 121.819 122.820 -0.327 0.000 1.908 138 A HA -0.202 4.118 4.320 0.000 0.000 0.218 138 A C 2.165 179.595 177.584 -0.256 0.000 1.181 138 A CA 1.836 53.659 52.037 -0.356 0.000 0.627 138 A CB -0.644 17.871 19.000 -0.808 0.000 0.818 138 A HN 0.601 nan 8.150 nan 0.000 0.445 139 E N -0.640 119.394 120.200 -0.276 0.000 2.106 139 E HA -0.111 4.239 4.350 0.000 0.000 0.192 139 E C 2.179 178.714 176.600 -0.109 0.000 0.984 139 E CA 1.048 57.356 56.400 -0.152 0.000 0.806 139 E CB -0.547 29.059 29.700 -0.156 0.000 0.750 139 E HN 0.602 nan 8.360 nan 0.000 0.458 140 G N 0.999 109.722 108.800 -0.129 0.000 2.408 140 G HA2 -0.177 3.783 3.960 0.000 0.000 0.217 140 G HA3 -0.177 3.783 3.960 0.000 0.000 0.217 140 G C 1.824 176.670 174.900 -0.091 0.000 1.150 140 G CA 0.609 45.649 45.100 -0.101 0.000 0.776 140 G HN 0.145 nan 8.290 nan 0.000 0.542 141 V N 0.866 120.725 119.914 -0.092 0.000 2.358 141 V HA -0.065 4.055 4.120 0.000 0.000 0.246 141 V C 2.883 178.947 176.094 -0.052 0.000 1.047 141 V CA 1.205 63.465 62.300 -0.068 0.000 1.035 141 V CB -0.345 31.444 31.823 -0.056 0.000 0.658 141 V HN 0.330 nan 8.190 nan 0.000 0.452 142 L N -0.618 120.580 121.223 -0.042 0.000 2.131 142 L HA -0.199 4.141 4.340 0.000 0.000 0.210 142 L C 2.381 179.230 176.870 -0.034 0.000 1.092 142 L CA 1.416 56.246 54.840 -0.017 0.000 0.759 142 L CB -0.430 41.637 42.059 0.015 0.000 0.903 142 L HN 0.357 nan 8.230 nan 0.000 0.435 143 L N -0.317 120.873 121.223 -0.054 0.000 2.056 143 L HA -0.176 4.164 4.340 0.000 0.000 0.207 143 L C 2.705 179.501 176.870 -0.123 0.000 1.078 143 L CA 1.397 56.194 54.840 -0.071 0.000 0.749 143 L CB -0.233 41.787 42.059 -0.066 0.000 0.901 143 L HN 0.211 nan 8.230 nan 0.000 0.433 144 A N -0.081 122.663 122.820 -0.127 0.000 1.972 144 A HA -0.149 4.171 4.320 0.000 0.000 0.219 144 A C 2.144 179.663 177.584 -0.107 0.000 1.169 144 A CA 1.489 53.434 52.037 -0.154 0.000 0.635 144 A CB -0.651 18.286 19.000 -0.104 0.000 0.810 144 A HN 0.517 nan 8.150 nan 0.000 0.446 145 L N -1.251 119.933 121.223 -0.064 0.000 2.072 145 L HA -0.136 4.204 4.340 0.000 0.000 0.205 145 L C 2.832 179.680 176.870 -0.037 0.000 1.079 145 L CA 1.238 56.056 54.840 -0.037 0.000 0.752 145 L CB -0.564 41.484 42.059 -0.017 0.000 0.906 145 L HN 0.353 nan 8.230 nan 0.000 0.436 146 R N 0.011 120.487 120.500 -0.040 0.000 2.092 146 R HA -0.186 4.154 4.340 0.000 0.000 0.231 146 R C 2.204 178.479 176.300 -0.040 0.000 1.119 146 R CA 1.304 57.387 56.100 -0.028 0.000 0.970 146 R CB -0.211 30.077 30.300 -0.019 0.000 0.864 146 R HN 0.227 nan 8.270 nan 0.000 0.440 147 E N 0.578 120.724 120.200 -0.090 0.000 2.072 147 E HA -0.143 4.207 4.350 0.000 0.000 0.191 147 E C 1.852 178.409 176.600 -0.072 0.000 0.985 147 E CA 2.169 58.496 56.400 -0.122 0.000 0.801 147 E CB -0.066 29.422 29.700 -0.354 0.000 0.750 147 E HN 0.380 nan 8.360 nan 0.000 0.452 148 T N -3.968 110.544 114.554 -0.070 0.000 3.035 148 T HA 0.206 4.556 4.350 0.000 0.000 0.259 148 T C 1.626 176.324 174.700 -0.005 0.000 1.078 148 T CA 0.692 62.778 62.100 -0.024 0.000 1.132 148 T CB -0.088 68.769 68.868 -0.017 0.000 0.900 148 T HN 0.386 nan 8.240 nan 0.000 0.480 149 G N 1.743 110.537 108.800 -0.010 0.000 2.136 149 G HA2 -0.233 3.727 3.960 0.000 0.000 0.242 149 G HA3 -0.233 3.727 3.960 0.000 0.000 0.242 149 G C 0.088 174.990 174.900 0.003 0.000 0.989 149 G CA 0.054 45.154 45.100 -0.000 0.000 0.682 149 G HN 0.726 nan 8.290 nan 0.000 0.522 150 R N -1.194 119.306 120.500 0.001 0.000 2.782 150 R HA 0.780 5.120 4.340 0.000 0.000 0.258 150 R C 0.945 177.247 176.300 0.004 0.000 1.055 150 R CA -0.964 55.139 56.100 0.005 0.000 1.065 150 R CB 0.512 30.817 30.300 0.009 0.000 1.172 150 R HN 0.087 nan 8.270 nan 0.000 0.510 151 M N 0.118 119.722 119.600 0.007 0.000 2.300 151 M HA 0.225 4.705 4.480 0.000 0.000 0.313 151 M C 0.278 176.584 176.300 0.010 0.000 0.988 151 M CA -0.016 55.288 55.300 0.008 0.000 1.012 151 M CB 1.152 33.757 32.600 0.008 0.000 1.586 151 M HN 0.726 nan 8.290 nan 0.000 0.562 152 G N 0.977 109.784 108.800 0.012 0.000 2.356 152 G HA2 0.587 4.547 3.960 0.000 0.000 0.322 152 G HA3 0.587 4.547 3.960 0.000 0.000 0.322 152 G C -0.933 173.978 174.900 0.017 0.000 1.125 152 G CA -0.271 44.838 45.100 0.015 0.000 0.885 152 G HN 0.046 nan 8.290 nan 0.000 0.467 153 V N 2.557 122.483 119.914 0.019 0.000 2.760 153 V HA 0.478 4.598 4.120 0.000 0.000 0.309 153 V C -0.369 175.742 176.094 0.028 0.000 1.077 153 V CA -0.673 61.640 62.300 0.022 0.000 0.910 153 V CB 1.942 33.774 31.823 0.015 0.000 1.008 153 V HN 0.641 nan 8.190 nan 0.000 0.424 154 L N 4.533 125.780 121.223 0.040 0.000 2.325 154 L HA 0.723 5.063 4.340 0.000 0.000 0.281 154 L C -0.707 176.192 176.870 0.048 0.000 1.004 154 L CA -0.734 54.135 54.840 0.048 0.000 0.823 154 L CB 1.868 43.967 42.059 0.067 0.000 1.236 154 L HN 0.462 nan 8.230 nan 0.000 0.415 155 V N 2.766 122.700 119.914 0.033 0.000 2.604 155 V HA 0.443 4.563 4.120 0.000 0.000 0.305 155 V C 0.106 176.212 176.094 0.020 0.000 1.043 155 V CA -0.277 62.036 62.300 0.021 0.000 0.888 155 V CB 2.321 34.151 31.823 0.011 0.000 0.995 155 V HN 0.827 nan 8.190 nan 0.000 0.429 156 S N 3.995 119.698 115.700 0.005 0.000 2.564 156 S HA 0.123 4.593 4.470 0.000 0.000 0.278 156 S C 0.965 175.581 174.600 0.028 0.000 1.333 156 S CA 0.558 58.764 58.200 0.009 0.000 1.048 156 S CB 1.173 64.345 63.200 -0.046 0.000 0.900 156 S HN 0.971 nan 8.310 nan 0.000 0.505 157 Q N 3.334 123.161 119.800 0.045 0.000 2.364 157 Q HA -0.051 4.289 4.340 0.000 0.000 0.209 157 Q C 1.673 177.789 176.000 0.193 0.000 0.977 157 Q CA 1.383 57.214 55.803 0.047 0.000 0.885 157 Q CB -0.742 27.991 28.738 -0.009 0.000 0.941 157 Q HN 0.995 nan 8.270 nan 0.000 0.464 158 G N 0.162 109.062 108.800 0.166 0.000 2.559 158 G HA2 -0.032 3.928 3.960 0.000 0.000 0.216 158 G HA3 -0.032 3.928 3.960 0.000 0.000 0.216 158 G C 0.460 175.436 174.900 0.126 0.000 1.126 158 G CA 0.084 45.294 45.100 0.184 0.000 0.778 158 G HN 0.177 nan 8.290 nan 0.000 0.543 159 V N 1.591 121.544 119.914 0.065 0.000 2.614 159 V HA 0.091 4.211 4.120 0.000 0.000 0.291 159 V C 0.793 176.880 176.094 -0.011 0.000 1.049 159 V CA -1.228 61.076 62.300 0.007 0.000 1.038 159 V CB 1.098 32.922 31.823 0.002 0.000 0.980 159 V HN 0.418 nan 8.190 nan 0.000 0.481 160 H N 8.699 127.639 119.070 -0.217 0.000 3.193 160 H HA -0.051 4.505 4.556 0.000 0.000 0.306 160 H C -1.387 173.776 175.328 -0.275 0.000 0.960 160 H CA -0.702 55.131 56.048 -0.360 0.000 1.375 160 H CB 1.214 30.699 29.762 -0.461 0.000 1.321 160 H HN 0.419 nan 8.280 nan 0.000 0.578 161 P HA -0.176 nan 4.420 nan 0.000 0.216 161 P C 0.993 178.359 177.300 0.110 0.000 1.153 161 P CA 1.494 64.527 63.100 -0.112 0.000 0.858 161 P CB 0.303 31.847 31.700 -0.260 0.000 0.789 162 E N -1.241 119.167 120.200 0.347 0.000 2.106 162 E HA -0.183 4.167 4.350 0.000 0.000 0.192 162 E C 2.214 178.912 176.600 0.163 0.000 0.984 162 E CA 0.968 57.488 56.400 0.200 0.000 0.806 162 E CB -0.513 29.267 29.700 0.134 0.000 0.750 162 E HN 0.281 nan 8.360 nan 0.000 0.458 163 Y N 0.841 121.121 120.300 -0.033 0.000 2.224 163 Y HA -0.128 4.422 4.550 0.000 0.000 0.289 163 Y C 2.268 178.139 175.900 -0.049 0.000 1.146 163 Y CA 1.056 59.110 58.100 -0.076 0.000 1.182 163 Y CB -0.148 38.274 38.460 -0.063 0.000 0.983 163 Y HN -0.072 nan 8.280 nan 0.000 0.524 164 R N -0.752 119.836 120.500 0.146 0.000 2.115 164 R HA -0.045 4.295 4.340 0.000 0.000 0.226 164 R C 2.408 178.730 176.300 0.037 0.000 1.100 164 R CA 0.882 57.019 56.100 0.062 0.000 0.980 164 R CB -0.385 29.931 30.300 0.027 0.000 0.875 164 R HN 0.280 nan 8.270 nan 0.000 0.445 165 A N 0.535 123.379 122.820 0.041 0.000 1.929 165 A HA -0.066 4.254 4.320 0.000 0.000 0.216 165 A C 2.253 179.862 177.584 0.042 0.000 1.176 165 A CA 0.986 53.041 52.037 0.030 0.000 0.628 165 A CB -0.297 18.718 19.000 0.025 0.000 0.816 165 A HN 0.092 nan 8.150 nan 0.000 0.444 166 V N -0.228 119.705 119.914 0.032 0.000 2.427 166 V HA -0.192 3.928 4.120 0.000 0.000 0.248 166 V C 2.467 178.611 176.094 0.084 0.000 1.051 166 V CA 1.791 64.123 62.300 0.054 0.000 1.048 166 V CB -0.635 31.151 31.823 -0.061 0.000 0.666 166 V HN 0.592 nan 8.190 nan 0.000 0.456 167 L N 0.572 121.800 121.223 0.009 0.000 2.017 167 L HA -0.175 4.165 4.340 0.000 0.000 0.208 167 L C 2.575 179.489 176.870 0.073 0.000 1.073 167 L CA 2.258 57.102 54.840 0.007 0.000 0.745 167 L CB -0.762 41.293 42.059 -0.007 0.000 0.894 167 L HN 0.224 nan 8.230 nan 0.000 0.432 168 R N -0.620 119.915 120.500 0.058 0.000 2.091 168 R HA -0.189 4.151 4.340 0.000 0.000 0.238 168 R C 2.154 178.495 176.300 0.069 0.000 1.136 168 R CA 1.525 57.655 56.100 0.050 0.000 0.959 168 R CB -0.447 29.870 30.300 0.029 0.000 0.856 168 R HN 0.532 nan 8.270 nan 0.000 0.437 169 A N 0.129 123.006 122.820 0.094 0.000 1.865 169 A HA -0.201 4.119 4.320 0.000 0.000 0.217 169 A C 1.984 179.610 177.584 0.069 0.000 1.191 169 A CA 1.449 53.528 52.037 0.071 0.000 0.623 169 A CB -0.971 18.078 19.000 0.082 0.000 0.826 169 A HN 0.489 nan 8.150 nan 0.000 0.444 170 Y N -0.951 119.339 120.300 -0.017 0.000 2.224 170 Y HA -0.126 4.424 4.550 0.000 0.000 0.289 170 Y C 2.241 178.133 175.900 -0.014 0.000 1.146 170 Y CA 1.243 59.334 58.100 -0.015 0.000 1.182 170 Y CB -0.434 38.013 38.460 -0.021 0.000 0.983 170 Y HN 0.218 nan 8.280 nan 0.000 0.524 171 L N 0.171 121.483 121.223 0.147 0.000 2.027 171 L HA -0.170 4.170 4.340 0.000 0.000 0.206 171 L C 2.095 178.989 176.870 0.040 0.000 1.074 171 L CA 1.759 56.644 54.840 0.075 0.000 0.745 171 L CB -0.883 41.208 42.059 0.052 0.000 0.898 171 L HN 0.246 nan 8.230 nan 0.000 0.433 172 E N -0.979 119.239 120.200 0.030 0.000 2.204 172 E HA -0.143 4.207 4.350 0.000 0.000 0.194 172 E C 2.145 178.744 176.600 -0.003 0.000 0.989 172 E CA 0.826 57.232 56.400 0.010 0.000 0.824 172 E CB -0.157 29.546 29.700 0.006 0.000 0.756 172 E HN 0.499 nan 8.360 nan 0.000 0.477 173 A N 1.420 124.232 122.820 -0.014 0.000 1.972 173 A HA -0.130 4.190 4.320 0.000 0.000 0.219 173 A C 2.344 179.916 177.584 -0.020 0.000 1.169 173 A CA 1.539 53.554 52.037 -0.036 0.000 0.635 173 A CB -0.398 18.552 19.000 -0.083 0.000 0.810 173 A HN 0.233 nan 8.150 nan 0.000 0.446 174 V N -4.449 115.463 119.914 -0.004 0.000 3.444 174 V HA 0.577 4.697 4.120 0.000 0.000 0.308 174 V C 1.181 177.278 176.094 0.005 0.000 1.371 174 V CA 0.593 62.894 62.300 0.002 0.000 1.141 174 V CB -0.730 31.101 31.823 0.013 0.000 1.037 174 V HN 1.452 nan 8.190 nan 0.000 