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 1bls_1_A DATA FIRST_RESID 2 DATA SEQUENCE PVSEKQLAEV VANTITPLMK AQSVPGMAVA VIYQGKPHYY TFGKADIAAN DATA SEQUENCE KPVTPQTLFE LGSISKTFTG VLGGDAIARG EISLDDAVTR YWPQLTGKQW DATA SEQUENCE QGIRMLDLAT YTAGGLPLQV PDEVTDNASL LRFYQNWQPQ WKPGTTRLYA DATA SEQUENCE NASIGLFGAL AVKPSGMPYE QAMTTRVLKP LKLDHTWINV PKAEEAHYAW DATA SEQUENCE GYRDGKAVRV SPGMLDAQAY GVKTNVQDMA NWVMANMAPE NVADASLKQG DATA SEQUENCE IALAQSRYWR IGSMYQGLGW EMLNWPVEAN TVVEGSDSKV ALAPLPVAEV DATA SEQUENCE NPPAPPVKAS WVHKTGSTGG FGSYVAFIPE KQIGIVMLAN TSYPNPARVE DATA SEQUENCE AAYHILEAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.343 177.300 0.072 0.000 1.155 2 P CA 0.000 63.122 63.100 0.037 0.000 0.800 2 P CB 0.000 31.666 31.700 -0.056 0.000 0.726 3 V N -2.203 117.791 119.914 0.133 0.000 6.301 3 V HA 0.238 4.357 4.120 -0.001 0.000 0.074 3 V C 0.870 177.048 176.094 0.139 0.000 0.900 3 V CA 0.823 63.200 62.300 0.127 0.000 0.972 3 V CB -0.810 31.058 31.823 0.076 0.000 1.634 3 V HN 0.997 nan 8.190 nan 0.000 0.644 4 S N 1.047 116.796 115.700 0.080 0.000 3.214 4 S HA -0.336 4.133 4.470 -0.001 0.000 0.342 4 S C 1.083 175.683 174.600 -0.001 0.000 1.204 4 S CA 1.629 59.848 58.200 0.032 0.000 0.984 4 S CB -2.073 61.134 63.200 0.012 0.000 0.975 4 S HN 0.881 nan 8.310 nan 0.000 0.607 5 E N 1.540 121.756 120.200 0.027 0.000 2.136 5 E HA -0.238 4.111 4.350 -0.001 0.000 0.208 5 E C 1.934 178.544 176.600 0.017 0.000 1.035 5 E CA 1.760 58.170 56.400 0.017 0.000 0.838 5 E CB -0.294 29.448 29.700 0.071 0.000 0.748 5 E HN 0.574 nan 8.360 nan 0.000 0.459 6 K N 0.774 121.189 120.400 0.025 0.000 2.155 6 K HA -0.079 4.240 4.320 -0.001 0.000 0.203 6 K C 2.141 178.743 176.600 0.003 0.000 1.052 6 K CA 0.875 57.179 56.287 0.027 0.000 0.948 6 K CB -0.166 32.351 32.500 0.028 0.000 0.728 6 K HN 0.183 nan 8.250 nan 0.000 0.448 7 Q N -0.010 119.780 119.800 -0.016 0.000 2.079 7 Q HA -0.079 4.261 4.340 -0.001 0.000 0.200 7 Q C 2.088 178.041 176.000 -0.079 0.000 0.974 7 Q CA 0.997 56.776 55.803 -0.039 0.000 0.840 7 Q CB -0.018 28.697 28.738 -0.038 0.000 0.898 7 Q HN 0.128 nan 8.270 nan 0.000 0.430 8 L N 0.015 121.171 121.223 -0.112 0.000 2.017 8 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 8 L C 2.109 178.875 176.870 -0.172 0.000 1.073 8 L CA 1.892 56.623 54.840 -0.182 0.000 0.745 8 L CB -0.482 41.421 42.059 -0.259 0.000 0.894 8 L HN 0.188 nan 8.230 nan 0.000 0.432 9 A N -1.228 121.553 122.820 -0.065 0.000 2.019 9 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 9 A C 2.193 179.719 177.584 -0.097 0.000 1.164 9 A CA 1.805 53.813 52.037 -0.048 0.000 0.644 9 A CB -0.528 18.568 19.000 0.160 0.000 0.805 9 A HN 0.597 nan 8.150 nan 0.000 0.449 10 E N -0.489 119.674 120.200 -0.063 0.000 2.046 10 E HA -0.085 4.264 4.350 -0.001 0.000 0.190 10 E C 2.027 178.585 176.600 -0.070 0.000 0.982 10 E CA 1.110 57.484 56.400 -0.043 0.000 0.800 10 E CB -0.150 29.534 29.700 -0.027 0.000 0.756 10 E HN 0.377 nan 8.360 nan 0.000 0.449 11 V N 0.956 120.810 119.914 -0.099 0.000 2.252 11 V HA -0.289 3.830 4.120 -0.001 0.000 0.249 11 V C 2.366 178.396 176.094 -0.106 0.000 1.056 11 V CA 1.616 63.859 62.300 -0.095 0.000 1.022 11 V CB -0.636 31.121 31.823 -0.110 0.000 0.641 11 V HN 0.143 nan 8.190 nan 0.000 0.445 12 V N 0.365 120.164 119.914 -0.192 0.000 2.261 12 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 12 V C 2.757 178.787 176.094 -0.107 0.000 1.047 12 V CA 2.157 64.331 62.300 -0.209 0.000 1.015 12 V CB -1.385 30.106 31.823 -0.554 0.000 0.642 12 V HN 0.557 nan 8.190 nan 0.000 0.446 13 A N 0.489 123.275 122.820 -0.057 0.000 1.883 13 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 13 A C 2.024 179.581 177.584 -0.045 0.000 1.186 13 A CA 2.357 54.413 52.037 0.031 0.000 0.624 13 A CB -0.845 18.219 19.000 0.106 0.000 0.822 13 A HN 0.585 nan 8.150 nan 0.000 0.444 14 N N -0.671 118.005 118.700 -0.040 0.000 2.289 14 N HA -0.072 4.667 4.740 -0.001 0.000 0.184 14 N C 1.545 177.030 175.510 -0.042 0.000 1.016 14 N CA 1.805 54.834 53.050 -0.036 0.000 0.872 14 N CB -0.397 38.074 38.487 -0.027 0.000 0.973 14 N HN 0.549 nan 8.380 nan 0.000 0.433 15 T N 0.393 114.918 114.554 -0.048 0.000 2.983 15 T HA 0.176 4.525 4.350 -0.001 0.000 0.250 15 T C 1.735 176.390 174.700 -0.075 0.000 1.037 15 T CA 0.075 62.162 62.100 -0.022 0.000 1.142 15 T CB 0.313 69.199 68.868 0.030 0.000 0.876 15 T HN 0.026 nan 8.240 nan 0.000 0.455 16 I N 1.982 122.454 120.570 -0.162 0.000 2.353 16 I HA -0.066 4.103 4.170 -0.001 0.000 0.248 16 I C 2.577 178.488 176.117 -0.343 0.000 1.119 16 I CA 1.270 62.387 61.300 -0.305 0.000 1.417 16 I CB -1.776 