0.433 175 G N 0.016 108.818 108.800 0.004 0.000 2.159 175 G HA2 -0.112 3.848 3.960 0.000 0.000 0.256 175 G HA3 -0.112 3.848 3.960 0.000 0.000 0.256 175 G C 0.455 175.359 174.900 0.008 0.000 0.977 175 G CA 0.300 45.402 45.100 0.004 0.000 0.652 175 G HN 1.652 nan 8.290 nan 0.000 0.531 176 A N -0.672 122.155 122.820 0.012 0.000 2.366 176 A HA 0.716 5.036 4.320 0.000 0.000 0.249 176 A C 0.398 177.990 177.584 0.013 0.000 1.084 176 A CA 0.473 52.518 52.037 0.013 0.000 0.794 176 A CB 0.503 19.514 19.000 0.017 0.000 1.034 176 A HN 0.310 nan 8.150 nan 0.000 0.491 177 K N -0.226 120.181 120.400 0.012 0.000 2.182 177 K HA 0.646 4.966 4.320 0.000 0.000 0.262 177 K C -1.228 175.379 176.600 0.013 0.000 0.957 177 K CA -0.300 55.993 56.287 0.011 0.000 0.842 177 K CB 1.553 34.058 32.500 0.010 0.000 1.099 177 K HN 0.480 nan 8.250 nan 0.000 0.438 178 L N 3.623 124.853 121.223 0.012 0.000 2.362 178 L HA 0.621 4.961 4.340 0.000 0.000 0.275 178 L C -1.874 175.002 176.870 0.010 0.000 0.998 178 L CA -0.892 53.955 54.840 0.012 0.000 0.820 178 L CB 1.539 43.605 42.059 0.013 0.000 1.270 178 L HN 0.521 nan 8.230 nan 0.000 0.415 179 L N 4.442 125.673 121.223 0.013 0.000 2.381 179 L HA 0.714 5.054 4.340 0.000 0.000 0.274 179 L C -0.428 176.450 176.870 0.014 0.000 0.988 179 L CA -0.006 54.841 54.840 0.012 0.000 0.824 179 L CB 2.006 44.075 42.059 0.016 0.000 1.263 179 L HN 0.809 nan 8.230 nan 0.000 0.410 180 T N 3.173 117.730 114.554 0.005 0.000 2.767 180 T HA 0.579 4.929 4.350 0.000 0.000 0.288 180 T C -0.013 174.694 174.700 0.011 0.000 0.963 180 T CA -0.632 61.470 62.100 0.003 0.000 1.019 180 T CB 0.549 69.406 68.868 -0.019 0.000 0.923 180 T HN 0.527 nan 8.240 nan 0.000 0.468 181 L N 5.776 127.016 121.223 0.028 0.000 2.295 181 L HA 0.365 4.705 4.340 0.000 0.000 0.288 181 L C -1.861 175.034 176.870 0.043 0.000 1.079 181 L CA -2.225 52.643 54.840 0.047 0.000 0.830 181 L CB 0.358 42.466 42.059 0.082 0.000 1.200 181 L HN 0.466 nan 8.230 nan 0.000 0.438 182 P HA 0.003 nan 4.420 nan 0.000 0.269 182 P C -0.500 176.842 177.300 0.069 0.000 1.209 182 P CA -0.485 62.633 63.100 0.028 0.000 0.776 182 P CB 1.163 32.872 31.700 0.015 0.000 0.876 183 L N 2.915 124.198 121.223 0.100 0.000 2.417 183 L HA 0.229 4.569 4.340 0.000 0.000 0.268 183 L C 0.894 177.837 176.870 0.122 0.000 1.158 183 L CA 0.436 55.361 54.840 0.143 0.000 0.819 183 L CB -0.375 41.828 42.059 0.240 0.000 1.112 183 L HN 0.432 nan 8.230 nan 0.000 0.458 184 E N 1.189 121.448 120.200 0.099 0.000 2.265 184 E HA 0.457 4.807 4.350 0.000 0.000 0.262 184 E C 0.143 176.762 176.600 0.032 0.000 0.889 184 E CA -0.009 56.430 56.400 0.065 0.000 0.789 184 E CB 1.287 31.018 29.700 0.052 0.000 1.221 184 E HN 0.786 nan 8.360 nan 0.000 0.414 185 G N 2.402 111.193 108.800 -0.015 0.000 2.249 185 G HA2 -0.282 3.678 3.960 0.000 0.000 0.273 185 G HA3 -0.282 3.678 3.960 0.000 0.000 0.273 185 G C 0.903 175.737 174.900 -0.110 0.000 1.036 185 G CA 0.566 45.605 45.100 -0.101 0.000 0.824 185 G HN 1.196 nan 8.290 nan 0.000 0.504 186 G N -1.806 106.958 108.800 -0.060 0.000 2.205 186 G HA2 -0.282 3.678 3.960 0.000 0.000 0.261 186 G HA3 -0.282 3.678 3.960 0.000 0.000 0.261 186 G C 0.455 175.402 174.900 0.078 0.000 0.980 186 G CA 1.265 46.376 45.100 0.018 0.000 0.632 186 G HN 1.093 nan 8.290 nan 0.000 0.533 187 R N -0.183 120.360 120.500 0.072 0.000 2.892 187 R HA 0.641 4.981 4.340 0.000 0.000 0.265 187 R C -0.101 176.267 176.300 0.114 0.000 1.025 187 R CA -0.026 56.128 56.100 0.091 0.000 0.982 187 R CB 1.435 31.784 30.300 0.082 0.000 1.185 187 R HN 0.269 nan 8.270 nan 0.000 0.484 188 T N 1.157 115.791 114.554 0.133 0.000 2.743 188 T HA 0.360 4.710 4.350 0.000 0.000 0.293 188 T C -2.098 172.773 174.700 0.285 0.000 0.945 188 T CA -1.722 60.482 62.100 0.173 0.000 1.030 188 T CB 0.992 69.926 68.868 0.109 0.000 0.912 188 T HN 0.290 nan 8.240 nan 0.000 0.483 189 P HA 0.202 nan 4.420 nan 0.000 0.275 189 P C -0.152 177.208 177.300 0.100 0.000 1.227 189 P CA -0.803 62.368 63.100 0.119 0.000 0.781 189 P CB 0.655 32.392 31.700 0.062 0.000 0.906 190 L N 6.105 127.257 121.223 -0.118 0.000 2.584 190 L HA 0.172 4.512 4.340 0.000 0.000 0.272 190 L C -1.769 175.017 176.870 -0.141 0.000 1.195 190 L CA -0.647 53.975 54.840 -0.363 0.000 0.920 190 L CB -0.742 41.024 42.059 -0.488 0.000 1.173 190 L HN 0.375 nan 8.230 nan 0.000 0.489 191 P HA 0.317 nan 4.420 nan 0.000 0.284 191 P C -1.344 175.931 177.300 -0.041 0.000 1.287 191 P CA -0.752 62.342 63.100 -0.010 0.000 0.824 191 P CB 1.050 32.788 31.700 0.062 0.000 1.180 192 E N -0.186 120.003 120.200 -0.019 0.000 2.174 192 E HA 0.358 4.708 4.350 0.000 0.000 0.282 192 E C -0.722 175.875 176.600 -0.004 0.000 0.992 192 E CA -0.879 55.508 56.400 -0.022 0.000 0.803 192 E CB 1.626 31.316 29.700 -0.017 0.000 1.090 192 E HN 0.138 nan 8.360 nan 0.000 0.396 193 V N 2.868 122.778 119.914 -0.006 0.000 2.370 193 V HA 0.378 4.498 4.120 0.000 0.000 0.279 193 V C 0.703 176.804 176.094 0.012 0.000 1.029 193 V CA -0.675 61.631 62.300 0.010 0.000 0.870 193 V CB 1.272 33.102 31.823 0.012 0.000 0.984 193 V HN 0.757 nan 8.190 nan 0.000 0.451 194 G N 2.625 111.435 108.800 0.016 0.000 2.502 194 G HA2 0.392 4.352 3.960 0.000 0.000 0.305 194 G HA3 0.392 4.352 3.960 0.000 0.000 0.305 194 G C 0.432 175.344 174.900 0.020 0.000 1.190 194 G CA -0.409 44.700 45.100 0.015 0.000 0.933 194 G HN 0.777 nan 8.290 nan 0.000 0.503 195 E N 0.040 120.252 120.200 0.019 0.000 2.333 195 E HA -0.138 4.212 4.350 0.000 0.000 0.198 195 E C 1.826 178.438 176.600 0.021 0.000 1.007 195 E CA 1.009 57.422 56.400 0.021 0.000 0.845 195 E CB 0.274 29.985 29.700 0.019 0.000 0.766 195 E HN 0.675 nan 8.360 nan 0.000 0.507 196 E N 0.763 120.974 120.200 0.018 0.000 2.489 196 E HA -0.019 4.331 4.350 0.000 0.000 0.193 196 E C 0.344 176.956 176.600 0.019 0.000 1.057 196 E CA 0.150 56.560 56.400 0.017 0.000 0.866 196 E CB 0.061 29.769 29.700 0.014 0.000 0.916 196 E HN -0.032 nan 8.360 nan 0.000 0.500 197 V N 1.784 121.712 119.914 0.023 0.000 2.432 197 V HA 0.342 4.462 4.120 0.000 0.000 0.271 197 V C 1.324 177.436 176.094 0.029 0.000 1.046 197 V CA 0.374 62.690 62.300 0.027 0.000 0.945 197 V CB 1.278 33.120 31.823 0.033 0.000 0.992 197 V HN 0.348 nan 8.190 nan 0.000 0.471 198 G N 3.397 112.211 108.800 0.023 0.000 2.719 198 G HA2 0.526 4.486 3.960 0.000 0.000 0.211 198 G HA3 0.526 4.486 3.960 0.000 0.000 0.211 198 G C 0.347 175.259 174.900 0.020 0.000 1.140 198 G CA 0.739 45.848 45.100 0.016 0.000 0.790 198 G HN 0.975 nan 8.290 nan 0.000 0.529 199 A N -0.489 122.348 122.820 0.030 0.000 2.547 199 A HA 0.639 4.959 4.320 0.000 0.000 0.297 199 A C -1.678 175.948 177.584 0.071 0.000 1.056 199 A CA -0.361 51.702 52.037 0.042 0.000 0.688 199 A CB 1.814 20.817 19.000 0.006 0.000 1.282 199 A HN 0.341 nan 8.150 nan 0.000 0.400 200 V N 2.101 122.093 119.914 0.131 0.000 2.409 200 V HA 0.551 4.671 4.120 0.000 0.000 0.291 200 V C -0.418 175.795 176.094 0.199 0.000 1.020 200 V CA -0.554 61.856 62.300 0.184 0.000 0.848 200 V CB 1.497 33.467 31.823 0.246 0.000 0.990 200 V HN 0.709 nan 8.190 nan 0.000 0.430 201 V N 5.659 125.630 119.914 0.095 0.000 2.417 201 V HA 0.679 4.799 4.120 0.000 0.000 0.291 201 V C -0.293 175.788 176.094 -0.021 0.000 1.024 201 V CA -0.500 61.799 62.300 -0.001 0.000 0.861 201 V CB 1.809 33.615 31.823 -0.029 0.000 0.985 201 V HN 0.608 nan 8.190 nan 0.000 0.436 202 V N 4.139 124.006 119.914 -0.079 0.000 2.841 202 V HA 0.496 4.616 4.120 0.000 0.000 0.310 202 V C -0.609 175.402 176.094 -0.138 0.000 1.090 202 V CA -0.655 61.556 62.300 -0.149 0.000 0.930 202 V CB 2.091 33.743 31.823 -0.286 0.000 1.014 202 V HN 0.922 nan 8.190 nan 0.000 0.425 203 Q N 2.791 122.522 119.800 -0.114 0.000 2.312 203 Q HA 0.597 4.937 4.340 0.000 0.000 0.263 203 Q C -1.173 174.784 176.000 -0.072 0.000 0.995 203 Q CA -0.524 55.227 55.803 -0.088 0.000 0.853 203 Q CB 1.706 30.400 28.738 -0.074 0.000 1.300 203 Q HN 0.785 nan 8.270 nan 0.000 0.448 204 N N 4.193 122.856 118.700 -0.062 0.000 2.519 204 N HA 0.440 5.180 4.740 0.000 0.000 0.291 204 N C -2.899 172.558 175.510 -0.087 0.000 1.107 204 N CA -1.440 51.577 53.050 -0.055 0.000 0.904 204 N CB 1.960 40.422 38.487 -0.041 0.000 1.500 204 N HN 0.315 nan 8.380 nan 0.000 0.510 205 P HA 0.161 nan 4.420 nan 0.000 0.272 205 P C -0.596 176.700 177.300 -0.006 0.000 1.223 205 P CA -0.291 62.788 63.100 -0.034 0.000 0.784 205 P CB 0.497 32.206 31.700 0.014 0.000 0.923 206 N N 1.275 119.987 118.700 0.020 0.000 2.327 206 N HA 0.006 4.746 4.740 0.000 0.000 0.257 206 N C 0.684 176.215 175.510 0.035 0.000 1.281 206 N CA -0.285 52.782 53.050 0.029 0.000 0.942 206 N CB -0.487 38.029 38.487 0.049 0.000 1.199 206 N HN 0.232 nan 8.380 nan 0.000 0.532 207 F N -0.484 119.393 119.950 -0.121 0.000 2.192 207 F HA 0.005 4.532 4.527 0.000 0.000 0.301 207 F C 1.396 177.057 175.800 -0.231 0.000 1.079 207 F CA 1.382 59.252 58.000 -0.217 0.000 1.303 207 F CB -0.104 38.701 39.000 -0.325 0.000 1.024 207 F HN 0.412 nan 8.300 nan 0.000 0.494 208 L N -0.724 120.360 121.223 -0.231 0.000 2.611 208 L HA 0.251 4.591 4.340 0.000 0.000 0.229 208 L C 1.841 178.647 176.870 -0.107 0.000 1.137 208 L CA 0.599 55.288 54.840 -0.250 0.000 0.901 208 L CB -0.842 41.184 42.059 -0.055 0.000 1.098 208 L HN 0.403 nan 8.230 nan 0.000 0.456 209 G N 0.142 108.915 108.800 -0.046 0.000 2.199 209 G HA2 -0.298 3.662 3.960 0.000 0.000 0.254 209 G HA3 -0.298 3.662 3.960 0.000 0.000 0.254 209 G C 0.486 175.522 174.900 0.228 0.000 0.982 209 G CA 0.034 45.200 45.100 0.109 0.000 0.632 209 G HN 0.503 nan 8.290 nan 0.000 0.529 210 A N 0.612 123.531 122.820 0.164 0.000 2.425 210 A HA 0.653 4.973 4.320 0.000 0.000 0.249 210 A C 0.711 178.379 177.584 0.141 0.000 1.084 210 A CA -0.003 52.144 52.037 0.183 0.000 0.781 210 A CB 0.288 19.364 19.000 0.127 0.000 1.019 210 A HN 0.834 nan 8.150 nan 0.000 0.490 211 L N 1.593 122.905 121.223 0.148 0.000 2.331 211 L HA 0.347 4.687 4.340 0.000 0.000 0.278 211 L C 0.361 177.270 176.870 0.066 0.000 1.106 211 L CA -0.161 54.738 54.840 0.097 0.000 0.824 211 L CB 0.944 43.075 42.059 0.119 0.000 1.142 211 L HN 0.802 nan 8.230 nan 0.000 0.443 212 E N 1.504 121.721 120.200 0.027 0.000 2.183 212 E HA 0.122 4.472 4.350 0.000 0.000 0.271 212 E C -0.898 175.696 176.600 -0.010 0.000 0.919 212 E CA -0.577 55.832 56.400 0.015 0.000 0.781 212 E CB 1.308 30.977 29.700 -0.053 0.000 1.140 212 E HN 0.316 nan 8.360 nan 0.000 0.402 213 D N 4.449 