35.890 38.000 -0.556 0.000 1.078 16 I HN 0.223 nan 8.210 nan 0.000 0.421 17 T N 2.448 116.828 114.554 -0.291 0.000 2.635 17 T HA -0.105 4.245 4.350 -0.001 0.000 0.267 17 T C -0.281 174.338 174.700 -0.136 0.000 1.040 17 T CA 1.972 63.954 62.100 -0.198 0.000 1.156 17 T CB -1.291 67.518 68.868 -0.098 0.000 0.863 17 T HN 0.251 nan 8.240 nan 0.000 0.430 18 P HA 0.059 nan 4.420 nan 0.000 0.219 18 P C 1.729 178.975 177.300 -0.091 0.000 1.150 18 P CA 0.523 63.579 63.100 -0.073 0.000 0.814 18 P CB -0.181 31.492 31.700 -0.045 0.000 0.787 19 L N -1.083 120.068 121.223 -0.119 0.000 2.017 19 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 19 L C 2.286 179.027 176.870 -0.215 0.000 1.073 19 L CA 1.993 56.739 54.840 -0.158 0.000 0.745 19 L CB -0.587 41.373 42.059 -0.165 0.000 0.894 19 L HN -0.013 nan 8.230 nan 0.000 0.432 20 M N -0.723 118.749 119.600 -0.214 0.000 2.159 20 M HA -0.211 4.269 4.480 -0.001 0.000 0.263 20 M C 2.124 178.347 176.300 -0.127 0.000 1.063 20 M CA 1.440 56.627 55.300 -0.188 0.000 1.110 20 M CB -0.426 32.076 32.600 -0.164 0.000 1.374 20 M HN 0.144 nan 8.290 nan 0.000 0.411 21 K N 0.633 120.972 120.400 -0.102 0.000 2.025 21 K HA 0.017 4.336 4.320 -0.001 0.000 0.207 21 K C 2.144 178.707 176.600 -0.062 0.000 1.049 21 K CA 1.599 57.845 56.287 -0.068 0.000 0.933 21 K CB -0.757 31.712 32.500 -0.052 0.000 0.714 21 K HN 0.309 nan 8.250 nan 0.000 0.438 22 A N 1.587 124.365 122.820 -0.070 0.000 1.898 22 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 22 A C 1.857 179.409 177.584 -0.053 0.000 1.181 22 A CA 1.206 53.212 52.037 -0.052 0.000 0.620 22 A CB -0.136 18.837 19.000 -0.045 0.000 0.819 22 A HN 0.230 nan 8.150 nan 0.000 0.442 23 Q N 0.179 119.922 119.800 -0.095 0.000 2.280 23 Q HA 0.096 4.435 4.340 -0.001 0.000 0.201 23 Q C 0.247 176.204 176.000 -0.073 0.000 0.890 23 Q CA 0.674 56.426 55.803 -0.086 0.000 0.947 23 Q CB -0.051 28.571 28.738 -0.193 0.000 1.081 23 Q HN 0.853 nan 8.270 nan 0.000 0.502 24 S N -0.784 114.872 115.700 -0.073 0.000 3.292 24 S HA -0.133 4.337 4.470 -0.001 0.000 0.360 24 S C 0.159 174.730 174.600 -0.048 0.000 0.930 24 S CA 0.074 58.241 58.200 -0.056 0.000 1.317 24 S CB -2.408 60.771 63.200 -0.036 0.000 0.920 24 S HN 0.146 nan 8.310 nan 0.000 0.540 25 V N 2.762 122.630 119.914 -0.075 0.000 2.432 25 V HA 0.291 4.411 4.120 -0.001 0.000 0.275 25 V C -0.656 175.441 176.094 0.004 0.000 1.043 25 V CA -1.593 60.687 62.300 -0.033 0.000 0.925 25 V CB 1.051 32.804 31.823 -0.117 0.000 0.985 25 V HN 0.384 nan 8.190 nan 0.000 0.466 26 P HA 0.069 nan 4.420 nan 0.000 0.215 26 P C 0.579 177.947 177.300 0.115 0.000 1.157 26 P CA 1.044 64.162 63.100 0.029 0.000 0.863 26 P CB 0.259 31.953 31.700 -0.010 0.000 0.787 27 G N -1.649 107.273 108.800 0.205 0.000 2.704 27 G HA2 0.673 4.632 3.960 -0.001 0.000 0.293 27 G HA3 0.673 4.632 3.960 -0.001 0.000 0.293 27 G C -1.998 173.140 174.900 0.397 0.000 1.421 27 G CA -0.417 44.862 45.100 0.298 0.000 0.870 27 G HN 0.076 nan 8.290 nan 0.000 0.492 28 M N 0.943 120.809 119.600 0.443 0.000 2.365 28 M HA 0.680 5.159 4.480 -0.001 0.000 0.287 28 M C -1.353 175.222 176.300 0.459 0.000 1.154 28 M CA -0.586 54.954 55.300 0.400 0.000 0.941 28 M CB 2.149 34.910 32.600 0.268 0.000 1.704 28 M HN 0.987 nan 8.290 nan 0.000 0.479 29 A N 3.983 126.947 122.820 0.240 0.000 2.303 29 A HA 0.836 5.155 4.320 -0.001 0.000 0.320 29 A C -1.474 176.237 177.584 0.211 0.000 1.192 29 A CA -0.574 51.601 52.037 0.230 0.000 0.821 29 A CB 1.230 20.350 19.000 0.201 0.000 1.188 29 A HN 0.621 nan 8.150 nan 0.000 0.492 30 V N 1.089 121.205 119.914 0.336 0.000 2.789 30 V HA 0.823 4.942 4.120 -0.001 0.000 0.311 30 V C 0.053 176.381 176.094 0.391 0.000 1.073 30 V CA -0.226 62.293 62.300 0.365 0.000 0.921 30 V CB 1.895 33.999 31.823 0.468 0.000 1.009 30 V HN 1.359 nan 8.190 nan 0.000 0.426 31 A N 3.697 126.703 122.820 0.311 0.000 2.381 31 A HA 0.864 5.183 4.320 -0.001 0.000 0.299 31 A C -1.265 176.424 177.584 0.175 0.000 1.049 31 A CA -0.510 51.661 52.037 0.224 0.000 0.715 31 A CB 1.808 20.946 19.000 0.229 0.000 1.222 31 A HN 0.686 nan 8.150 nan 0.000 0.428 32 V N 3.552 123.572 119.914 0.177 0.000 2.409 32 V HA 0.448 4.567 4.120 -0.001 0.000 0.291 32 V C -0.353 175.832 176.094 0.153 0.000 1.020 32 V CA -0.363 62.035 62.300 0.163 0.000 0.848 32 V CB 1.219 33.153 31.823 0.184 0.000 0.990 32 V HN 0.867 nan 8.190 nan 0.000 0.430 33 I N 4.942 125.568 120.570 0.093 0.000 2.321 33 I HA 0.637 4.806 4.170 -0.001 0.000 0.291 33 I C -1.272 174.951 176.117 0.177 0.000 0.998 33 I CA -0.118 61.226 61.300 0.074 0.000 1.227 33 I CB 0.932 38.910 38.000 -0.037 0.000 1.368 33 