124.879 120.400 0.049 0.000 2.402 213 D HA 0.056 4.696 4.640 0.000 0.000 0.235 213 D C 0.674 176.961 176.300 -0.023 0.000 1.226 213 D CA 0.209 54.197 54.000 -0.020 0.000 0.918 213 D CB 0.388 41.206 40.800 0.030 0.000 1.043 213 D HN 0.542 nan 8.370 nan 0.000 0.506 214 L N 2.787 123.781 121.223 -0.382 0.000 2.156 214 L HA 0.036 4.376 4.340 0.000 0.000 0.208 214 L C 2.529 179.226 176.870 -0.288 0.000 1.095 214 L CA 0.782 55.439 54.840 -0.305 0.000 0.770 214 L CB -0.356 41.447 42.059 -0.426 0.000 0.914 214 L HN 0.434 nan 8.230 nan 0.000 0.439 215 G N 1.734 110.310 108.800 -0.374 0.000 2.599 215 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 215 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 215 G C -0.430 174.407 174.900 -0.105 0.000 1.193 215 G CA 1.145 46.236 45.100 -0.014 0.000 0.778 215 G HN 0.322 nan 8.290 nan 0.000 0.589 216 P HA -0.067 nan 4.420 nan 0.000 0.221 216 P C 1.317 178.377 177.300 -0.401 0.000 1.145 216 P CA 0.848 63.794 63.100 -0.257 0.000 0.795 216 P CB -0.196 31.325 31.700 -0.298 0.000 0.775 217 F N 0.858 120.565 119.950 -0.405 0.000 2.206 217 F HA 0.005 4.532 4.527 0.000 0.000 0.298 217 F C 2.707 178.006 175.800 -0.835 0.000 1.090 217 F CA 1.216 58.874 58.000 -0.570 0.000 1.323 217 F CB -1.201 37.401 39.000 -0.664 0.000 1.028 217 F HN -0.069 nan 8.300 nan 0.000 0.492 218 A N -0.123 122.221 122.820 -0.793 0.000 1.930 218 A HA -0.161 4.159 4.320 0.000 0.000 0.217 218 A C 2.099 179.409 177.584 -0.456 0.000 1.175 218 A CA 1.584 53.188 52.037 -0.721 0.000 0.627 218 A CB -0.659 18.176 19.000 -0.275 0.000 0.815 218 A HN 0.395 nan 8.150 nan 0.000 0.443 219 E N -0.215 119.858 120.200 -0.213 0.000 2.077 219 E HA -0.103 4.247 4.350 0.000 0.000 0.193 219 E C 2.326 178.870 176.600 -0.092 0.000 0.989 219 E CA 0.885 57.244 56.400 -0.068 0.000 0.800 219 E CB -0.265 29.405 29.700 -0.050 0.000 0.746 219 E HN 0.617 nan 8.360 nan 0.000 0.452 220 A N 1.556 124.275 122.820 -0.169 0.000 1.877 220 A HA -0.121 4.199 4.320 0.000 0.000 0.216 220 A C 2.396 179.930 177.584 -0.084 0.000 1.186 220 A CA 1.721 53.681 52.037 -0.127 0.000 0.620 220 A CB -0.660 18.237 19.000 -0.172 0.000 0.822 220 A HN 0.294 nan 8.150 nan 0.000 0.443 221 A N -0.922 121.814 122.820 -0.140 0.000 1.877 221 A HA -0.192 4.128 4.320 0.000 0.000 0.216 221 A C 2.043 179.628 177.584 0.002 0.000 1.186 221 A CA 1.733 53.722 52.037 -0.079 0.000 0.620 221 A CB -0.949 17.983 19.000 -0.113 0.000 0.822 221 A HN 0.629 nan 8.150 nan 0.000 0.443 222 H N -0.515 118.582 119.070 0.045 0.000 2.421 222 H HA -0.063 4.493 4.556 0.000 0.000 0.298 222 H C 2.360 177.709 175.328 0.035 0.000 1.087 222 H CA 0.985 57.066 56.048 0.055 0.000 1.330 222 H CB -0.897 28.901 29.762 0.059 0.000 1.388 222 H HN 0.493 nan 8.280 nan 0.000 0.526 223 G N -0.058 108.817 108.800 0.125 0.000 2.471 223 G HA2 -0.077 3.884 3.960 0.000 0.000 0.219 223 G HA3 -0.077 3.884 3.960 0.000 0.000 0.219 223 G C 1.723 176.656 174.900 0.055 0.000 1.125 223 G CA 0.751 45.893 45.100 0.070 0.000 0.775 223 G HN 0.515 nan 8.290 nan 0.000 0.548 224 A N -0.793 122.060 122.820 0.056 0.000 2.220 224 A HA 0.505 4.825 4.320 0.000 0.000 0.211 224 A C 1.879 179.499 177.584 0.061 0.000 1.176 224 A CA 1.252 53.316 52.037 0.045 0.000 0.834 224 A CB -0.078 18.941 19.000 0.033 0.000 0.868 224 A HN 1.502 nan 8.150 nan 0.000 0.488 225 G N -1.944 106.911 108.800 0.092 0.000 2.131 225 G HA2 0.190 4.150 3.960 0.000 0.000 0.223 225 G HA3 0.190 4.150 3.960 0.000 0.000 0.223 225 G C 0.263 175.226 174.900 0.105 0.000 0.990 225 G CA 0.257 45.416 45.100 0.099 0.000 0.671 225 G HN 1.492 nan 8.290 nan 0.000 0.521 226 A N -0.423 122.467 122.820 0.116 0.000 2.299 226 A HA 0.915 5.235 4.320 0.000 0.000 0.332 226 A C 0.337 178.016 177.584 0.159 0.000 1.131 226 A CA -0.662 51.436 52.037 0.101 0.000 0.844 226 A CB 0.985 20.027 19.000 0.071 0.000 1.251 226 A HN 0.726 nan 8.150 nan 0.000 0.486 227 L N 0.399 121.695 121.223 0.121 0.000 2.360 227 L HA 0.443 4.783 4.340 0.000 0.000 0.271 227 L C -0.723 176.259 176.870 0.187 0.000 1.057 227 L CA -0.415 54.528 54.840 0.172 0.000 0.803 227 L CB 1.127 43.212 42.059 0.042 0.000 1.207 227 L HN 0.724 nan 8.230 nan 0.000 0.445 228 F N 2.428 122.396 119.950 0.029 0.000 2.388 228 F HA 0.494 5.021 4.527 0.000 0.000 0.358 228 F C -0.484 175.333 175.800 0.028 0.000 1.122 228 F CA -0.845 57.146 58.000 -0.013 0.000 1.056 228 F CB 1.137 40.090 39.000 -0.078 0.000 1.155 228 F HN -0.032 nan 8.300 nan 0.000 0.461 229 V N 6.208 125.876 119.914 -0.411 0.000 2.394 229 V HA 0.753 4.873 4.120 0.000 0.000 0.282 229 V C -0.004 175.642 176.094 -0.747 0.000 1.031 229 V CA -0.630 61.401 62.300 -0.450 0.000 0.881 229 V CB 0.992 32.690 31.823 -0.207 0.000 0.982 229 V HN 0.972 nan 8.190 nan 0.000 0.451 230 A N 4.817 127.270 122.820 -0.613 0.000 2.318 230 A HA 0.817 5.137 4.320 0.000 0.000 0.324 230 A C -0.740 176.720 177.584 -0.207 0.000 1.170 230 A CA -0.538 51.216 52.037 -0.472 0.000 0.810 230 A CB 1.485 20.249 19.000 -0.395 0.000 1.198 230 A HN 0.635 nan 8.150 nan 0.000 0.484 231 V N 1.833 121.655 119.914 -0.152 0.000 2.370 231 V HA 0.673 4.793 4.120 0.000 0.000 0.279 231 V C 0.404 176.469 176.094 -0.049 0.000 1.029 231 V CA 0.091 62.337 62.300 -0.091 0.000 0.870 231 V CB 0.858 32.638 31.823 -0.072 0.000 0.984 231 V HN 1.208 nan 8.190 nan 0.000 0.451 232 A N 3.476 126.308 122.820 0.021 0.000 2.398 232 A HA 0.556 4.876 4.320 0.000 0.000 0.301 232 A C -0.599 177.065 177.584 0.134 0.000 1.041 232 A CA -0.638 51.436 52.037 0.062 0.000 0.711 232 A CB 1.284 20.338 19.000 0.089 0.000 1.240 232 A HN 0.761 nan 8.150 nan 0.000 0.420 233 D N 4.324 124.757 120.400 0.055 0.000 2.401 233 D HA 0.090 4.730 4.640 0.000 0.000 0.254 233 D C -1.178 175.177 176.300 0.092 0.000 1.192 233 D CA -1.172 52.875 54.000 0.078 0.000 0.885 233 D CB 1.301 42.127 40.800 0.044 0.000 1.147 233 D HN 0.246 nan 8.370 nan 0.000 0.478 234 P HA -0.200 nan 4.420 nan 0.000 0.216 234 P C 1.731 179.038 177.300 0.011 0.000 1.150 234 P CA 0.553 63.667 63.100 0.025 0.000 0.837 234 P CB 0.266 31.967 31.700 0.002 0.000 0.786 235 L N 1.186 122.426 121.223 0.029 0.000 2.046 235 L HA -0.122 4.218 4.340 0.000 0.000 0.208 235 L C 2.530 179.465 176.870 0.108 0.000 1.077 235 L CA 2.606 57.478 54.840 0.054 0.000 0.747 235 L CB -1.663 40.387 42.059 -0.014 0.000 0.896 235 L HN 0.026 nan 8.230 nan 0.000 0.432 236 S N -1.091 114.666 115.700 0.096 0.000 2.442 236 S HA -0.150 4.320 4.470 0.000 0.000 0.236 236 S C 1.860 176.444 174.600 -0.027 0.000 1.007 236 S CA 1.014 59.223 58.200 0.015 0.000 0.965 236 S CB -0.819 62.113 63.200 -0.448 0.000 0.773 236 S HN 0.360 nan 8.310 nan 0.000 0.504 237 L N 2.080 123.293 121.223 -0.017 0.000 2.456 237 L HA 0.230 4.570 4.340 0.000 0.000 0.224 237 L C 2.394 179.266 176.870 0.004 0.000 1.148 237 L CA 0.892 55.719 54.840 -0.021 0.000 0.825 237 L CB -1.424 40.606 42.059 -0.048 0.000 0.937 237 L HN 0.535 nan 8.230 nan 0.000 0.450 238 G N -2.202 106.623 108.800 0.041 0.000 2.744 238 G HA2 -0.006 3.954 3.960 0.000 0.000 0.211 238 G HA3 -0.006 3.954 3.960 0.000 0.000 0.211 238 G C 1.378 176.315 174.900 0.060 0.000 1.143 238 G CA 0.975 46.101 45.100 0.044 0.000 0.788 238 G HN 0.311 nan 8.290 nan 0.000 0.534 239 V N -0.801 119.170 119.914 0.095 0.000 3.264 239 V HA 0.441 4.561 4.120 0.000 0.000 0.262 239 V C 0.249 176.400 176.094 0.096 0.000 1.616 239 V CA -0.128 62.238 62.300 0.110 0.000 1.033 239 V CB 0.133 32.064 31.823 0.180 0.000 0.865 239 V HN 0.100 nan 8.190 nan 0.000 0.420 240 L N 1.900 123.160 121.223 0.061 0.000 2.334 240 L HA 0.452 4.792 4.340 0.000 0.000 0.277 240 L C 0.312 177.190 176.870 0.015 0.000 1.075 240 L CA -0.312 54.547 54.840 0.031 0.000 0.804 240 L CB 1.074 43.093 42.059 -0.068 0.000 1.174 240 L HN 0.068 nan 8.230 nan 0.000 0.438 241 K N 4.564 124.973 120.400 0.014 0.000 2.466 241 K HA 0.044 4.364 4.320 0.000 0.000 0.278 241 K C -2.113 174.466 176.600 -0.035 0.000 1.048 241 K CA -1.026 55.208 56.287 -0.089 0.000 1.088 241 K CB 0.401 32.752 32.500 -0.248 0.000 0.884 241 K HN 0.269 nan 8.250 nan 0.000 0.478 242 P HA 0.031 nan 4.420 nan 0.000 0.272 242 P C -2.258 175.103 177.300 0.102 0.000 1.223 242 P CA -1.336 61.775 63.100 0.018 0.000 0.784 242 P CB 0.767 32.456 31.700 -0.018 0.000 0.923 243 P HA -0.189 nan 4.420 nan 0.000 0.216 243 P C 1.659 179.106 177.300 0.244 0.000 1.150 243 P CA 1.901 65.168 63.100 0.278 0.000 0.843 243 P CB -0.661 31.121 31.700 0.137 0.000 0.787 244 G N 0.459 109.338 108.800 0.131 0.000 2.432 244 G HA2 -0.205 3.755 3.960 0.000 0.000 0.219 244 G HA3 -0.205 3.755 3.960 0.000 0.000 0.219 244 G C 1.794 176.745 174.900 0.085 0.000 1.135 244 G CA 0.908 46.073 45.100 0.107 0.000 0.767 244 G HN 0.386 nan 8.290 nan 0.000 0.550 245 A N -0.241 122.583 122.820 0.007 0.000 2.015 245 A HA 0.129 4.449 4.320 0.000 0.000 0.219 245 A C 2.055 179.591 177.584 -0.081 0.000 1.163 245 A CA 0.995 52.975 52.037 -0.095 0.000 0.646 245 A CB -0.391 18.466 19.000 -0.239 0.000 0.806 245 A HN 0.399 nan 8.150 nan 0.000 0.448 246 Y N -1.080 119.295 120.300 0.125 0.000 2.523 246 Y HA 0.323 4.873 4.550 0.000 0.000 0.279 246 Y C 1.834 177.843 175.900 0.181 0.000 1.139 246 Y CA 0.305 58.492 58.100 0.144 0.000 1.296 246 Y CB 0.141 38.712 38.460 0.185 0.000 1.045 246 Y HN 0.437 nan 8.280 nan 0.000 0.538 247 G N -0.489 108.520 108.800 0.348 0.000 2.143 247 G HA2 -0.077 3.883 3.960 0.000 0.000 0.175 247 G HA3 -0.077 3.883 3.960 0.000 0.000 0.175 247 G C 0.203 175.405 174.900 0.502 0.000 1.004 247 G CA -0.317 45.002 45.100 0.365 0.000 0.671 247 G HN 0.538 nan 8.290 nan 0.000 0.512 248 A N -0.010 123.101 122.820 0.485 0.000 2.445 248 A HA 0.554 4.874 4.320 0.000 0.000 0.242 248 A C 1.133 178.901 177.584 0.307 0.000 1.075 248 A CA 0.824 53.123 52.037 0.438 0.000 0.777 248 A CB 0.348 19.445 19.000 0.161 0.000 1.013 248 A HN 0.231 nan 8.150 nan 0.000 0.493 249 D N 0.568 121.143 120.400 0.291 0.000 2.301 249 D HA 0.175 4.815 4.640 0.000 0.000 0.206 249 D C 0.120 176.552 176.300 0.220 0.000 0.979 249 D CA 1.182 55.375 54.000 0.322 0.000 0.874 249 D CB 0.296 41.340 40.800 0.408 0.000 0.968 249 D HN 0.541 nan 8.370 nan 0.000 0.510 250 I N 0.293 120.914 120.570 0.085 0.000 2.686 250 I HA 0.485 4.655 4.170 0.000 0.000 0.295 250 I C -1.046 175.050 176.117 -0.034 0.000 1.114 250 I CA -0.992 60.329 61.300 0.034 0.000 1.038 250 I CB 2.577 40.569 38.000 -0.014 0.000 1.238 250 I HN -0.243 nan 8.210 nan 