I HN 0.620 nan 8.210 nan 0.000 0.466 34 Y N 7.510 127.846 120.300 0.061 0.000 2.315 34 Y HA 0.325 4.874 4.550 -0.001 0.000 0.324 34 Y C -0.753 175.174 175.900 0.046 0.000 1.062 34 Y CA -0.723 57.408 58.100 0.053 0.000 1.159 34 Y CB 1.205 39.708 38.460 0.073 0.000 1.145 34 Y HN 0.841 nan 8.280 nan 0.000 0.442 35 Q N 3.945 123.603 119.800 -0.236 0.000 2.453 35 Q HA -0.210 4.129 4.340 -0.001 0.000 0.330 35 Q C 0.828 176.740 176.000 -0.146 0.000 1.417 35 Q CA 1.049 56.700 55.803 -0.254 0.000 0.902 35 Q CB -2.262 26.248 28.738 -0.380 0.000 1.154 35 Q HN 1.772 nan 8.270 nan 0.000 0.395 36 G N -0.138 108.595 108.800 -0.112 0.000 2.187 36 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.261 36 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.261 36 G C 0.022 174.859 174.900 -0.104 0.000 1.000 36 G CA 0.943 45.981 45.100 -0.103 0.000 0.718 36 G HN 0.554 nan 8.290 nan 0.000 0.519 37 K N 0.963 121.303 120.400 -0.101 0.000 2.502 37 K HA 0.580 4.899 4.320 -0.001 0.000 0.254 37 K C -2.514 173.921 176.600 -0.275 0.000 0.947 37 K CA -2.290 53.886 56.287 -0.184 0.000 0.834 37 K CB 2.604 34.989 32.500 -0.191 0.000 1.112 37 K HN 0.011 nan 8.250 nan 0.000 0.427 38 P HA 0.188 nan 4.420 nan 0.000 0.280 38 P C -1.238 175.578 177.300 -0.806 0.000 1.244 38 P CA -0.333 62.490 63.100 -0.461 0.000 0.784 38 P CB 0.779 32.234 31.700 -0.409 0.000 0.913 39 H N 1.442 120.193 119.070 -0.532 0.000 2.658 39 H HA 0.420 4.975 4.556 -0.001 0.000 0.337 39 H C -0.626 174.286 175.328 -0.693 0.000 1.009 39 H CA -0.230 55.506 56.048 -0.521 0.000 1.231 39 H CB 0.643 30.305 29.762 -0.167 0.000 1.508 39 H HN 0.312 nan 8.280 nan 0.000 0.517 40 Y N 2.313 122.427 120.300 -0.310 0.000 2.342 40 Y HA 0.392 4.942 4.550 -0.001 0.000 0.334 40 Y C -0.691 174.823 175.900 -0.644 0.000 1.067 40 Y CA -0.821 57.101 58.100 -0.296 0.000 1.128 40 Y CB 0.737 39.108 38.460 -0.148 0.000 1.200 40 Y HN 0.542 nan 8.280 nan 0.000 0.464 41 Y N 0.478 120.873 120.300 0.159 0.000 2.406 41 Y HA 0.612 5.161 4.550 -0.001 0.000 0.340 41 Y C -0.175 175.627 175.900 -0.163 0.000 0.975 41 Y CA -1.046 57.017 58.100 -0.062 0.000 1.056 41 Y CB 2.333 40.818 38.460 0.042 0.000 1.210 41 Y HN 0.465 nan 8.280 nan 0.000 0.448 42 T N 4.315 118.660 114.554 -0.350 0.000 2.861 42 T HA 0.754 5.104 4.350 -0.001 0.000 0.287 42 T C -1.359 173.022 174.700 -0.532 0.000 1.003 42 T CA -0.758 61.207 62.100 -0.225 0.000 0.977 42 T CB 0.742 69.594 68.868 -0.028 0.000 0.996 42 T HN 0.309 nan 8.240 nan 0.000 0.448 43 F N 0.399 120.458 119.950 0.182 0.000 2.601 43 F HA 0.682 5.209 4.527 -0.001 0.000 0.309 43 F C 0.965 176.853 175.800 0.147 0.000 1.089 43 F CA -0.479 57.608 58.000 0.145 0.000 0.940 43 F CB 1.355 40.428 39.000 0.122 0.000 1.273 43 F HN 0.938 nan 8.300 nan 0.000 0.450 44 G N 1.944 110.927 108.800 0.304 0.000 2.564 44 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.273 44 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.273 44 G C -1.015 173.988 174.900 0.171 0.000 1.242 44 G CA -0.495 44.727 45.100 0.202 0.000 0.951 44 G HN 0.559 nan 8.290 nan 0.000 0.564 45 K N 0.413 120.903 120.400 0.149 0.000 2.164 45 K HA 0.729 5.048 4.320 -0.001 0.000 0.258 45 K C 1.077 177.783 176.600 0.177 0.000 0.951 45 K CA -0.083 56.287 56.287 0.138 0.000 0.844 45 K CB 1.554 34.108 32.500 0.089 0.000 1.099 45 K HN 0.880 nan 8.250 nan 0.000 0.435 46 A N 1.176 124.092 122.820 0.160 0.000 1.956 46 A HA -0.015 4.304 4.320 -0.001 0.000 0.212 46 A C 0.149 177.878 177.584 0.241 0.000 1.188 46 A CA 1.078 53.197 52.037 0.138 0.000 0.675 46 A CB 0.170 19.213 19.000 0.073 0.000 0.845 46 A HN 0.642 nan 8.150 nan 0.000 0.455 47 D N -0.971 119.573 120.400 0.241 0.000 2.476 47 D HA 0.430 5.069 4.640 -0.001 0.000 0.251 47 D C 0.708 177.122 176.300 0.190 0.000 1.291 47 D CA -0.460 53.725 54.000 0.307 0.000 0.939 47 D CB 0.705 41.686 40.800 0.302 0.000 1.221 47 D HN 0.155 nan 8.370 nan 0.000 0.567 48 I N 2.208 122.881 120.570 0.170 0.000 2.113 48 I HA -0.229 3.940 4.170 -0.001 0.000 0.238 48 I C 2.432 178.556 176.117 0.012 0.000 1.070 48 I CA 1.262 62.567 61.300 0.008 0.000 1.332 48 I CB -0.264 37.625 38.000 -0.186 0.000 1.044 48 I HN 0.435 nan 8.210 nan 0.000 0.402 49 A N 0.914 123.743 122.820 0.016 0.000 1.865 49 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 49 A C 2.392 179.981 177.584 0.008 0.000 1.191 49 A CA 2.171 54.201 52.037 -0.012 0.000 0.623 49 A CB -0.933 18.036 19.000 -0.051 0.000 0.826 49 A HN 0.470 nan 8.150 nan 0.000 0.444 50 A N -1.567 121.275 122.820 0.037 0.000 2.238 50 A HA 0.146 4.465 4.320 -0.001 0.000 0.208 50 A C 0.905 178.520 177.584 0.052 0.000 1.177 50 A CA 0.585 52.651 52.037 0.048 0.000 0.804 50 A CB -0.737 18.309 19.000 0.078 0.000 0.823 50 A HN 0.646 nan 8.150 nan 0.000 0.482 51 N N -0.437 118.294 118.700 0.052 0.000 2.705 51 N HA -0.145 4.595 4.740 -0.001 0.000 0.255 51 N C -0.887 174.660 175.510 0.062 0.000 1.008 51 N CA 0.761 53.840 53.050 0.049 0.000 0.742 51 N CB -0.569 37.937 38.487 0.030 0.000 0.906 51 N HN 0.586 nan 8.380 nan 0.000 0.541 52 K N 1.077 121.528 120.400 0.085 0.000 2.185 52 K HA 0.404 4.723 4.320 -0.001 0.000 0.269 52 K C -2.182 174.477 176.600 0.097 0.000 0.987 52 K CA -1.448 54.892 56.287 0.089 0.000 0.865 52 K CB 1.531 34.092 32.500 0.102 0.000 1.090 52 K HN 0.108 nan 8.250 nan 0.000 0.450 53 P HA 0.092 nan 4.420 nan 0.000 0.276 53 P C -0.478 176.889 177.300 0.110 0.000 1.252 53 P CA -0.529 62.630 63.100 0.097 0.000 0.802 53 P CB 0.753 32.499 31.700 0.077 0.000 1.035 54 V N 1.345 121.343 119.914 0.139 0.000 2.583 54 V HA 0.375 4.495 4.120 -0.001 0.000 0.287 54 V C 0.942 177.115 176.094 0.132 0.000 1.051 54 V CA 0.383 62.789 62.300 0.177 0.000 1.010 54 V CB 0.626 32.630 31.823 0.302 0.000 0.988 54 V HN 0.861 nan 8.190 nan 0.000 0.478 55 T N 2.361 116.984 114.554 0.115 0.000 2.901 55 T HA 0.478 4.828 4.350 -0.001 0.000 0.293 55 T C -2.369 172.351 174.700 0.035 0.000 1.084 55 T CA -2.090 60.039 62.100 0.047 0.000 1.008 55 T CB 2.150 71.021 68.868 0.005 0.000 1.170 55 T HN 0.323 nan 8.240 nan 0.000 0.509 56 P HA -0.051 nan 4.420 nan 0.000 0.226 56 P C 1.048 178.254 177.300 -0.156 0.000 1.146 56 P CA 0.955 63.965 63.100 -0.149 0.000 0.773 56 P CB 0.070 31.591 31.700 -0.298 0.000 0.772 57 Q N -2.037 117.666 119.800 -0.162 0.000 2.282 57 Q HA 0.104 4.444 4.340 -0.001 0.000 0.206 57 Q C 0.254 176.146 176.000 -0.180 0.000 0.878 57 Q CA 0.425 56.061 55.803 -0.278 0.000 0.944 57 Q CB -0.190 28.240 28.738 -0.515 0.000 1.100 57 Q HN 0.191 nan 8.270 nan 0.000 0.509 58 T N 2.512 117.060 114.554 -0.010 0.000 2.888 58 T HA 0.210 4.559 4.350 -0.001 0.000 0.301 58 T C 0.326 175.083 174.700 0.096 0.000 1.001 58 T CA 0.137 62.266 62.100 0.047 0.000 1.147 58 T CB 0.457 69.349 68.868 0.040 0.000 0.931 58 T HN 0.101 nan 8.240 nan 0.000 0.541 59 L N 4.138 125.386 121.223 0.042 0.000 2.292 59 L HA 0.516 4.856 4.340 -0.001 0.000 0.284 59 L C -0.452 176.413 176.870 -0.009 0.000 1.065 59 L CA -0.501 54.370 54.840 0.051 0.000 0.806 59 L CB 0.375 42.408 42.059 -0.044 0.000 1.175 59 L HN 0.539 nan 8.230 nan 0.000 0.431 60 F N 0.591 120.574 119.950 0.055 0.000 2.579 60 F HA 0.392 4.918 4.527 -0.001 0.000 0.324 60 F C 0.320 175.930 175.800 -0.317 0.000 1.058 60 F CA -0.826 57.206 58.000 0.053 0.000 0.944 60 F CB 1.603 40.762 39.000 0.265 0.000 1.245 60 F HN 0.377 nan 8.300 nan 0.000 0.477 61 E N 2.011 121.818 120.200 -0.655 0.000 2.200 61 E HA 0.249 4.598 4.350 -0.001 0.000 0.283 61 E C 0.399 176.924 176.600 -0.124 0.000 1.015 61 E CA -0.149 55.934 56.400 -0.527 0.000 0.819 61 E CB 1.181 30.392 29.700 -0.815 0.000 1.081 61 E HN 0.607 nan 8.360 nan 0.000 0.397 62 L N 2.764 123.972 121.223 -0.025 0.000 2.313 62 L HA 0.044 4.383 4.340 -0.001 0.000 0.214 62 L C 1.380 178.319 176.870 0.115 0.000 1.119 62 L CA 0.703 55.587 54.840 0.074 0.000 0.809 62 L CB -0.660 41.436 42.059 0.063 0.000 0.933 62 L HN 0.915 nan 8.230 nan 0.000 0.449 63 G N 0.224 109.094 108.800 0.117 0.000 2.574 63 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.286 63 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.286 63 G C 0.790 175.807 174.900 0.196 0.000 1.212 63 G CA 0.308 45.512 45.100 0.174 0.000 0.979 63 G HN 0.229 nan 8.290 nan 0.000 0.557 64 S N 0.284 116.104 115.700 0.199 0.000 2.493 64 S HA -0.012 4.458 4.470 -0.001 0.000 0.243 64 S C 2.235 176.938 174.600 0.172 0.000 0.991 64 S CA 1.474 59.808 58.200 0.223 0.000 0.957 64 S CB -0.198 63.174 63.200 0.287 0.000 0.756 64 S HN 0.496 nan 8.310 nan 0.000 0.521 65 I N 1.424 122.079 120.570 0.142 0.000 2.756 65 I HA -0.099 4.070 4.170 -0.001 0.000 0.262 65 I C 1.908 178.110 176.117 0.142 0.000 1.225 65 I CA 0.487 61.850 61.300 0.105 0.000 1.472 65 I CB -0.332 37.748 38.000 0.133 0.000 1.094 65 I HN 0.195 nan 8.210 nan 0.000 0.454 66 S N 0.832 116.629 115.700 0.163 0.000 2.442 66 S HA -0.151 4.319 4.470 -0.001 0.000 0.236 66 S C 1.837 176.557 174.600 0.200 0.000 1.007 66 S CA 1.082 59.392 58.200 0.183 0.000 0.965 66 S CB -0.161 63.075 63.200 0.060 0.000 0.773 66 S HN 0.454 nan 8.310 nan 0.000 0.504 67 K N 1.053 121.535 120.400 0.136 0.000 2.283 67 K HA -0.061 4.258 4.320 -0.001 0.000 0.202 67 K C 2.370 178.992 176.600 0.037 0.000 1.048 67 K CA 1.481 57.837 56.287 0.116 0.000 0.948 67 K CB -0.359 32.230 32.500 0.149 0.000 0.742 67 K HN 0.569 nan 8.250 nan 0.000 0.458 68 T N -1.500 112.992 114.554 -0.103 0.000 2.951 68 T HA -0.061 4.288 4.350 -0.001 0.000 0.268 68 T C 1.680 176.374 174.700 -0.010 0.000 1.073 68 T CA 0.691 62.569 62.100 -0.371 0.000 1.134 68 T CB -0.272 67.980 68.868 -1.027 0.000 0.884 68 T HN 0.020 nan 8.240 nan 0.000 0.479 69 F N 2.147 122.114 119.950 0.028 0.000 2.163 69 F HA 0.087 4.613 4.527 -0.001 0.000 0.297 69 F C 2.976 178.819 175.800 0.073 0.000 1.094 69 F CA 1.262 59.240 58.000 -0.036 0.000 1.290 69 F CB -0.944 37.884 39.000 -0.286 0.000 1.017 69 F HN 0.128 nan 8.300 nan 0.000 0.483 70 T N -0.555 114.170 114.554 0.285 0.000 2.746 70 T HA -0.144 4.205 4.350 -0.001 0.000 0.267 70 T C 2.362 177.238 174.700 0.293 0.000 1.039 70 T CA 1.405 63.678 62.100 0.288 0.000 1.142 70 T CB -1.046 67.979 68.868 0.261 0.000 0.866 70 T HN 0.434 nan 8.240 nan 0.000 0.444 71 G N 1.089 110.035 108.800 0.242 0.000 2.421 71 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.216 71 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.216 71 G C 1.693 176.750 174.900 0.262 0.000 1.171 71 G CA 0.900 46.141 45.100 0.233 0.000 0.775 71 G HN 0.444 nan 8.290 nan 0.000 0.543 72 V N 0.573 120.653 119.914 0.276 0.000 2.427 72 V HA -0.081 4.038 4.120 -0.001 0.000 0.248 72 V C 2.655 178.872 176.094 0.206 0.000 1.051 72 V CA 1.431 63.899 62.300 0.279 0.000 1.048 72 V CB -0.327 31.744 31.823 0.414 0.000 0.666 72 V HN 0.322 nan 8.190 nan 0.000 0.456 73 L N 1.345 122.671 121.223 0.173 0.000 2.093 73 L HA 0.017 4.356 4.340 -0.001 0.000 0.208 73 L C 2.315 179.213 176.870 0.046 0.000 1.085 73 L CA 2.328 57.207 54.840 0.065 0.000 0.755 73 L CB -1.185 40.861 42.059 -0.022 0.000 0.904 73 L HN 0.263 nan 8.230 nan 0.000 0.435 74 G N -1.197 107.674 108.800 0.120 0.000 2.402 74 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.216 74 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.216 74 G C 1.526 176.530 174.900 0.174 0.000 1.162 74 G CA 0.518 45.703 45.100 0.143 0.000 0.777 74 G HN 0.569 nan 8.290 nan 0.000 0.539 75 G N 0.674 109.588 108.800 0.190 0.000 2.440 75 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 75 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 75 G C 1.447 176.410 174.900 0.105 0.000 1.154 75 G CA 1.407 46.600 45.100 0.156 0.000 0.767 75 G HN 0.510 nan 8.290 nan 0.000 0.552 76 D N 0.408 120.860 120.400 0.086 0.000 2.117 76 D HA 0.050 4.689 4.640 -0.001 0.000 0.197 76 D C 2.657 178.974 176.300 0.029 0.000 0.987 76 D CA 1.422 55.454 54.000 0.052 0.000 0.829 76 D CB -0.244 40.583 40.800 0.045 0.000 0.961 76 D HN 0.249 nan 8.370 nan 0.000 0.460 77 A N 0.018 122.847 122.820 0.015 0.000 1.930 77 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 77 A C 2.303 179.898 177.584 0.017 0.000 1.175 77 A CA 0.989 53.020 52.037 -0.011 0.000 0.627 77 A CB -0.721 18.239 19.000 -0.066 0.000 0.815 77 A HN 0.373 nan 8.150 nan 0.000 0.443 78 I N -0.083 120.515 120.570 0.047 0.000 2.142 78 I HA -0.285 3.884 4.170 -0.001 0.000 0.240 78 I C 2.928 179.079 176.117 0.056 0.000 1.078 78 I CA 1.196 62.536 61.300 0.067 0.000 1.343 78 I CB -0.401 37.658 38.000 0.099 0.000 1.046 78 I HN 0.328 nan 8.210 nan 0.000 0.405 79 A N 0.579 123.431 122.820 0.054 0.000 2.076 79 A HA -0.188 4.131 4.320 -0.001 0.000 0.220 79 A C 2.301 179.903 177.584 0.031 0.000 1.160 79 A CA 1.520 53.582 52.037 0.042 0.000 0.653 79 A CB -0.583 18.442 19.000 0.041 0.000 0.801 79 A HN 0.388 nan 8.150 nan 0.000 0.455 80 R N -2.118 118.398 120.500 0.027 0.000 2.276 80 R HA 0.221 4.561 4.340 -0.001 0.000 0.196 80 R C 1.443 177.758 176.300 0.024 0.000 0.961 80 R CA 0.606 56.718 56.100 0.019 0.000 1.024 80 R CB 0.040 30.346 30.300 0.010 0.000 0.940 80 R HN 0.665 nan 8.270 nan 0.000 0.480 81 G N 0.880 109.701 108.800 0.034 0.000 2.175 81 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.244 81 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.244 81 G C 0.646 175.579 174.900 0.054 0.000 0.982 81 G CA 0.406 45.532 45.100 0.043 0.000 0.641 81 G HN 0.407 nan 8.290 nan 0.000 0.527 82 E N -0.785 119.441 120.200 0.045 0.000 2.153 82 E HA 0.195 4.544 4.350 -0.001 0.000 0.194 82 E C 0.789 177.443 176.600 0.091 0.000 0.988 82 E CA 0.936 57.369 56.400 0.055 0.000 0.811 82 E CB 0.241 29.952 29.700 0.018 0.000 0.746 82 E HN 0.578 nan 8.360 nan 0.000 0.466 83 I N -1.106 119.503 120.570 0.066 0.000 2.994 83 I HA 0.166 4.335 4.170 -0.001 0.000 0.306 83 I C -1.123 175.058 176.117 0.108 0.000 1.195 83 I CA -0.462 60.884 61.300 0.078 0.000 1.001 83 I CB 2.699 40.641 38.000 -0.097 0.000 1.244 83 I HN -0.310 