0.000 0.420 251 A N 5.187 128.023 122.820 0.026 0.000 2.393 251 A HA 0.916 5.236 4.320 0.000 0.000 0.306 251 A C -0.886 176.737 177.584 0.064 0.000 1.050 251 A CA -0.582 51.490 52.037 0.058 0.000 0.724 251 A CB 1.767 20.865 19.000 0.164 0.000 1.248 251 A HN 0.696 nan 8.150 nan 0.000 0.424 252 V N -0.860 118.979 119.914 -0.125 0.000 3.160 252 V HA 1.080 5.200 4.120 0.000 0.000 0.310 252 V C 0.006 175.575 176.094 -0.876 0.000 1.181 252 V CA -0.103 61.863 62.300 -0.557 0.000 1.047 252 V CB 1.371 32.981 31.823 -0.354 0.000 1.068 252 V HN 2.323 nan 8.190 nan 0.000 0.441 253 G N 0.132 108.098 108.800 -1.389 0.000 2.328 253 G HA2 0.382 4.342 3.960 0.000 0.000 0.295 253 G HA3 0.382 4.342 3.960 0.000 0.000 0.295 253 G C -2.344 172.210 174.900 -0.578 0.000 1.413 253 G CA -0.306 44.328 45.100 -0.777 0.000 0.817 253 G HN 0.984 nan 8.290 nan 0.000 0.546 254 D N -0.342 119.954 120.400 -0.173 0.000 2.168 254 D HA 0.468 5.108 4.640 0.000 0.000 0.246 254 D C 1.190 177.331 176.300 -0.264 0.000 1.050 254 D CA 0.087 53.964 54.000 -0.206 0.000 0.857 254 D CB 1.758 42.526 40.800 -0.053 0.000 1.169 254 D HN 0.572 nan 8.370 nan 0.000 0.453 255 G N 2.596 110.964 108.800 -0.721 0.000 3.181 255 G HA2 -0.153 3.807 3.960 0.000 0.000 0.219 255 G HA3 -0.153 3.807 3.960 0.000 0.000 0.219 255 G C 1.083 175.771 174.900 -0.353 0.000 1.182 255 G CA -0.082 44.524 45.100 -0.822 0.000 0.791 255 G HN 0.466 nan 8.290 nan 0.000 0.537 256 Q N 1.751 121.355 119.800 -0.327 0.000 2.181 256 Q HA -0.159 4.181 4.340 0.000 0.000 0.205 256 Q C 2.444 178.298 176.000 -0.243 0.000 0.980 256 Q CA 1.858 57.425 55.803 -0.392 0.000 0.862 256 Q CB -0.291 28.035 28.738 -0.687 0.000 0.905 256 Q HN 0.563 nan 8.270 nan 0.000 0.429 257 S N -0.514 115.080 115.700 -0.177 0.000 2.555 257 S HA 0.002 4.472 4.470 0.000 0.000 0.230 257 S C 1.250 175.612 174.600 -0.397 0.000 0.978 257 S CA 0.093 58.167 58.200 -0.211 0.000 0.934 257 S CB -0.253 62.862 63.200 -0.143 0.000 0.766 257 S HN 0.359 nan 8.310 nan 0.000 0.533 258 L N 2.234 123.241 121.223 -0.359 0.000 2.648 258 L HA 0.404 4.744 4.340 0.000 0.000 0.238 258 L C 1.413 177.573 176.870 -1.184 0.000 1.316 258 L CA -0.033 54.401 54.840 -0.676 0.000 1.241 258 L CB -0.846 41.162 42.059 -0.084 0.000 1.499 258 L HN 0.488 nan 8.230 nan 0.000 0.411 259 G N 0.564 108.630 108.800 -1.224 0.000 2.168 259 G HA2 -0.291 3.669 3.960 0.000 0.000 0.257 259 G HA3 -0.291 3.669 3.960 0.000 0.000 0.257 259 G C -0.063 174.672 174.900 -0.276 0.000 0.997 259 G CA -0.117 44.558 45.100 -0.708 0.000 0.708 259 G HN 0.297 nan 8.290 nan 0.000 0.520 260 L N 2.043 123.144 121.223 -0.205 0.000 2.326 260 L HA 0.473 4.813 4.340 0.000 0.000 0.278 260 L C -1.302 175.554 176.870 -0.023 0.000 1.092 260 L CA -2.239 52.565 54.840 -0.060 0.000 0.810 260 L CB 0.758 42.816 42.059 -0.001 0.000 1.153 260 L HN -0.043 nan 8.230 nan 0.000 0.439 261 P HA 0.071 nan 4.420 nan 0.000 0.268 261 P C 0.677 178.068 177.300 0.151 0.000 1.204 261 P CA -0.126 63.015 63.100 0.069 0.000 0.768 261 P CB 0.602 32.341 31.700 0.066 0.000 0.842 262 M N 2.034 121.708 119.600 0.122 0.000 2.108 262 M HA -0.099 4.381 4.480 0.000 0.000 0.261 262 M C 1.658 178.135 176.300 0.293 0.000 1.066 262 M CA 1.900 57.308 55.300 0.180 0.000 1.107 262 M CB -1.234 31.422 32.600 0.093 0.000 1.356 262 M HN 0.696 nan 8.290 nan 0.000 0.406 263 G N 0.566 109.482 108.800 0.194 0.000 2.379 263 G HA2 -0.307 3.653 3.960 0.000 0.000 0.297 263 G HA3 -0.307 3.653 3.960 0.000 0.000 0.297 263 G C 0.256 175.284 174.900 0.214 0.000 1.004 263 G CA 0.367 45.562 45.100 0.158 0.000 0.921 263 G HN 0.614 nan 8.290 nan 0.000 0.511 264 F N -1.797 118.171 119.950 0.030 0.000 3.100 264 F HA -0.182 4.345 4.527 0.000 0.000 0.283 264 F C 1.659 177.465 175.800 0.010 0.000 0.900 264 F CA 2.461 60.468 58.000 0.013 0.000 1.010 264 F CB -1.026 37.972 39.000 -0.004 0.000 1.029 264 F HN 1.839 nan 8.300 nan 0.000 0.637 265 G N -0.940 107.858 108.800 -0.004 0.000 2.201 265 G HA2 0.357 4.317 3.960 0.000 0.000 0.212 265 G HA3 0.357 4.317 3.960 0.000 0.000 0.212 265 G C 0.949 175.688 174.900 -0.269 0.000 0.994 265 G CA 0.427 45.476 45.100 -0.085 0.000 0.644 265 G HN 2.038 nan 8.290 nan 0.000 0.508 266 G N -0.564 108.005 108.800 -0.385 0.000 2.355 266 G HA2 0.687 4.647 3.960 0.000 0.000 0.296 266 G HA3 0.687 4.647 3.960 0.000 0.000 0.296 266 G C -3.193 171.538 174.900 -0.281 0.000 1.507 266 G CA 0.242 45.012 45.100 -0.550 0.000 0.823 266 G HN 0.663 nan 8.290 nan 0.000 0.569 267 P HA 0.596 nan 4.420 nan 0.000 0.287 267 P C -0.686 176.471 177.300 -0.239 0.000 1.270 267 P CA -0.186 62.764 63.100 -0.250 0.000 0.844 267 P CB 2.046 33.698 31.700 -0.080 0.000 1.068 268 H N -0.022 119.092 119.070 0.073 0.000 4.179 268 H HA 0.679 5.235 4.556 0.000 0.000 0.413 268 H C -0.572 174.903 175.328 0.246 0.000 1.368 268 H CA -0.532 55.591 56.048 0.126 0.000 1.046 268 H CB 0.850 30.622 29.762 0.016 0.000 0.902 268 H HN 0.494 nan 8.280 nan 0.000 0.774 269 F N -1.400 118.649 119.950 0.164 0.000 2.741 269 F HA 0.692 5.219 4.527 0.000 0.000 0.311 269 F C -1.035 174.822 175.800 0.094 0.000 1.149 269 F CA -0.970 57.084 58.000 0.090 0.000 0.930 269 F CB 1.063 40.088 39.000 0.041 0.000 1.312 269 F HN 0.551 nan 8.300 nan 0.000 0.450 270 G N 0.838 109.697 108.800 0.098 0.000 2.482 270 G HA2 0.654 4.614 3.960 0.000 0.000 0.317 270 G HA3 0.654 4.614 3.960 0.000 0.000 0.317 270 G C -1.957 173.043 174.900 0.166 0.000 1.241 270 G CA -0.904 44.143 45.100 -0.087 0.000 0.967 270 G HN 0.954 nan 8.290 nan 0.000 0.482 271 F N 0.594 120.591 119.950 0.078 0.000 2.507 271 F HA 0.872 5.399 4.527 0.000 0.000 0.327 271 F C -1.196 174.633 175.800 0.049 0.000 1.068 271 F CA -2.124 55.979 58.000 0.171 0.000 0.965 271 F CB 2.157 41.275 39.000 0.197 0.000 1.192 271 F HN 0.426 nan 8.300 nan 0.000 0.476 272 L N 3.026 124.409 121.223 0.267 0.000 2.482 272 L HA 0.867 5.207 4.340 0.000 0.000 0.269 272 L C -1.365 175.612 176.870 0.178 0.000 0.967 272 L CA -0.881 54.033 54.840 0.124 0.000 0.851 272 L CB 1.089 43.164 42.059 0.025 0.000 1.242 272 L HN 1.105 nan 8.230 nan 0.000 0.404 273 A N 3.071 126.004 122.820 0.189 0.000 2.401 273 A HA 0.955 5.275 4.320 0.000 0.000 0.310 273 A C -0.409 177.238 177.584 0.105 0.000 1.075 273 A CA 0.088 52.198 52.037 0.122 0.000 0.746 273 A CB 1.925 20.989 19.000 0.107 0.000 1.277 273 A HN 0.829 nan 8.150 nan 0.000 0.425 274 T N -0.136 114.477 114.554 0.098 0.000 2.649 274 T HA 0.477 4.827 4.350 0.000 0.000 0.305 274 T C -1.293 173.473 174.700 0.110 0.000 1.409 274 T CA -0.471 61.718 62.100 0.147 0.000 1.021 274 T CB 0.621 69.619 68.868 0.218 0.000 1.726 274 T HN 0.601 nan 8.240 nan 0.000 0.475 275 K N 1.654 122.129 120.400 0.124 0.000 2.185 275 K HA 0.435 4.755 4.320 0.000 0.000 0.271 275 K C 1.058 177.606 176.600 -0.086 0.000 1.013 275 K CA -0.342 55.903 56.287 -0.069 0.000 0.943 275 K CB 0.897 33.201 32.500 -0.327 0.000 0.998 275 K HN 0.538 nan 8.250 nan 0.000 0.468 276 K N 1.703 122.047 120.400 -0.094 0.000 2.147 276 K HA -0.145 4.175 4.320 0.000 0.000 0.205 276 K C 1.442 177.989 176.600 -0.088 0.000 1.049 276 K CA 1.491 57.745 56.287 -0.055 0.000 0.936 276 K CB -0.037 32.438 32.500 -0.042 0.000 0.722 276 K HN 0.666 nan 8.250 nan 0.000 0.446 277 A N 0.170 122.851 122.820 -0.230 0.000 2.070 277 A HA -0.104 4.216 4.320 0.000 0.000 0.220 277 A C 1.176 178.667 177.584 -0.155 0.000 1.159 277 A CA 1.029 52.906 52.037 -0.266 0.000 0.656 277 A CB -0.408 18.325 19.000 -0.445 0.000 0.800 277 A HN 0.341 nan 8.150 nan 0.000 0.453 278 F N -1.817 118.149 119.950 0.026 0.000 2.693 278 F HA 0.168 4.695 4.527 0.000 0.000 0.303 278 F C 1.854 177.670 175.800 0.027 0.000 1.097 278 F CA -0.675 57.341 58.000 0.027 0.000 1.330 278 F CB -0.684 38.334 39.000 0.030 0.000 1.067 278 F HN 0.068 nan 8.300 nan 0.000 0.565 279 V N 0.863 120.875 119.914 0.163 0.000 2.453 279 V HA -0.277 3.843 4.120 0.000 0.000 0.252 279 V C 2.830 178.987 176.094 0.106 0.000 1.068 279 V CA 1.960 64.329 62.300 0.115 0.000 1.070 279 V CB -0.274 31.594 31.823 0.075 0.000 0.664 279 V HN 0.304 nan 8.190 nan 0.000 0.461 280 R N -0.512 120.053 120.500 0.109 0.000 2.127 280 R HA -0.126 4.214 4.340 0.000 0.000 0.238 280 R C 1.970 178.317 176.300 0.078 0.000 1.134 280 R CA 1.634 57.785 56.100 0.086 0.000 0.975 280 R CB -0.201 30.149 30.300 0.084 0.000 0.865 280 R HN 0.574 nan 8.270 nan 0.000 0.447 281 Q N 0.249 120.102 119.800 0.089 0.000 2.360 281 Q HA 0.049 4.389 4.340 0.000 0.000 0.202 281 Q C 0.221 176.251 176.000 0.050 0.000 0.915 281 Q CA -0.190 55.646 55.803 0.056 0.000 0.943 281 Q CB 0.014 28.769 28.738 0.029 0.000 1.064 281 Q HN 0.116 nan 8.270 nan 0.000 0.511 282 L N 4.107 125.372 121.223 0.070 0.000 2.513 282 L HA 0.111 4.451 4.340 0.000 0.000 0.272 282 L C -2.299 174.597 176.870 0.044 0.000 1.187 282 L CA -0.919 53.957 54.840 0.060 0.000 0.895 282 L CB 0.444 42.549 42.059 0.076 0.000 1.147 282 L HN -0.081 nan 8.230 nan 0.000 0.483 283 P HA 0.549 nan 4.420 nan 0.000 0.285 283 P C -0.335 176.972 177.300 0.012 0.000 1.269 283 P CA 0.036 63.146 63.100 0.016 0.000 0.844 283 P CB 1.695 33.392 31.700 -0.005 0.000 1.094 284 G N 1.057 109.865 108.800 0.014 0.000 2.710 284 G HA2 -0.148 3.812 3.960 0.000 0.000 0.668 284 G HA3 -0.148 3.812 3.960 0.000 0.000 0.668 284 G C -0.722 174.201 174.900 0.039 0.000 1.320 284 G CA -0.871 44.235 45.100 0.010 0.000 0.860 284 G HN 0.665 nan 8.290 nan 0.000 0.538 285 R N -1.074 119.445 120.500 0.032 0.000 2.694 285 R HA 0.567 4.907 4.340 0.000 0.000 0.268 285 R C 0.047 176.386 176.300 0.065 0.000 1.061 285 R CA -0.063 56.063 56.100 0.044 0.000 1.133 285 R CB 0.494 30.796 30.300 0.003 0.000 1.020 285 R HN 0.510 nan 8.270 nan 0.000 0.475 286 L N 2.536 123.808 121.223 0.081 0.000 2.470 286 L HA 0.367 4.707 4.340 0.000 0.000 0.268 286 L C -1.247 175.699 176.870 0.127 0.000 0.964 286 L CA -0.890 54.012 54.840 0.102 0.000 0.839 286 L CB 2.236 44.353 42.059 0.098 0.000 1.276 286 L HN 0.346 nan 8.230 nan 0.000 0.403 287 V N 2.739 122.753 119.914 0.168 0.000 2.472 287 V HA 0.532 4.652 4.120 0.000 0.000 0.290 287 V C 0.063 176.350 176.094 0.321 0.000 1.037 287 V CA -0.275 62.162 62.300 0.227 0.000 0.908 287 V CB 1.763 33.738 31.823 0.254 0.000 0.985 287 V HN 0.774 nan 8.190 nan 0.000 0.454 288 S N 2.885 118.742 115.700 0.261 0.000 2.542 288 S HA 0.480 4.950 4.470 0.000 0.000 0.293 288 S C -0.628 174.018 174.600 0.078 0.000 1.089 288 S CA -0.671 57.665 58.200 0.226 0.000 0.961 288 S CB 1.702 64.981 63.200 0.132 0.000 1.062 288 S HN 0.872 nan 8.310 nan 0.000 0.483 289 E N 1.482 121.629 120.200 -0.089 0.000 2.373 289 E HA 0.492 4.842 4.350 0.000 0.000 0.263 289 E C -0.175 176.226 176.600 -0.331 0.000 1.073 289 E CA -0.034 56.058 56.400 -0.512 0.000 0.894 289 E CB 1.093 30.465 29.700 -0.546 0.000 1.008 289 E HN 0.652 nan 8.360 nan 0.000 0.420 290 T N 1.322 115.615 114.554 -0.435 0.000 2.646 290 T HA 0.410 4.760 4.350 0.000 0.000 0.297 290 T C -1.781 172.764 174.700 -0.259 0.000 1.363 290 T CA -0.461 61.490 62.100 -0.248 0.000 1.056 290 T CB 1.082 69.858 68.868 -0.153 0.000 1.779 290 T HN 0.259 nan 8.240 nan 0.000 0.459 291 V N 2.178 121.993 119.914 -0.164 0.000 3.078 291 V HA 0.569 4.689 4.120 0.000 0.000 0.311 291 V C -1.080 174.957 176.094 -0.095 0.000 1.138 291 V CA -0.591 61.629 62.300 -0.135 0.000 1.007 291 V CB 2.201 33.964 31.823 -0.099 0.000 1.045 291 V HN 1.057 nan 8.190 nan 0.000 0.432 292 D N 1.786 122.139 120.400 -0.079 0.000 2.478 292 D HA 0.172 4.812 4.640 0.000 0.000 0.263 292 D C 1.205 177.482 176.300 -0.038 0.000 1.153 292 D CA -0.318 53.651 54.000 -0.052 0.000 1.038 292 D CB 1.432 42.205 40.800 -0.044 0.000 1.120 292 D HN 0.218 nan 8.370 nan 0.000 0.564 293 V N -0.188 119.710 119.914 -0.026 0.000 2.527 293 V HA -0.237 3.883 4.120 0.000 0.000 0.255 293 V C 1.434 177.516 176.094 -0.020 0.000 1.081 293 V CA 2.207 64.496 62.300 -0.020 0.000 1.092 293 V CB -0.567 31.248 31.823 -0.013 0.000 0.673 293 V HN 0.568 nan 8.190 nan 0.000 0.470 294 E N -1.205 118.982 120.200 -0.023 0.000 2.501 294 E HA 0.315 4.665 4.350 0.000 0.000 0.201 294 E C 1.342 177.926 176.600 -0.027 0.000 1.016 294 E CA 0.510 56.897 56.400 -0.021 0.000 0.920 294 E CB 0.596 30.286 29.700 -0.017 0.000 1.023 294 E HN 0.684 nan 8.360 nan 0.000 0.474 295 G N 2.304 111.083 108.800 -0.036 0.000 2.157 295 G HA2 -0.293 3.667 3.960 0.000 0.000 0.239 295 G HA3 -0.293 3.667 3.960 0.000 0.000 0.239 295 G C 0.168 175.036 174.900 -0.054 0.000 0.982 295 G CA -0.276 44.798 45.100 -0.043 0.000 0.650 295 G HN 0.135 nan 8.290 nan 0.000 0.527 296 R N 0.201 120.669 120.500 -0.054 0.000 2.539 296 R HA 0.428 4.768 4.340 0.000 0.000 0.275 296 R C 0.951 177.190 176.300 -0.103 0.000 1.077 296 R CA -0.555 55.508 56.100 -0.061 0.000 1.097 296 R CB 0.711 30.985 30.300 -0.043 0.000 1.018 296 R HN 0.367 nan 8.270 nan 0.000 0.483 297 R N 0.803 121.230 120.500 -0.121 0.000 2.570 297 R HA 0.162 4.502 4.340 0.000 0.000 0.277 297 R C -0.363 175.768 176.300 -0.283 0.000 1.039 297 R CA 0.501 56.465 56.100 -0.226 0.000 1.065 297 R CB 0.493 30.672 30.300 -0.202 0.000 0.964 297 R HN 0.831 nan 8.270 nan 0.000 0.428 298 G N 2.421 110.926 108.800 -0.492 0.000 2.684 298 G HA2 0.574 4.534 3.960 0.000 0.000 0.290 298 G HA3 0.574 4.534 3.960 0.000 0.000 0.290 298 G C -1.822 172.597 174.900 -0.802 0.000 1.425 298 G CA -0.728 44.111 45.100 -0.435 0.000 0.822 298 G HN 0.421 nan 8.290 nan 0.000 0.482 299 F N -0.252 119.637 119.950 -0.102 0.000 2.563 299 F HA 0.804 5.331 4.527 0.000 0.000 0.316 299 F C 0.093 175.867 175.800 -0.044 0.000 1.076 299 F CA -0.842 57.089 58.000 -0.115 0.000 0.921 299 F CB 2.653 41.573 39.000 -0.132 0.000 1.209 299 F HN 0.428 nan 8.300 nan 0.000 0.462 300 I N 2.320 122.974 120.570 0.140 0.000 2.918 300 I HA 0.337 4.507 4.170 0.000 0.000 0.301 300 I C -1.657 174.528 176.117 0.114 0.000 1.312 300 I CA -0.921 60.441 61.300 0.103 0.000 1.007 300 I CB 1.525 39.560 38.000 0.057 0.000 1.281 300 I HN 0.257 nan 8.210 nan 0.000 0.440 301 L N 3.981 125.266 121.223 0.103 0.000 2.456 301 L HA 0.332 4.672 4.340 0.000 0.000 0.272 301 L C 0.414 177.351 176.870 0.111 0.000 1.189 301 L CA 0.814 55.718 54.840 0.106 0.000 0.846 301 L CB 0.472 42.595 42.059 0.107 0.000 1.111 301 L HN 0.727 nan 8.230 nan 0.000 0.475 302 T N 2.175 116.794 114.554 0.109 0.000 2.716 302 T HA 0.499 4.849 4.350 0.000 0.000 0.286 302 T C 0.272 175.029 174.700 0.095 0.000 1.052 302 T CA -0.664 61.495 62.100 0.097 0.000 1.024 302 T CB 0.662 69.583 68.868 0.089 0.000 1.349 302 T HN 0.485 nan 8.240 nan 0.000 0.525 303 L N 1.536 122.808 121.223 0.082 0.000 3.829 303 L HA -0.228 4.112 4.340 0.000 0.000 0.440 303 L C 1.320 178.240 176.870 0.084 0.000 1.192 303 L CA 0.465 55.350 54.840 0.076 0.000 0.848 303 L CB -1.173 40.930 42.059 0.073 0.000 1.744 303 L HN 0.775 nan 8.230 nan 0.000 0.920 304 Q N -0.163 119.696 119.800 0.097 0.000 2.541 304 Q HA -0.031 4.309 4.340 0.000 0.000 0.215 304 Q C 2.119 178.179 176.000 0.100 0.000 0.977 304 Q CA 0.782 56.655 55.803 0.117 0.000 0.934 304 Q CB 0.112 28.941 28.738 0.151 0.000 0.988 304 Q HN 0.768 nan 8.270 nan 0.000 0.521 305 A N 0.681 123.546 122.820 0.074 0.000 2.168 305 A HA -0.104 4.216 4.320 0.000 0.000 0.215 305 A C 1.727 179.341 177.584 0.051 0.000 1.152 305 A CA 0.602 52.671 52.037 0.053 0.000 0.716 305 A CB -0.008 19.017 19.000 0.041 0.000 0.794 305 A HN 0.231 nan 8.150 nan 0.000 0.465 306 R N 0.028 120.566 120.500 0.062 0.000 2.246 306 R HA 0.106 4.446 4.340 0.000 0.000 0.199 306 R C -0.002 176.335 176.300 0.063 0.000 0.984 306 R CA 0.337 56.472 56.100 0.057 0.000 1.015 306 R CB 0.160 30.496 30.300 0.060 0.000 0.930 306 R HN 0.593 nan 8.270 nan 0.000 0.475 307 E N 0.503 120.752 120.200 0.082 0.000 2.250 307 E HA -0.008 4.342 4.350 0.000 0.000 0.265 307 E C 0.502 177.161 176.600 0.099 0.000 1.033 307 E CA -0.446 56.014 56.400 0.099 0.000 0.888 307 E CB 1.059 30.839 29.700 0.135 0.000 1.151 307 E HN 0.019 nan 8.360 nan 0.000 0.412 308 Q N 0.590 120.455 119.800 0.109 0.000 2.135 308 Q HA -0.296 4.044 4.340 0.000 0.000 0.204 308 Q C 1.702 177.772 176.000 0.116 0.000 0.981 308 Q CA 1.762 57.626 55.803 0.101 0.000 0.856 308 Q CB -0.603 28.199 28.738 0.108 0.000 0.902 308 Q HN 0.717 nan 8.270 nan 0.000 0.425 309 Y N 0.755 121.076 120.300 0.036 0.000 2.114 309 Y HA -0.114 4.436 4.550 0.000 0.000 0.284 309 Y C 1.838 177.742 175.900 0.007 0.000 1.143 309 Y CA 1.637 59.744 58.100 0.012 0.000 1.135 309 Y CB -0.186 38.264 38.460 -0.017 0.000 0.980 309 Y HN 0.152 nan 8.280 nan 0.000 0.499 310 I N -0.691 119.796 120.570 -0.138 0.000 2.333 310 I HA -0.144 4.026 4.170 0.000 0.000 0.246 310 I C 2.197 178.238 176.117 -0.126 0.000 1.106 310 I CA 1.106 62.277 61.300 -0.215 0.000 1.411 310 I CB -0.188 37.792 38.000 -0.032 0.000 1.082 310 I HN 0.011 nan 8.210 nan 0.000 0.420 311 R N 0.547 121.020 120.500 -0.044 0.000 2.254 311 R HA 0.117 4.457 4.340 0.000 0.000 0.195 311 R C 1.033 177.319 176.300 -0.023 0.000 0.957 311 R CA 0.185 56.270 56.100 -0.025 0.000 1.024 311 R CB -0.067 30.237 30.300 0.007 0.000 0.952 311 R HN 0.133 nan 8.270 nan 0.000 0.484 312 R N -1.610 118.877 120.500 -0.022 0.000 3.707 312 R HA -0.345 3.995 4.340 0.000 0.000 0.504 312 R C 1.460 177.763 176.300 0.004 0.000 0.241 312 R CA 1.863 57.957 56.100 -0.009 0.000 1.576 312 R CB -1.822 28.459 30.300 -0.031 0.000 0.924 312 R HN 0.273 nan 8.270 nan 0.000 0.597 313 A N 0.888 123.707 122.820 -0.002 0.000 2.084 313 A HA -0.181 4.139 4.320 0.000 0.000 0.221 313 A C 1.628 179.215 177.584 0.005 0.000 1.161 313 A CA 2.044 54.082 52.037 0.003 0.000 0.653 313 A CB -0.394 18.605 19.000 -0.001 0.000 0.802 313 A HN 0.430 nan 8.150 nan 0.000 0.457 314 K N -0.300 120.102 120.400 0.003 0.000 2.404 314 K HA 0.355 4.675 4.320 0.000 0.000 0.194 314 K C 0.598 177.206 176.600 0.014 0.000 1.023 314 K CA 0.210 56.501 56.287 0.006 0.000 1.094 314 K CB 0.082 32.584 32.500 0.002 0.000 0.841 314 K HN 0.442 nan 8.250 nan 0.000 0.523 315 A N 1.697 124.528 122.820 0.019 0.000 2.483 315 A HA 0.011 4.331 4.320 0.000 0.000 0.238 315 A C 0.953 178.556 177.584 0.031 0.000 1.070 315 A CA -0.041 52.014 52.037 0.030 0.000 0.770 315 A CB 0.399 19.423 19.000 0.040 0.000 1.008 315 A HN 0.036 nan 8.150 nan 0.000 0.497 316 K N 0.247 120.668 120.400 0.034 0.000 2.362 316 K HA 0.013 4.333 4.320 0.000 0.000 0.200 316 K C 0.604 177.224 176.600 0.033 0.000 1.046 316 K CA 1.282 57.587 56.287 0.031 0.000 0.952 316 K CB -0.366 32.153 32.500 0.031 0.000 0.753 316 K HN 0.678 nan 8.250 nan 0.000 0.466 317 S N 0.012 115.735 115.700 0.039 0.000 2.595 317 S HA 0.145 4.615 4.470 0.000 0.000 0.270 317 S C -0.375 174.257 174.600 0.053 0.000 1.145 317 S CA -0.587 57.640 58.200 0.046 0.000 0.825 317 S CB 0.672 63.890 63.200 0.030 0.000 1.107 317 S HN 0.197 nan 8.310 nan 0.000 0.461 318 N N 2.218 120.957 118.700 0.066 0.000 2.412 318 N HA 0.076 4.816 4.740 0.000 0.000 0.184 318 N C 0.744 176.310 175.510 0.094 0.000 1.101 318 N CA -0.054 53.042 53.050 0.076 0.000 0.881 318 N CB -0.502 38.030 38.487 0.075 0.000 0.969 318 N HN 0.712 nan 8.380 nan 0.000 0.459 319 I N 1.050 121.664 120.570 0.073 0.000 2.906 319 I HA -0.164 4.006 4.170 0.000 0.000 0.301 319 I C 0.164 176.328 176.117 0.080 0.000 1.221 319 I CA 0.666 62.001 61.300 0.058 0.000 1.435 319 I CB 0.578 38.516 38.000 -0.104 0.000 1.345 319 I HN 0.133 nan 8.210 nan 0.000 0.558 320 T N 4.400 119.028 114.554 0.123 0.000 3.479 320 T HA 0.090 4.440 4.350 0.000 0.000 0.197 320 T C 0.385 175.143 174.700 0.096 0.000 0.912 320 T CA -0.071 62.103 62.100 0.123 0.000 1.281 320 T CB 0.057 69.014 68.868 0.150 0.000 1.588 320 T HN 0.572 nan 8.240 nan 0.000 0.389 321 T N 4.191 118.823 114.554 0.130 0.000 2.928 321 T HA 0.224 4.574 4.350 0.000 0.000 0.305 321 T C 0.583 175.388 174.700 0.174 0.000 1.035 321 T CA -0.284 61.880 62.100 0.105 0.000 1.145 321 T CB 0.334 69.275 68.868 0.122 0.000 0.963 321 T HN 0.513 nan 8.240 nan 0.000 0.545 322 N N 2.166 120.916 118.700 0.083 0.000 2.123 322 N HA 0.570 5.310 4.740 0.000 0.000 0.202 322 N C -0.421 175.167 175.510 0.131 0.000 1.383 322 N CA -0.527 52.571 53.050 0.080 0.000 0.990 322 N CB 0.203 38.670 38.487 -0.032 0.000 1.258 322 N HN 0.535 nan 8.380 nan 0.000 0.335 323 A N -1.064 121.784 122.820 0.047 0.000 3.234 323 A HA 0.309 4.629 4.320 0.000 0.000 0.247 323 A C 0.684 178.204 177.584 -0.107 0.000 0.938 323 A CA -0.298 51.762 52.037 0.039 0.000 1.039 323 A CB 0.067 19.158 19.000 0.151 0.000 1.197 323 A HN 0.389 nan 8.150 nan 0.000 0.498 324 Q N -0.083 119.630 119.800 -0.145 0.000 2.061 324 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 324 Q C 1.720 177.541 176.000 -0.298 0.000 0.984 324 Q CA 2.381 58.036 55.803 -0.247 0.000 0.846 324 Q CB -0.297 28.327 28.738 -0.190 0.000 0.902 324 Q HN 0.722 nan 8.270 nan 0.000 0.421 325 L N -0.132 120.975 121.223 -0.194 0.000 2.046 325 L HA -0.156 4.184 