nan 8.210 nan 0.000 0.437 84 S N 3.695 119.485 115.700 0.150 0.000 2.541 84 S HA 0.413 4.882 4.470 -0.001 0.000 0.280 84 S C 0.228 174.917 174.600 0.150 0.000 1.112 84 S CA -0.461 57.822 58.200 0.139 0.000 0.925 84 S CB 1.879 65.160 63.200 0.134 0.000 1.067 84 S HN 0.435 nan 8.310 nan 0.000 0.479 85 L N 2.002 123.295 121.223 0.118 0.000 2.201 85 L HA -0.005 4.334 4.340 -0.001 0.000 0.212 85 L C 1.548 178.481 176.870 0.106 0.000 1.105 85 L CA 1.743 56.636 54.840 0.088 0.000 0.775 85 L CB -0.688 41.387 42.059 0.027 0.000 0.913 85 L HN 0.643 nan 8.230 nan 0.000 0.440 86 D N -0.892 119.576 120.400 0.113 0.000 2.317 86 D HA -0.048 4.591 4.640 -0.001 0.000 0.211 86 D C 0.310 176.691 176.300 0.136 0.000 0.966 86 D CA 0.210 54.278 54.000 0.112 0.000 0.876 86 D CB -0.047 40.807 40.800 0.090 0.000 0.927 86 D HN 0.301 nan 8.370 nan 0.000 0.519 87 D N 1.085 121.590 120.400 0.174 0.000 2.423 87 D HA 0.231 4.870 4.640 -0.001 0.000 0.238 87 D C 0.385 176.815 176.300 0.217 0.000 1.142 87 D CA 0.121 54.245 54.000 0.207 0.000 0.884 87 D CB 0.849 41.855 40.800 0.343 0.000 1.199 87 D HN -0.020 nan 8.370 nan 0.000 0.438 88 A N 1.669 124.592 122.820 0.172 0.000 2.388 88 A HA 0.213 4.532 4.320 -0.001 0.000 0.257 88 A C 1.481 179.201 177.584 0.226 0.000 1.095 88 A CA -0.651 51.492 52.037 0.176 0.000 0.791 88 A CB 0.522 19.594 19.000 0.120 0.000 1.029 88 A HN 0.422 nan 8.150 nan 0.000 0.489 89 V N 2.546 122.614 119.914 0.257 0.000 2.392 89 V HA -0.221 3.899 4.120 -0.001 0.000 0.249 89 V C 2.528 178.743 176.094 0.201 0.000 1.059 89 V CA 2.672 65.132 62.300 0.265 0.000 1.051 89 V CB -1.237 30.738 31.823 0.255 0.000 0.658 89 V HN 0.968 nan 8.190 nan 0.000 0.455 90 T N -0.483 114.145 114.554 0.124 0.000 2.946 90 T HA -0.236 4.114 4.350 -0.001 0.000 0.271 90 T C 1.969 176.669 174.700 0.000 0.000 1.104 90 T CA 1.593 63.719 62.100 0.044 0.000 1.114 90 T CB -0.330 68.562 68.868 0.041 0.000 0.867 90 T HN 0.498 nan 8.240 nan 0.000 0.513 91 R N -0.365 120.098 120.500 -0.061 0.000 2.115 91 R HA -0.058 4.281 4.340 -0.001 0.000 0.226 91 R C 1.475 177.514 176.300 -0.435 0.000 1.100 91 R CA 1.298 57.216 56.100 -0.303 0.000 0.980 91 R CB -0.102 29.903 30.300 -0.491 0.000 0.875 91 R HN 0.446 nan 8.270 nan 0.000 0.445 92 Y N -2.739 117.597 120.300 0.060 0.000 2.503 92 Y HA 0.108 4.657 4.550 -0.001 0.000 0.277 92 Y C 0.292 176.267 175.900 0.125 0.000 1.102 92 Y CA -0.133 57.996 58.100 0.048 0.000 1.261 92 Y CB 0.390 38.850 38.460 -0.000 0.000 1.096 92 Y HN 0.081 nan 8.280 nan 0.000 0.546 93 W N 3.504 124.803 121.300 -0.002 0.000 2.423 93 W HA 0.407 5.066 4.660 -0.001 0.000 0.286 93 W C -2.351 174.106 176.519 -0.103 0.000 1.001 93 W CA -3.680 53.618 57.345 -0.077 0.000 1.643 93 W CB 0.933 30.303 29.460 -0.150 0.000 1.593 93 W HN -0.164 nan 8.180 nan 0.000 0.403 94 P HA -0.185 nan 4.420 nan 0.000 0.226 94 P C 1.025 178.226 177.300 -0.165 0.000 1.153 94 P CA 1.500 64.567 63.100 -0.055 0.000 0.777 94 P CB 0.506 32.197 31.700 -0.016 0.000 0.794 95 Q N -0.721 118.901 119.800 -0.296 0.000 2.291 95 Q HA -0.011 4.328 4.340 -0.001 0.000 0.205 95 Q C 0.882 176.576 176.000 -0.511 0.000 0.970 95 Q CA 0.520 56.090 55.803 -0.389 0.000 0.876 95 Q CB -0.890 27.595 28.738 -0.423 0.000 0.935 95 Q HN 0.157 nan 8.270 nan 0.000 0.455 96 L N 1.949 122.771 121.223 -0.668 0.000 2.376 96 L HA 0.046 4.386 4.340 -0.001 0.000 0.250 96 L C 0.949 177.643 176.870 -0.294 0.000 1.335 96 L CA 0.595 55.045 54.840 -0.649 0.000 1.214 96 L CB -0.512 40.989 42.059 -0.931 0.000 1.395 96 L HN 0.249 nan 8.230 nan 0.000 0.424 97 T N -1.848 112.601 114.554 -0.175 0.000 3.085 97 T HA 0.091 4.440 4.350 -0.001 0.000 0.263 97 T C 1.042 175.769 174.700 0.045 0.000 1.127 97 T CA 0.195 62.265 62.100 -0.049 0.000 1.103 97 T CB -0.308 68.528 68.868 -0.054 0.000 0.921 97 T HN 0.498 nan 8.240 nan 0.000 0.510 98 G N 1.964 110.835 108.800 0.118 0.000 2.321 98 G HA2 0.162 4.121 3.960 -0.001 0.000 0.237 98 G HA3 0.162 4.121 3.960 -0.001 0.000 0.237 98 G C 0.887 175.907 174.900 0.201 0.000 1.282 98 G CA -0.329 44.886 45.100 0.192 0.000 0.886 98 G HN 0.357 nan 8.290 nan 0.000 0.528 99 K N 1.698 122.158 120.400 0.100 0.000 2.281 99 K HA -0.208 4.112 4.320 -0.001 0.000 0.203 99 K C 2.063 178.691 176.600 0.047 0.000 1.046 99 K CA 1.854 58.179 56.287 0.064 0.000 0.938 99 K CB -0.131 32.381 32.500 0.020 0.000 0.737 99 K HN 0.812 nan 8.250 nan 0.000 0.458 100 Q N -1.359 118.446 119.800 0.009 0.000 2.291 100 Q HA -0.107 4.232 4.340 -0.001 0.000 0.205 100 Q C 1.229 177.137 176.000 -0.154 0.000 0.970 100 Q CA 1.365 57.078 55.803 -0.150 0.000 0.876 100 Q CB -0.434 28.107 28.738 -0.327 