4.340 0.000 0.000 0.208 325 L C 2.226 178.953 176.870 -0.238 0.000 1.077 325 L CA 2.520 57.247 54.840 -0.188 0.000 0.747 325 L CB -1.058 40.948 42.059 -0.089 0.000 0.896 325 L HN 0.537 nan 8.230 nan 0.000 0.432 326 T N -3.208 111.230 114.554 -0.193 0.000 2.867 326 T HA -0.067 4.283 4.350 0.000 0.000 0.268 326 T C 1.899 176.261 174.700 -0.563 0.000 1.057 326 T CA 0.868 62.871 62.100 -0.162 0.000 1.136 326 T CB -0.834 68.088 68.868 0.090 0.000 0.874 326 T HN 0.347 nan 8.240 nan 0.000 0.466 327 A N 1.461 123.727 122.820 -0.923 0.000 1.933 327 A HA 0.134 4.454 4.320 0.000 0.000 0.218 327 A C 2.267 179.175 177.584 -1.127 0.000 1.175 327 A CA 1.131 52.122 52.037 -1.743 0.000 0.628 327 A CB -0.819 17.255 19.000 -1.543 0.000 0.814 327 A HN 0.415 nan 8.150 nan 0.000 0.444 328 L N -0.792 120.002 121.223 -0.715 0.000 2.141 328 L HA -0.048 4.293 4.340 0.000 0.000 0.209 328 L C 2.623 179.290 176.870 -0.338 0.000 1.094 328 L CA 1.552 56.104 54.840 -0.481 0.000 0.763 328 L CB -0.747 41.028 42.059 -0.473 0.000 0.908 328 L HN 0.400 nan 8.230 nan 0.000 0.437 329 M N -1.516 117.904 119.600 -0.301 0.000 2.117 329 M HA -0.125 4.355 4.480 0.000 0.000 0.262 329 M C 2.214 178.477 176.300 -0.062 0.000 1.065 329 M CA 1.767 56.979 55.300 -0.147 0.000 1.114 329 M CB -0.935 31.612 32.600 -0.088 0.000 1.361 329 M HN 0.358 nan 8.290 nan 0.000 0.408 330 G N -0.024 108.703 108.800 -0.121 0.000 2.418 330 G HA2 -0.127 3.833 3.960 0.000 0.000 0.217 330 G HA3 -0.127 3.833 3.960 0.000 0.000 0.217 330 G C 1.634 176.609 174.900 0.124 0.000 1.158 330 G CA 0.953 46.110 45.100 0.095 0.000 0.771 330 G HN 0.531 nan 8.290 nan 0.000 0.545 331 A N 0.749 123.583 122.820 0.023 0.000 1.902 331 A HA -0.013 4.307 4.320 0.000 0.000 0.217 331 A C 2.475 180.070 177.584 0.019 0.000 1.181 331 A CA 1.898 53.970 52.037 0.059 0.000 0.623 331 A CB -0.383 18.642 19.000 0.042 0.000 0.818 331 A HN 0.395 nan 8.150 nan 0.000 0.443 332 M N -2.405 117.184 119.600 -0.018 0.000 2.117 332 M HA -0.137 4.343 4.480 0.000 0.000 0.262 332 M C 2.252 178.582 176.300 0.049 0.000 1.065 332 M CA 1.938 57.231 55.300 -0.012 0.000 1.114 332 M CB -0.531 32.044 32.600 -0.041 0.000 1.361 332 M HN 0.593 nan 8.290 nan 0.000 0.408 333 Y N 1.260 121.544 120.300 -0.026 0.000 2.114 333 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 333 Y C 2.050 177.949 175.900 -0.003 0.000 1.143 333 Y CA 1.543 59.640 58.100 -0.005 0.000 1.135 333 Y CB -0.248 38.219 38.460 0.012 0.000 0.980 333 Y HN 0.003 nan 8.280 nan 0.000 0.499 334 L N 0.246 121.529 121.223 0.100 0.000 2.042 334 L HA -0.223 4.117 4.340 0.000 0.000 0.210 334 L C 2.649 179.475 176.870 -0.073 0.000 1.076 334 L CA 2.071 56.910 54.840 -0.002 0.000 0.749 334 L CB -1.999 40.085 42.059 0.042 0.000 0.893 334 L HN 0.420 nan 8.230 nan 0.000 0.432 335 A N -1.102 121.688 122.820 -0.049 0.000 1.968 335 A HA -0.015 4.305 4.320 0.000 0.000 0.217 335 A C 2.459 179.998 177.584 -0.074 0.000 1.169 335 A CA 1.396 53.400 52.037 -0.054 0.000 0.638 335 A CB -0.580 18.398 19.000 -0.036 0.000 0.812 335 A HN 0.380 nan 8.150 nan 0.000 0.446 336 A N -0.761 121.999 122.820 -0.100 0.000 1.930 336 A HA 0.070 4.390 4.320 0.000 0.000 0.217 336 A C 1.979 179.472 177.584 -0.151 0.000 1.175 336 A CA 1.422 53.393 52.037 -0.111 0.000 0.627 336 A CB -0.267 18.668 19.000 -0.108 0.000 0.815 336 A HN 0.377 nan 8.150 nan 0.000 0.443 337 L N -1.862 119.220 121.223 -0.236 0.000 2.253 337 L HA 0.239 4.579 4.340 0.000 0.000 0.205 337 L C 1.522 178.315 176.870 -0.129 0.000 1.078 337 L CA 1.698 56.408 54.840 -0.217 0.000 0.805 337 L CB -1.995 39.857 42.059 -0.344 0.000 0.963 337 L HN 0.626 nan 8.230 nan 0.000 0.459 338 G N 0.329 109.061 108.800 -0.114 0.000 2.782 338 G HA2 -0.216 3.744 3.960 0.000 0.000 0.228 338 G HA3 -0.216 3.744 3.960 0.000 0.000 0.228 338 G C -1.671 173.191 174.900 -0.063 0.000 1.372 338 G CA -0.101 44.955 45.100 -0.074 0.000 0.862 338 G HN 0.128 nan 8.290 nan 0.000 0.547 339 P HA -0.105 nan 4.420 nan 0.000 0.215 339 P C 1.319 178.602 177.300 -0.029 0.000 1.157 339 P CA 2.099 65.177 63.100 -0.036 0.000 0.868 339 P CB 0.119 31.800 31.700 -0.032 0.000 0.788 340 E N 0.267 120.450 120.200 -0.029 0.000 2.152 340 E HA -0.052 4.298 4.350 0.000 0.000 0.192 340 E C 2.300 178.885 176.600 -0.026 0.000 0.983 340 E CA 1.593 57.980 56.400 -0.022 0.000 0.818 340 E CB -1.373 28.315 29.700 -0.021 0.000 0.758 340 E HN 0.205 nan 8.360 nan 0.000 0.467 341 G N 0.520 109.294 108.800 -0.044 0.000 2.408 341 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 341 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 341 G C 1.507 176.375 174.900 -0.053 0.000 1.150 341 G CA 0.841 45.907 45.100 -0.056 0.000 0.776 341 G HN 0.339 nan 8.290 nan 0.000 0.542 342 L N 0.440 121.631 121.223 -0.054 0.000 2.027 342 L HA 0.164 4.504 4.340 0.000 0.000 0.206 342 L C 2.780 179.665 176.870 0.025 0.000 1.074 342 L CA 1.901 56.731 54.840 -0.017 0.000 0.745 342 L CB -0.490 41.562 42.059 -0.011 0.000 0.898 342 L HN 0.231 nan 8.230 nan 0.000 0.433 343 R N -0.420 120.090 120.500 0.017 0.000 2.091 343 R HA -0.218 4.122 4.340 0.000 0.000 0.238 343 R C 2.154 178.473 176.300 0.031 0.000 1.136 343 R CA 2.018 58.138 56.100 0.034 0.000 0.959 343 R CB -0.240 30.070 30.300 0.018 0.000 0.856 343 R HN 0.504 nan 8.270 nan 0.000 0.437 344 E N -0.466 119.743 120.200 0.014 0.000 2.051 344 E HA -0.177 4.173 4.350 0.000 0.000 0.192 344 E C 1.998 178.614 176.600 0.025 0.000 0.991 344 E CA 1.685 58.091 56.400 0.011 0.000 0.799 344 E CB 0.038 29.738 29.700 0.000 0.000 0.748 344 E HN 0.173 nan 8.360 nan 0.000 0.449 345 V N 1.253 121.192 119.914 0.041 0.000 2.295 345 V HA -0.288 3.832 4.120 0.000 0.000 0.246 345 V C 2.304 178.451 176.094 0.088 0.000 1.049 345 V CA 1.860 64.206 62.300 0.076 0.000 1.024 345 V CB -0.763 31.125 31.823 0.108 0.000 0.648 345 V HN 0.335 nan 8.190 nan 0.000 0.447 346 A N -0.246 122.630 122.820 0.094 0.000 1.865 346 A HA -0.194 4.126 4.320 0.000 0.000 0.217 346 A C 2.247 179.834 177.584 0.005 0.000 1.191 346 A CA 1.986 54.097 52.037 0.124 0.000 0.623 346 A CB -0.643 18.491 19.000 0.223 0.000 0.826 346 A HN 0.480 nan 8.150 nan 0.000 0.444 347 L N -1.061 120.160 121.223 -0.004 0.000 2.012 347 L HA -0.241 4.099 4.340 0.000 0.000 0.210 347 L C 2.680 179.497 176.870 -0.088 0.000 1.073 347 L CA 1.995 56.789 54.840 -0.076 0.000 0.748 347 L CB -0.391 41.645 42.059 -0.038 0.000 0.891 347 L HN 0.350 nan 8.230 nan 0.000 0.431 348 K N 0.365 120.752 120.400 -0.023 0.000 2.057 348 K HA -0.167 4.153 4.320 0.000 0.000 0.207 348 K C 2.289 178.900 176.600 0.019 0.000 1.049 348 K CA 1.811 58.099 56.287 0.002 0.000 0.931 348 K CB -0.329 32.191 32.500 0.033 0.000 0.714 348 K HN 0.396 nan 8.250 nan 0.000 0.440 349 S N -0.743 114.981 115.700 0.040 0.000 2.383 349 S HA -0.107 4.363 4.470 0.000 0.000 0.227 349 S C 2.058 176.663 174.600 0.009 0.000 1.026 349 S CA 1.274 59.526 58.200 0.087 0.000 0.981 349 S CB -0.708 62.601 63.200 0.181 0.000 0.818 349 S HN 0.039 nan 8.310 nan 0.000 0.472 350 V N 2.413 122.214 119.914 -0.188 0.000 2.295 350 V HA -0.181 3.939 4.120 0.000 0.000 0.246 350 V C 2.857 178.813 176.094 -0.229 0.000 1.049 350 V CA 2.252 64.345 62.300 -0.345 0.000 1.024 350 V CB -0.908 30.497 31.823 -0.696 0.000 0.648 350 V HN 0.636 nan 8.190 nan 0.000 0.447 351 E N -0.276 119.810 120.200 -0.191 0.000 2.038 351 E HA -0.269 4.081 4.350 0.000 0.000 0.195 351 E C 2.282 178.913 176.600 0.050 0.000 1.000 351 E CA 1.722 58.058 56.400 -0.107 0.000 0.803 351 E CB -0.096 29.564 29.700 -0.065 0.000 0.750 351 E HN 0.356 nan 8.360 nan 0.000 0.448 352 M N 0.250 119.909 119.600 0.099 0.000 2.213 352 M HA -0.090 4.390 4.480 0.000 0.000 0.263 352 M C 2.325 178.778 176.300 0.254 0.000 1.062 352 M CA 1.376 56.781 55.300 0.175 0.000 1.105 352 M CB -1.181 31.548 32.600 0.215 0.000 1.385 352 M HN 0.230 nan 8.290 nan 0.000 0.417 353 A N -0.796 122.214 122.820 0.316 0.000 1.929 353 A HA -0.146 4.174 4.320 0.000 0.000 0.216 353 A C 1.991 179.920 177.584 0.576 0.000 1.176 353 A CA 1.203 53.546 52.037 0.509 0.000 0.628 353 A CB -1.006 18.331 19.000 0.561 0.000 0.816 353 A HN 0.576 nan 8.150 nan 0.000 0.444 354 H N -0.542 118.670 119.070 0.236 0.000 2.428 354 H HA -0.012 4.544 4.556 0.000 0.000 0.296 354 H C 1.842 177.224 175.328 0.090 0.000 1.062 354 H CA 1.249 57.376 56.048 0.133 0.000 1.350 354 H CB 0.137 29.861 29.762 -0.064 0.000 1.403 354 H HN 0.471 nan 8.280 nan 0.000 0.533 355 K N 0.471 120.994 120.400 0.205 0.000 2.103 355 K HA -0.098 4.222 4.320 0.000 0.000 0.204 355 K C 2.100 178.743 176.600 0.072 0.000 1.052 355 K CA 0.511 56.864 56.287 0.110 0.000 0.945 355 K CB 0.034 32.588 32.500 0.091 0.000 0.722 355 K HN 0.043 nan 8.250 nan 0.000 0.443 356 L N 1.031 122.323 121.223 0.115 0.000 2.056 356 L HA -0.174 4.166 4.340 0.000 0.000 0.207 356 L C 2.391 179.238 176.870 -0.038 0.000 1.078 356 L CA 1.832 56.700 54.840 0.047 0.000 0.749 356 L CB -0.675 41.473 42.059 0.147 0.000 0.901 356 L HN 0.296 nan 8.230 nan 0.000 0.433 357 H N -0.101 118.814 119.070 -0.259 0.000 2.319 357 H HA -0.162 4.394 4.556 0.000 0.000 0.299 357 H C 1.910 177.032 175.328 -0.342 0.000 1.092 357 H CA 1.816 57.446 56.048 -0.697 0.000 1.302 357 H CB 0.077 29.201 29.762 -1.063 0.000 1.373 357 H HN 0.460 nan 8.280 nan 0.000 0.497 358 A N 1.321 124.125 122.820 -0.026 0.000 1.883 358 A HA -0.126 4.194 4.320 0.000 0.000 0.217 358 A C 2.963 180.477 177.584 -0.116 0.000 1.186 358 A CA 1.527 53.544 52.037 -0.034 0.000 0.624 358 A CB -0.909 18.103 19.000 0.019 0.000 0.822 358 A HN 0.433 nan 8.150 nan 0.000 0.444 359 L N -1.302 119.851 121.223 -0.115 0.000 2.027 359 L HA -0.151 4.189 4.340 0.000 0.000 0.206 359 L C 2.344 179.100 176.870 -0.191 0.000 1.074 359 L CA 0.714 55.475 54.840 -0.131 0.000 0.745 359 L CB -0.543 41.444 42.059 -0.120 0.000 0.898 359 L HN 0.269 nan 8.230 nan 0.000 0.433 360 L N -0.566 120.501 121.223 -0.259 0.000 2.261 360 L HA -0.194 4.146 4.340 0.000 0.000 0.216 360 L C 2.168 178.866 176.870 -0.288 0.000 1.114 360 L CA 1.330 55.983 54.840 -0.312 0.000 0.777 360 L CB -0.745 41.065 42.059 -0.416 0.000 0.910 360 L HN 0.166 nan 8.230 nan 0.000 0.440 361 L N -0.922 120.119 121.223 -0.303 0.000 2.456 361 L HA -0.127 4.213 4.340 0.000 0.000 0.224 361 L C 2.180 178.955 176.870 -0.159 0.000 1.148 361 L CA 1.266 55.954 54.840 -0.253 0.000 0.825 361 L CB -0.557 41.349 42.059 -0.256 0.000 0.937 361 L HN 0.374 nan 8.230 nan 0.000 0.450 362 E N -1.631 118.483 120.200 -0.145 0.000 2.447 362 E HA 0.056 4.406 4.350 0.000 0.000 0.195 362 E C 0.387 176.927 176.600 -0.101 0.000 1.028 362 E CA -0.169 56.167 56.400 -0.106 0.000 0.876 362 E CB 0.408 30.052 29.700 -0.093 0.000 0.885 362 E HN 0.131 nan 8.360 nan 0.000 0.500 363 V N 4.760 124.601 119.914 -0.122 0.000 2.585 363 V HA 0.026 4.146 4.120 0.000 0.000 0.296 363 V C -1.900 174.145 176.094 -0.082 0.000 1.035 363 V CA -1.212 61.023 62.300 -0.108 0.000 1.084 363 V CB 0.155 31.899 31.823 -0.132 0.000 0.953 363 V HN 0.083 nan 8.190 nan 0.000 0.483 364 P HA 0.119 nan 4.420 nan 0.000 0.265 364 P C 0.916 178.191 177.300 -0.041 0.000 1.193 364 P CA 1.122 64.193 63.100 -0.048 0.000 0.765 364 P CB 0.780 32.456 31.700 -0.040 0.000 0.823 365 G N 1.536 110.316 108.800 -0.033 0.000 2.212 365 G HA2 -0.230 3.730 3.960 0.000 0.000 0.266 365 G HA3 -0.230 3.730 3.960 0.000 0.000 0.266 365 G C 0.080 174.967 174.900 -0.021 0.000 0.978 365 G CA 0.089 45.176 45.100 -0.022 0.000 0.632 365 G HN 0.553 nan 8.290 nan 0.000 0.537 366 V N 1.470 121.362 119.914 -0.038 0.000 2.583 366 V HA 0.643 4.763 4.120 0.000 0.000 0.287 366 V C 0.770 176.840 176.094 -0.040 0.000 1.051 366 V CA -0.137 62.138 62.300 -0.041 0.000 1.010 366 V CB 1.341 33.115 31.823 -0.082 0.000 0.988 366 V HN 0.425 nan 8.190 nan 0.000 0.478 367 R N 4.959 125.452 120.500 -0.011 0.000 2.744 367 R HA 0.491 4.831 4.340 0.000 0.000 0.279 367 R C -2.837 173.482 176.300 0.032 0.000 0.977 367 R CA -1.807 54.296 56.100 0.005 0.000 0.906 367 R CB 2.670 32.996 30.300 0.042 0.000 1.197 367 R HN 0.450 nan 8.270 nan 0.000 0.463 368 P HA 0.109 nan 4.420 nan 0.000 0.277 368 P C -0.740 176.668 177.300 0.180 0.000 1.240 368 P CA -0.063 63.077 63.100 0.066 0.000 0.798 368 P CB 0.969 32.700 31.700 0.051 0.000 0.979 369 F N 0.605 120.592 119.950 0.062 0.000 2.268 369 F HA 0.183 4.710 4.527 0.000 0.000 0.262 369 F C 0.660 176.499 175.800 0.065 0.000 0.910 369 F CA 0.487 58.522 58.000 0.059 0.000 1.142 369 F CB -0.304 38.727 39.000 0.052 0.000 1.229 369 F HN 0.078 nan 8.300 nan 0.000 0.781 370 T N 5.281 119.951 114.554 0.193 0.000 2.871 370 T HA 0.139 4.489 4.350 0.000 0.000 0.296 370 T C -2.379 172.351 174.700 0.050 0.000 0.998 370 T CA -0.614 61.531 62.100 0.075 0.000 1.162 370 T CB 0.365 69.266 68.868 0.055 0.000 0.947 370 T HN 0.091 nan 8.240 nan 0.000 0.536 371 P HA 0.328 nan 4.420 nan 0.000 0.279 371 P C -0.496 176.895 177.300 0.152 0.000 1.252 371 P CA -0.813 62.319 63.100 0.053 0.000 0.811 371 P CB 1.133 32.825 31.700 -0.014 0.000 1.035 372 K N 1.725 122.180 120.400 0.093 0.000 2.237 372 K HA 0.326 4.646 4.320 0.000 0.000 0.270 372 K C -1.688 174.921 176.600 0.015 0.000 1.015 372 K CA -1.293 54.999 56.287 0.008 0.000 0.949 372 K CB -0.089 32.349 32.500 -0.103 0.000 0.976 372 K HN 0.478 nan 8.250 nan 0.000 0.472 373 P HA 0.239 nan 4.420 nan 0.000 0.288 373 P C -1.210 176.135 177.300 0.074 0.000 1.267 373 P CA -0.469 62.600 63.100 -0.051 0.000 0.815 373 P CB 0.579 32.277 31.700 -0.003 0.000 0.989 374 F N 0.422 120.414 119.950 0.070 0.000 2.618 374 F HA 0.611 5.138 4.527 0.000 0.000 0.332 374 F C 0.148 176.163 175.800 0.358 0.000 1.061 374 F CA -1.256 56.833 58.000 0.148 0.000 0.974 374 F CB 0.193 39.227 39.000 0.056 0.000 1.310 374 F HN 0.158 nan 8.300 nan 0.000 0.491 375 F N 1.111 121.352 119.950 0.484 0.000 2.506 375 F HA 0.292 4.819 4.527 0.000 0.000 0.215 375 F C 1.700 177.806 175.800 0.511 0.000 1.168 375 F CA 0.787 59.015 58.000 0.380 0.000 0.942 375 F CB -0.207 38.930 39.000 0.228 0.000 1.083 375 F HN 0.652 nan 8.300 nan 0.000 0.661 376 N N -0.734 118.203 118.700 0.395 0.000 2.214 376 N HA 0.181 4.921 4.740 0.000 0.000 0.214 376 N C -0.811 174.887 175.510 0.313 0.000 1.132 376 N CA -0.012 53.211 53.050 0.288 0.000 0.856 376 N CB 0.701 39.285 38.487 0.161 0.000 1.020 376 N HN 0.326 nan 8.380 nan 0.000 0.509 377 E N 0.591 120.978 120.200 0.312 0.000 2.383 377 E HA 0.438 4.788 4.350 0.000 0.000 0.275 377 E C -1.682 174.923 176.600 0.009 0.000 0.918 377 E CA -0.919 55.505 56.400 0.040 0.000 0.764 377 E CB 2.150 31.822 29.700 -0.046 0.000 1.252 377 E HN 0.235 nan 8.360 nan 0.000 0.449 378 F N -0.912 118.929 119.950 -0.182 0.000 2.678 378 F HA 0.780 5.307 4.527 0.000 0.000 0.308 378 F C -1.567 174.148 175.800 -0.142 0.000 1.118 378 F CA -1.206 56.585 58.000 -0.349 0.000 0.959 378 F CB 0.813 39.286 39.000 -0.877 0.000 1.305 378 F HN 0.421 nan 8.300 nan 0.000 0.443 379 A N 3.150 126.035 122.820 0.109 0.000 2.317 379 A HA 0.865 5.185 4.320 0.000 0.000 0.327 379 A C -1.334 176.432 177.584 0.303 0.000 1.178 379 A CA -0.772 51.329 52.037 0.106 0.000 0.817 379 A CB 0.974 19.989 19.000 0.025 0.000 1.189 379 A HN 0.834 nan 8.150 nan 0.000 0.489 380 L N 1.442 122.834 121.223 0.283 0.000 2.341 380 L HA 0.716 5.056 4.340 0.000 0.000 0.267 380 L C 0.419 177.374 176.870 0.142 0.000 1.009 380 L CA -0.888 54.103 54.840 0.252 0.000 0.819 380 L CB 2.133 44.350 42.059 0.264 0.000 1.323 380 L HN 0.779 nan 8.230 nan 0.000 0.425 381 A N 3.507 126.398 122.820 0.118 0.000 2.289 381 A HA 0.701 5.021 4.320 0.000 0.000 0.298 381 A C -0.575 177.038 177.584 0.048 0.000 1.208 381 A CA -0.354 51.714 52.037 0.051 0.000 0.845 381 A CB 0.236 19.289 19.000 0.087 0.000 1.125 381 A HN 0.606 nan 8.150 nan 0.000 0.517 382 L N 4.208 125.450 121.223 0.032 0.000 2.331 382 L HA 0.447 4.787 4.340 0.000 0.000 0.275 382 L C -1.266 175.612 176.870 0.014 0.000 1.022 382 L CA -1.951 52.908 54.840 0.033 0.000 0.812 382 L CB 2.057 44.146 42.059 0.051 0.000 1.257 382 L HN 0.567 nan 8.230 nan 0.000 0.435 383 P HA -0.004 nan 4.420 nan 0.000 0.242 383 P C -0.307 176.994 177.300 0.001 0.000 1.197 383 P CA 0.872 63.974 63.100 0.002 0.000 0.765 383 P CB 0.391 32.089 31.700 -0.005 0.000 0.936 384 K N -0.289 120.113 120.400 0.004 0.000 2.509 384 K HA 0.257 4.577 4.320 0.000 0.000 0.266 384 K C -1.056 175.544 176.600 0.001 0.000 0.987 384 K CA -0.911 55.377 56.287 0.002 0.000 0.868 384 K CB 1.250 33.752 32.500 0.003 0.000 1.421 384 K HN -0.289 nan 8.250 nan 0.000 0.444 385 D N 2.391 122.790 120.400 -0.002 0.000 2.487 385 D HA -0.018 4.622 4.640 0.000 0.000 0.243 385 D C -1.313 174.982 176.300 -0.008 0.000 1.154 385 D CA -1.226 52.771 54.000 -0.006 0.000 0.876 385 D CB 0.925 41.723 40.800 -0.003 0.000 1.161 385 D HN 0.103 nan 8.370 nan 0.000 0.478 386 P HA -0.214 nan 4.420 nan 0.000 0.216 386 P C 0.751 178.035 177.300 -0.027 0.000 1.153 386 P CA 1.372 64.451 63.100 -0.035 0.000 0.858 386 P CB 0.184 31.846 31.700 -0.064 0.000 0.789 387 E N 0.042 120.232 120.200 -0.016 0.000 2.077 387 E HA -0.136 4.214 4.350 0.000 0.000 0.193 387 E C 2.282 178.886 176.600 0.007 0.000 0.989 387 E CA 1.262 57.661 56.400 -0.003 0.000 0.800 387 E CB -0.525 29.176 29.700 0.003 0.000 0.746 387 E HN 0.202 nan 8.360 nan 0.000 0.452 388 A N 1.035 123.858 122.820 0.006 0.000 1.877 388 A HA -0.138 4.182 4.320 0.000 0.000 0.216 388 A C 2.531 180.124 177.584 0.014 0.000 1.186 388 A CA 1.152 53.195 52.037 0.010 0.000 0.620 388 A CB -0.689 18.316 19.000 0.007 0.000 0.822 388 A HN 0.110 nan 8.150 nan 0.000 0.443 389 V N 0.198 120.119 119.914 0.012 0.000 2.295 389 V HA -0.278 3.842 4.120 0.000 0.000 0.246 389 V C 2.669 178.780 176.094 0.028 0.000 1.049 389 V CA 2.347 64.659 62.300 0.020 0.000 1.024 389 V CB -0.818 31.022 31.823 0.028 0.000 0.648 389 V HN 0.695 nan 8.190 nan 0.000 0.447 390 R N -0.257 120.253 120.500 0.017 0.000 2.103 390 R HA -0.203 4.137 4.340 0.000 0.000 0.242 390 R C 2.572 178.904 176.300 0.052 0.000 1.142 390 R CA 1.608 57.727 56.100 0.033 0.000 0.960 390 R CB -0.265 30.045 30.300 0.017 0.000 0.858 390 R HN 0.305 nan 8.270 nan 0.000 0.439 391 R N 0.169 120.693 120.500 0.040 0.000 2.070 391 R HA -0.087 4.253 4.340 0.000 0.000 0.233 391 R C 2.113 178.437 176.300 0.040 0.000 1.137 391 R CA 1.691 57.816 56.100 0.041 0.000 0.945 391 R CB -0.548 29.771 30.300 0.032 0.000 0.845 391 R HN 0.356 nan 8.270 nan 0.000 0.430 392 A N 0.906 123.746 122.820 0.034 0.000 1.902 392 A HA -0.150 4.170 4.320 0.000 0.000 0.217 392 A C 2.129 179.742 177.584 0.048 0.000 1.181 392 A CA 0.945 53.002 52.037 0.033 0.000 0.623 392 A CB -0.485 18.528 19.000 0.021 0.000 0.818 392 A HN 0.210 nan 8.150 nan 0.000 0.443 393 L N -0.291 120.966 121.223 0.058 0.000 2.012 393 L HA -0.139 4.201 4.340 0.000 0.000 0.210 393 L C 2.934 179.883 176.870 0.133 0.000 1.073 393 L CA 2.015 56.912 54.840 0.095 0.000 0.748 393 L CB -1.119 41.004 42.059 0.106 0.000 0.891 393 L HN 0.404 nan 8.230 nan 0.000 0.431 394 A N -1.094 121.767 122.820 0.069 0.000 1.933 394 A HA -0.217 4.103 4.320 0.000 0.000 0.218 394 A C 2.133 179.716 177.584 -0.001 0.000 1.175 394 A CA 1.602 53.630 52.037 -0.014 0.000 0.628 394 A CB -0.510 18.486 19.000 -0.006 0.000 0.814 394 A HN 0.560 nan 8.150 nan 0.000 0.444 395 E N -0.395 119.825 120.200 0.034 0.000 2.204 395 E HA -0.158 4.192 4.350 0.000 0.000 0.195 395 E C 1.626 178.258 176.600 0.054 0.000 0.990 395 E CA 0.914 57.334 56.400 0.033 0.000 0.821 395 E CB -0.133 29.588 29.700 0.034 0.000 0.750 395 E HN 0.569 nan 8.360 nan 0.000 0.477 396 R N -0.404 120.162 120.500 0.110 0.000 2.334 396 R HA 0.124 4.464 4.340 0.000 0.000 0.220 396 R C 0.945 177.371 176.300 0.209 0.000 0.917 396 R CA 0.470 56.682 56.100 0.186 0.000 1.073 396 R CB 0.630 31.076 30.300 0.244 0.000 1.056 396 R HN 0.207 nan 8.270 nan 0.000 0.506 397 G N 0.666 109.493 108.800 0.044 0.000 2.157 397 G HA2 -0.273 3.687 3.960 0.000 0.000 0.248 397 G HA3 -0.273 3.687 3.960 0.000 0.000 0.248 397 G C -0.159 174.524 174.900 -0.361 0.000 0.979 397 G CA -0.304 44.690 45.100 -0.177 0.000 0.650 397 G HN 0.217 nan 8.290 nan 0.000 0.529 398 F N 1.092 120.998 119.950 -0.073 0.000 2.469 398 F HA 0.609 5.136 4.527 0.000 0.000 0.332 398 F C 0.540 176.310 175.800 -0.049 0.000 1.103 398 F CA -1.107 56.895 58.000 0.002 0.000 0.979 398 F CB 1.362 40.414 39.000 0.087 0.000 1.137 398 F HN -0.003 nan 8.300 nan 0.000 0.463 399 H N 1.854 121.111 119.070 0.313 0.000 2.641 399 H HA 0.649 5.205 4.556 0.000 0.000 0.295 399 H C 0.204 175.693 175.328 0.269 0.000 1.070 399 H CA -0.445 55.734 56.048 0.218 0.000 1.257 399 H CB 1.040 30.884 29.762 0.138 0.000 1.393 399 H HN 0.839 nan 8.280 nan 0.000 0.464 400 G N 0.394 109.372 108.800 0.297 0.000 2.559 400 G HA2 0.466 4.426 3.960 0.000 0.000 0.291 400 G HA3 0.466 4.426 3.960 0.000 0.000 0.291 400 G C -0.983 173.892 174.900 -0.041 0.000 