0.000 0.935 100 Q HN 0.350 nan 8.270 nan 0.000 0.455 101 W N 1.467 122.825 121.300 0.097 0.000 3.256 101 W HA 0.089 4.749 4.660 -0.001 0.000 0.269 101 W C 2.123 178.701 176.519 0.099 0.000 1.310 101 W CA 0.153 57.579 57.345 0.135 0.000 1.673 101 W CB 0.240 29.764 29.460 0.106 0.000 1.115 101 W HN 0.265 nan 8.180 nan 0.000 0.686 102 Q N 0.839 120.768 119.800 0.216 0.000 1.978 102 Q HA -0.205 4.135 4.340 -0.001 0.000 0.211 102 Q C 2.096 178.182 176.000 0.143 0.000 1.013 102 Q CA 2.709 58.601 55.803 0.148 0.000 0.869 102 Q CB -1.165 27.625 28.738 0.087 0.000 0.953 102 Q HN 0.156 nan 8.270 nan 0.000 0.415 103 G N -0.176 108.694 108.800 0.117 0.000 3.181 103 G HA2 0.271 4.230 3.960 -0.001 0.000 0.219 103 G HA3 0.271 4.230 3.960 -0.001 0.000 0.219 103 G C -0.062 174.927 174.900 0.149 0.000 1.182 103 G CA -0.279 44.892 45.100 0.119 0.000 0.791 103 G HN 0.337 nan 8.290 nan 0.000 0.537 104 I N 0.980 121.668 120.570 0.195 0.000 2.342 104 I HA 0.401 4.570 4.170 -0.001 0.000 0.291 104 I C 0.171 176.438 176.117 0.251 0.000 1.010 104 I CA -0.806 60.633 61.300 0.232 0.000 1.308 104 I CB 1.220 39.391 38.000 0.286 0.000 1.400 104 I HN 0.004 nan 8.210 nan 0.000 0.488 105 R N 4.647 125.278 120.500 0.217 0.000 2.797 105 R HA 0.481 4.820 4.340 -0.001 0.000 0.251 105 R C 0.823 177.246 176.300 0.205 0.000 1.107 105 R CA -0.847 55.376 56.100 0.205 0.000 1.084 105 R CB 0.577 30.979 30.300 0.171 0.000 1.205 105 R HN 0.453 nan 8.270 nan 0.000 0.515 106 M N 0.576 120.300 119.600 0.207 0.000 2.159 106 M HA -0.092 4.388 4.480 -0.001 0.000 0.263 106 M C 1.866 178.209 176.300 0.072 0.000 1.063 106 M CA 1.414 56.848 55.300 0.223 0.000 1.110 106 M CB -0.829 31.932 32.600 0.268 0.000 1.374 106 M HN 0.561 nan 8.290 nan 0.000 0.411 107 L N 1.165 122.404 121.223 0.026 0.000 2.042 107 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 107 L C 1.819 178.668 176.870 -0.034 0.000 1.076 107 L CA 2.019 56.809 54.840 -0.084 0.000 0.749 107 L CB -0.931 41.127 42.059 -0.001 0.000 0.893 107 L HN 0.227 nan 8.230 nan 0.000 0.432 108 D N -0.392 120.060 120.400 0.086 0.000 2.117 108 D HA -0.204 4.436 4.640 -0.001 0.000 0.197 108 D C 2.346 178.650 176.300 0.006 0.000 0.987 108 D CA 1.689 55.745 54.000 0.094 0.000 0.829 108 D CB -0.147 40.738 40.800 0.142 0.000 0.961 108 D HN 0.403 nan 8.370 nan 0.000 0.460 109 L N 0.832 122.068 121.223 0.022 0.000 2.017 109 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 109 L C 2.638 179.407 176.870 -0.167 0.000 1.073 109 L CA 1.180 56.035 54.840 0.024 0.000 0.745 109 L CB -0.432 41.723 42.059 0.159 0.000 0.894 109 L HN -0.020 nan 8.230 nan 0.000 0.432 110 A N -0.343 122.204 122.820 -0.455 0.000 1.933 110 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 110 A C 2.103 179.255 177.584 -0.720 0.000 1.175 110 A CA 2.131 53.668 52.037 -0.834 0.000 0.628 110 A CB -0.706 17.432 19.000 -1.438 0.000 0.814 110 A HN 0.525 nan 8.150 nan 0.000 0.444 111 T N -6.313 107.928 114.554 -0.523 0.000 3.134 111 T HA 0.319 4.669 4.350 -0.001 0.000 0.260 111 T C 0.170 174.628 174.700 -0.404 0.000 1.027 111 T CA 0.209 62.026 62.100 -0.471 0.000 0.913 111 T CB -0.534 68.373 68.868 0.065 0.000 1.046 111 T HN 0.683 nan 8.240 nan 0.000 0.553 112 Y N 0.846 121.113 120.300 -0.054 0.000 3.929 112 Y HA -0.254 4.296 4.550 -0.001 0.000 0.225 112 Y C 1.330 177.171 175.900 -0.099 0.000 1.200 112 Y CA 0.467 58.533 58.100 -0.057 0.000 1.791 112 Y CB -3.146 35.298 38.460 -0.025 0.000 1.561 112 Y HN 0.612 nan 8.280 nan 0.000 0.657 113 T N -4.471 110.054 114.554 -0.049 0.000 3.092 113 T HA 0.623 4.972 4.350 -0.001 0.000 0.258 113 T C 1.698 176.398 174.700 -0.001 0.000 1.031 113 T CA 0.265 62.278 62.100 -0.145 0.000 0.925 113 T CB 0.405 68.966 68.868 -0.511 0.000 1.036 113 T HN 0.506 nan 8.240 nan 0.000 0.544 114 A N 1.712 124.575 122.820 0.073 0.000 2.024 114 A HA 0.431 4.750 4.320 -0.001 0.000 0.220 114 A C 1.973 179.706 177.584 0.248 0.000 1.164 114 A CA 1.077 53.188 52.037 0.123 0.000 0.643 114 A CB -1.044 17.975 19.000 0.031 0.000 0.806 114 A HN 1.550 nan 8.150 nan 0.000 0.451 115 G N -3.681 105.306 108.800 0.312 0.000 2.188 115 G HA2 0.424 4.383 3.960 -0.001 0.000 0.112 115 G HA3 0.424 4.383 3.960 -0.001 0.000 0.112 115 G C 1.000 176.279 174.900 0.630 0.000 1.048 115 G CA 0.389 45.764 45.100 0.457 0.000 0.720 115 G HN 2.034 nan 8.290 nan 0.000 0.487 116 G N -0.832 108.331 108.800 0.605 0.000 2.145 116 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.176 116 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.176 116 G C 0.413 175.589 174.900 0.459 0.000 1.013 116 G CA -0.021 45.423 45.100 0.573 0.000 