1.424 400 G CA -0.135 45.081 45.100 0.194 0.000 0.786 400 G HN 0.649 nan 8.290 nan 0.000 0.485 401 A N -0.429 122.120 122.820 -0.453 0.000 2.482 401 A HA 0.073 4.393 4.320 0.000 0.000 0.283 401 A C 0.399 177.733 177.584 -0.417 0.000 1.411 401 A CA 0.754 52.358 52.037 -0.722 0.000 0.725 401 A CB -2.159 16.679 19.000 -0.270 0.000 1.140 401 A HN 1.793 nan 8.150 nan 0.000 0.375 402 T N 4.615 118.897 114.554 -0.453 0.000 2.750 402 T HA 0.437 4.787 4.350 0.000 0.000 0.286 402 T C -1.744 172.821 174.700 -0.226 0.000 0.911 402 T CA 0.075 62.023 62.100 -0.254 0.000 1.130 402 T CB 0.334 69.060 68.868 -0.237 0.000 0.873 402 T HN 0.608 nan 8.240 nan 0.000 0.536 403 P HA 0.055 nan 4.420 nan 0.000 0.262 403 P C -0.543 176.732 177.300 -0.042 0.000 1.182 403 P CA -0.131 62.916 63.100 -0.088 0.000 0.761 403 P CB 0.512 32.187 31.700 -0.042 0.000 0.795 404 V N 6.518 126.407 119.914 -0.042 0.000 2.370 404 V HA 0.228 4.348 4.120 0.000 0.000 0.279 404 V C -1.617 174.535 176.094 0.097 0.000 1.029 404 V CA -1.915 60.414 62.300 0.049 0.000 0.870 404 V CB 0.942 32.739 31.823 -0.044 0.000 0.984 404 V HN 0.576 nan 8.190 nan 0.000 0.451 405 P HA 0.070 nan 4.420 nan 0.000 0.264 405 P C 0.386 177.751 177.300 0.108 0.000 1.183 405 P CA -0.093 63.071 63.100 0.106 0.000 0.763 405 P CB 0.738 32.485 31.700 0.078 0.000 0.807 406 R N 1.890 122.408 120.500 0.030 0.000 2.316 406 R HA -0.192 4.148 4.340 0.000 0.000 0.232 406 R C 2.130 178.419 176.300 -0.018 0.000 1.137 406 R CA 1.694 57.797 56.100 0.004 0.000 1.012 406 R CB -0.575 29.718 30.300 -0.012 0.000 0.859 406 R HN 0.663 nan 8.270 nan 0.000 0.474 407 E N -0.769 119.389 120.200 -0.070 0.000 2.265 407 E HA -0.235 4.115 4.350 0.000 0.000 0.196 407 E C 0.703 177.168 176.600 -0.225 0.000 0.996 407 E CA 1.207 57.496 56.400 -0.185 0.000 0.832 407 E CB -0.203 29.308 29.700 -0.316 0.000 0.756 407 E HN 0.483 nan 8.360 nan 0.000 0.491 408 Y N 0.697 120.989 120.300 -0.014 0.000 2.500 408 Y HA 0.348 4.898 4.550 0.000 0.000 0.270 408 Y C 1.146 177.018 175.900 -0.047 0.000 1.134 408 Y CA 0.548 58.657 58.100 0.016 0.000 1.293 408 Y CB 1.345 39.824 38.460 0.032 0.000 1.063 408 Y HN 0.253 nan 8.280 nan 0.000 0.534 409 G N -0.388 108.430 108.800 0.030 0.000 2.369 409 G HA2 0.028 3.988 3.960 0.000 0.000 0.307 409 G HA3 0.028 3.988 3.960 0.000 0.000 0.307 409 G C -1.594 173.249 174.900 -0.095 0.000 1.327 409 G CA -1.184 43.881 45.100 -0.058 0.000 0.963 409 G HN -0.199 nan 8.290 nan 0.000 0.590 410 E N 0.923 121.073 120.200 -0.083 0.000 2.313 410 E HA 0.338 4.688 4.350 0.000 0.000 0.272 410 E C 0.502 177.049 176.600 -0.090 0.000 1.038 410 E CA -0.630 55.732 56.400 -0.063 0.000 0.863 410 E CB 0.657 30.341 29.700 -0.025 0.000 1.060 410 E HN 0.554 nan 8.360 nan 0.000 0.402 411 N N 1.034 119.696 118.700 -0.063 0.000 2.708 411 N HA -0.222 4.518 4.740 0.000 0.000 0.251 411 N C -0.665 174.795 175.510 -0.083 0.000 1.017 411 N CA 0.721 53.737 53.050 -0.055 0.000 0.742 411 N CB -1.153 37.317 38.487 -0.029 0.000 0.943 411 N HN 0.371 nan 8.380 nan 0.000 0.539 412 L N -0.171 120.973 121.223 -0.131 0.000 2.343 412 L HA 0.766 5.106 4.340 0.000 0.000 0.275 412 L C 0.620 177.407 176.870 -0.139 0.000 1.056 412 L CA -0.658 54.077 54.840 -0.175 0.000 0.804 412 L CB 1.750 43.615 42.059 -0.323 0.000 1.203 412 L HN 0.173 nan 8.230 nan 0.000 0.440 413 A N 3.406 126.142 122.820 -0.139 0.000 2.455 413 A HA 0.707 5.027 4.320 0.000 0.000 0.300 413 A C -1.096 176.261 177.584 -0.378 0.000 1.040 413 A CA -0.512 51.367 52.037 -0.264 0.000 0.697 413 A CB 1.388 20.218 19.000 -0.284 0.000 1.265 413 A HN 0.611 nan 8.150 nan 0.000 0.407 414 L N 1.492 122.397 121.223 -0.531 0.000 2.334 414 L HA 0.643 4.983 4.340 0.000 0.000 0.277 414 L C -1.087 175.279 176.870 -0.840 0.000 1.075 414 L CA -0.244 54.254 54.840 -0.569 0.000 0.804 414 L CB 1.117 42.856 42.059 -0.533 0.000 1.174 414 L HN 0.709 nan 8.230 nan 0.000 0.438 415 F N 1.201 120.769 119.950 -0.637 0.000 2.576 415 F HA 0.766 5.293 4.527 -0.000 0.000 0.313 415 F C 0.102 175.533 175.800 -0.615 0.000 1.078 415 F CA -0.566 57.070 58.000 -0.607 0.000 0.921 415 F CB 2.106 40.639 39.000 -0.779 0.000 1.232 415 F HN 0.421 nan 8.300 nan 0.000 0.459 416 A N 1.295 124.091 122.820 -0.040 0.000 2.539 416 A HA 0.980 5.300 4.320 0.000 0.000 0.296 416 A C -1.726 175.986 177.584 0.213 0.000 1.073 416 A CA -0.555 51.503 52.037 0.035 0.000 0.700 416 A CB 1.583 20.581 19.000 -0.003 0.000 1.296 416 A HN 1.184 nan 8.150 nan 0.000 0.405 417 A N 0.239 123.201 122.820 0.237 0.000 2.498 417 A HA 0.969 5.289 4.320 0.000 0.000 0.298 417 A C -0.075 177.679 177.584 0.284 0.000 1.075 417 A CA 0.112 52.349 52.037 0.334 0.000 0.714 417 A CB 1.408 20.614 19.000 0.343 0.000 1.299 417 A HN 2.159 nan 8.150 nan 0.000 0.407 418 T N -1.945 112.816 114.554 0.345 0.000 2.742 418 T HA 0.521 4.871 4.350 0.000 0.000 0.282 418 T C 0.670 175.421 174.700 0.084 0.000 1.025 418 T CA 0.186 62.329 62.100 0.072 0.000 1.020 418 T CB 1.220 69.928 68.868 -0.267 0.000 1.317 418 T HN 0.744 nan 8.240 nan 0.000 0.538 419 E N 0.566 120.830 120.200 0.106 0.000 2.472 419 E HA -0.054 4.296 4.350 0.000 0.000 0.200 419 E C 1.526 178.128 176.600 0.003 0.000 1.046 419 E CA 0.801 57.248 56.400 0.079 0.000 0.871 419 E CB -0.540 29.229 29.700 0.115 0.000 0.806 419 E HN 0.727 nan 8.360 nan 0.000 0.533 420 L N 0.117 121.271 121.223 -0.114 0.000 2.446 420 L HA 0.089 4.429 4.340 0.000 0.000 0.219 420 L C 0.622 177.361 176.870 -0.217 0.000 1.116 420 L CA 0.178 54.895 54.840 -0.205 0.000 0.844 420 L CB -0.289 41.556 42.059 -0.356 0.000 0.970 420 L HN 0.061 nan 8.230 nan 0.000 0.457 421 H N 0.384 119.438 119.070 -0.026 0.000 2.610 421 H HA 0.260 4.816 4.556 0.000 0.000 0.336 421 H C -0.319 175.051 175.328 0.071 0.000 1.087 421 H CA -0.228 55.834 56.048 0.023 0.000 1.405 421 H CB 0.932 30.743 29.762 0.081 0.000 1.460 421 H HN 0.098 nan 8.280 nan 0.000 0.538 422 E N 1.697 122.032 120.200 0.225 0.000 2.249 422 E HA 0.060 4.410 4.350 0.000 0.000 0.263 422 E C 0.511 177.208 176.600 0.161 0.000 0.950 422 E CA -0.657 55.835 56.400 0.152 0.000 0.827 422 E CB 1.738 31.502 29.700 0.107 0.000 1.220 422 E HN 0.635 nan 8.360 nan 0.000 0.411 423 E N 1.185 121.453 120.200 0.113 0.000 2.086 423 E HA -0.294 4.056 4.350 0.000 0.000 0.200 423 E C 1.632 178.288 176.600 0.095 0.000 1.012 423 E CA 2.208 58.663 56.400 0.092 0.000 0.812 423 E CB 0.000 29.737 29.700 0.062 0.000 0.743 423 E HN 0.575 nan 8.360 nan 0.000 0.453 424 E N 0.197 120.457 120.200 0.099 0.000 2.209 424 E HA -0.230 4.120 4.350 0.000 0.000 0.196 424 E C 1.199 177.889 176.600 0.150 0.000 0.993 424 E CA 1.388 57.850 56.400 0.103 0.000 0.819 424 E CB -0.142 29.615 29.700 0.094 0.000 0.745 424 E HN 0.273 nan 8.360 nan 0.000 0.477 425 D N 1.466 121.992 120.400 0.211 0.000 2.117 425 D HA -0.084 4.556 4.640 0.000 0.000 0.198 425 D C 2.266 178.736 176.300 0.283 0.000 0.982 425 D CA 0.915 55.119 54.000 0.339 0.000 0.828 425 D CB -0.149 40.931 40.800 0.467 0.000 0.967 425 D HN 0.273 nan 8.370 nan 0.000 0.464 426 L N 0.536 121.852 121.223 0.154 0.000 2.017 426 L HA -0.141 4.199 4.340 0.000 0.000 0.208 426 L C 2.717 179.518 176.870 -0.114 0.000 1.073 426 L CA 0.800 55.600 54.840 -0.067 0.000 0.745 426 L CB -0.614 41.436 42.059 -0.015 0.000 0.894 426 L HN 0.015 nan 8.230 nan 0.000 0.432 427 L N 0.029 121.233 121.223 -0.031 0.000 2.012 427 L HA -0.223 4.117 4.340 0.000 0.000 0.210 427 L C 2.956 179.784 176.870 -0.070 0.000 1.073 427 L CA 1.320 56.130 54.840 -0.051 0.000 0.748 427 L CB -0.769 41.286 42.059 -0.008 0.000 0.891 427 L HN 0.276 nan 8.230 nan 0.000 0.431 428 A N -0.075 122.752 122.820 0.012 0.000 1.933 428 A HA -0.235 4.085 4.320 0.000 0.000 0.218 428 A C 2.202 179.620 177.584 -0.275 0.000 1.175 428 A CA 1.792 53.853 52.037 0.040 0.000 0.628 428 A CB -0.649 18.550 19.000 0.331 0.000 0.814 428 A HN 0.361 nan 8.150 nan 0.000 0.444 429 L N -0.244 120.817 121.223 -0.270 0.000 2.056 429 L HA -0.069 4.271 4.340 0.000 0.000 0.207 429 L C 2.408 178.980 176.870 -0.496 0.000 1.078 429 L CA 2.375 56.882 54.840 -0.555 0.000 0.749 429 L CB -0.562 41.124 42.059 -0.622 0.000 0.901 429 L HN 0.457 nan 8.230 nan 0.000 0.433 430 R N -0.685 119.596 120.500 -0.364 0.000 2.073 430 R HA -0.166 4.174 4.340 0.000 0.000 0.234 430 R C 2.148 178.294 176.300 -0.257 0.000 1.134 430 R CA 1.532 57.456 56.100 -0.294 0.000 0.952 430 R CB -0.195 29.969 30.300 -0.227 0.000 0.850 430 R HN 0.363 nan 8.270 nan 0.000 0.433 431 E N 0.414 120.472 120.200 -0.237 0.000 2.085 431 E HA -0.188 4.162 4.350 0.000 0.000 0.194 431 E C 1.860 178.320 176.600 -0.233 0.000 0.994 431 E CA 1.449 57.736 56.400 -0.189 0.000 0.801 431 E CB -0.331 29.291 29.700 -0.132 0.000 0.743 431 E HN 0.496 nan 8.360 nan 0.000 0.453 432 A N 1.087 123.664 122.820 -0.406 0.000 1.902 432 A HA -0.159 4.161 4.320 0.000 0.000 0.217 432 A C 2.263 179.695 177.584 -0.254 0.000 1.181 432 A CA 1.317 53.107 52.037 -0.412 0.000 0.623 432 A CB -0.638 17.822 19.000 -0.899 0.000 0.818 432 A HN 0.255 nan 8.150 nan 0.000 0.443 433 L N 0.214 121.280 121.223 -0.262 0.000 2.012 433 L HA -0.189 4.151 4.340 0.000 0.000 0.210 433 L C 2.242 179.042 176.870 -0.117 0.000 1.073 433 L CA 2.333 57.079 54.840 -0.157 0.000 0.748 433 L CB -0.524 41.432 42.059 -0.172 0.000 0.891 433 L HN 0.367 nan 8.230 nan 0.000 0.431 434 K N -0.781 119.540 120.400 -0.131 0.000 2.147 434 K HA -0.156 4.164 4.320 0.000 0.000 0.205 434 K C 1.930 178.486 176.600 -0.073 0.000 1.049 434 K CA 1.264 57.494 56.287 -0.095 0.000 0.936 434 K CB -0.234 32.209 32.500 -0.096 0.000 0.722 434 K HN 0.389 nan 8.250 nan 0.000 0.446 435 E N 0.691 120.843 120.200 -0.080 0.000 2.072 435 E HA -0.134 4.216 4.350 0.000 0.000 0.191 435 E C 2.210 178.788 176.600 -0.038 0.000 0.985 435 E CA 1.393 57.761 56.400 -0.053 0.000 0.801 435 E CB -0.257 29.411 29.700 -0.052 0.000 0.750 435 E HN 0.288 nan 8.360 nan 0.000 0.452 436 V N -0.959 118.930 119.914 -0.041 0.000 2.871 436 V HA -0.033 4.087 4.120 0.000 0.000 0.256 436 V C 1.083 177.166 176.094 -0.019 0.000 1.082 436 V CA 0.449 62.736 62.300 -0.022 0.000 1.105 436 V CB -0.216 31.598 31.823 -0.014 0.000 0.713 436 V HN -0.086 nan 8.190 nan 0.000 0.473 437 L N 0.000 121.206 121.223 -0.028 0.000 2.949 437 L HA 0.000 4.340 4.340 0.000 0.000 0.249 437 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 437 L CB 0.000 42.041 42.059 -0.030 0.000 0.961 437 L HN 0.000 nan 8.230 nan 0.000 0.502