0.689 116 G HN 1.212 nan 8.290 nan 0.000 0.506 117 L N 1.784 123.115 121.223 0.180 0.000 2.485 117 L HA 0.267 4.606 4.340 -0.001 0.000 0.275 117 L C -0.791 176.137 176.870 0.096 0.000 1.207 117 L CA -1.370 53.375 54.840 -0.158 0.000 0.855 117 L CB 0.349 42.220 42.059 -0.313 0.000 1.114 117 L HN 0.094 nan 8.230 nan 0.000 0.485 118 P HA -0.056 nan 4.420 nan 0.000 0.269 118 P C 0.533 177.897 177.300 0.108 0.000 1.215 118 P CA -0.428 62.770 63.100 0.163 0.000 0.780 118 P CB 0.933 32.758 31.700 0.208 0.000 0.898 119 L N 0.646 121.919 121.223 0.084 0.000 2.013 119 L HA -0.151 4.188 4.340 -0.001 0.000 0.212 119 L C 0.895 177.783 176.870 0.030 0.000 1.073 119 L CA 2.041 56.908 54.840 0.046 0.000 0.753 119 L CB -0.503 41.597 42.059 0.068 0.000 0.890 119 L HN 0.347 nan 8.230 nan 0.000 0.432 120 Q N -0.704 119.113 119.800 0.028 0.000 2.399 120 Q HA 0.418 4.757 4.340 -0.001 0.000 0.276 120 Q C -0.949 175.016 176.000 -0.058 0.000 1.098 120 Q CA -0.855 54.947 55.803 -0.002 0.000 0.827 120 Q CB 2.052 30.773 28.738 -0.027 0.000 1.386 120 Q HN -0.080 nan 8.270 nan 0.000 0.443 121 V N 3.098 122.952 119.914 -0.101 0.000 2.488 121 V HA 0.180 4.300 4.120 -0.001 0.000 0.277 121 V C -2.012 173.885 176.094 -0.328 0.000 1.046 121 V CA -1.332 60.774 62.300 -0.323 0.000 0.986 121 V CB 0.655 32.346 31.823 -0.220 0.000 0.989 121 V HN 0.589 nan 8.190 nan 0.000 0.475 122 P HA 0.013 nan 4.420 nan 0.000 0.264 122 P C 0.467 177.641 177.300 -0.209 0.000 1.183 122 P CA 0.098 63.017 63.100 -0.302 0.000 0.763 122 P CB 0.464 31.956 31.700 -0.347 0.000 0.807 123 D N 1.862 122.192 120.400 -0.117 0.000 2.309 123 D HA -0.141 4.498 4.640 -0.001 0.000 0.212 123 D C 1.318 177.580 176.300 -0.063 0.000 0.968 123 D CA 1.023 54.980 54.000 -0.072 0.000 0.882 123 D CB 0.087 40.861 40.800 -0.042 0.000 0.918 123 D HN 0.602 nan 8.370 nan 0.000 0.503 124 E N -0.325 119.831 120.200 -0.073 0.000 2.274 124 E HA -0.020 4.330 4.350 -0.001 0.000 0.194 124 E C 0.565 177.136 176.600 -0.048 0.000 0.996 124 E CA 0.219 56.591 56.400 -0.047 0.000 0.840 124 E CB 0.208 29.889 29.700 -0.033 0.000 0.772 124 E HN -0.027 nan 8.360 nan 0.000 0.491 125 V N 2.623 122.481 119.914 -0.093 0.000 2.405 125 V HA 0.061 4.180 4.120 -0.001 0.000 0.264 125 V C 0.892 176.959 176.094 -0.046 0.000 1.048 125 V CA 0.723 62.976 62.300 -0.078 0.000 0.966 125 V CB 0.894 32.610 31.823 -0.178 0.000 1.015 125 V HN 0.398 nan 8.190 nan 0.000 0.477 126 T N -0.878 113.670 114.554 -0.011 0.000 3.041 126 T HA 0.245 4.594 4.350 -0.001 0.000 0.276 126 T C 0.005 174.711 174.700 0.011 0.000 0.948 126 T CA 0.101 62.199 62.100 -0.003 0.000 0.885 126 T CB 0.280 69.147 68.868 -0.001 0.000 1.175 126 T HN 0.680 nan 8.240 nan 0.000 0.529 127 D N 0.089 120.506 120.400 0.029 0.000 2.626 127 D HA 0.349 4.988 4.640 -0.001 0.000 0.278 127 D C 0.260 176.607 176.300 0.078 0.000 1.211 127 D CA -0.809 53.216 54.000 0.042 0.000 0.903 127 D CB 0.337 41.159 40.800 0.038 0.000 1.408 127 D HN -0.215 nan 8.370 nan 0.000 0.454 128 N N 0.039 118.790 118.700 0.085 0.000 2.060 128 N HA -0.157 4.583 4.740 -0.001 0.000 0.195 128 N C 1.744 177.363 175.510 0.182 0.000 1.028 128 N CA 2.598 55.731 53.050 0.139 0.000 0.861 128 N CB -0.726 37.829 38.487 0.113 0.000 1.029 128 N HN 0.600 nan 8.380 nan 0.000 0.428 129 A N 0.547 123.443 122.820 0.126 0.000 1.858 129 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 129 A C 2.378 180.037 177.584 0.124 0.000 1.190 129 A CA 2.397 54.502 52.037 0.113 0.000 0.617 129 A CB -1.028 18.017 19.000 0.076 0.000 0.827 129 A HN 0.482 nan 8.150 nan 0.000 0.443 130 S N -0.621 115.146 115.700 0.111 0.000 2.428 130 S HA -0.069 4.400 4.470 -0.001 0.000 0.230 130 S C 1.819 176.522 174.600 0.170 0.000 1.014 130 S CA 1.231 59.498 58.200 0.112 0.000 0.957 130 S CB -0.522 62.718 63.200 0.067 0.000 0.784 130 S HN 0.392 nan 8.310 nan 0.000 0.499 131 L N 1.413 122.760 121.223 0.207 0.000 2.027 131 L HA 0.132 4.471 4.340 -0.001 0.000 0.206 131 L C 2.358 179.520 176.870 0.487 0.000 1.074 131 L CA 1.498 56.533 54.840 0.326 0.000 0.745 131 L CB -0.649 41.603 42.059 0.322 0.000 0.898 131 L HN 0.371 nan 8.230 nan 0.000 0.433 132 L N -0.445 121.035 121.223 0.429 0.000 2.012 132 L HA -0.264 4.075 4.340 -0.001 0.000 0.210 132 L C 2.788 179.742 176.870 0.139 0.000 1.073 132 L CA 1.810 56.797 54.840 0.245 0.000 0.748 132 L CB -0.524 41.614 42.059 0.131 0.000 0.891 132 L HN 0.429 nan 8.230 nan 0.000 0.431 133 R N -0.663 119.932 120.500 0.158 0.000 2.083 133 R HA -0.267 4.072 4.340 -0.001 0.000 0.237 133 R C 2.379 178.785 176.300 0.176 0.000 1.137 133 R CA 2.242 58.422 56.100 0.133 0.000 0.951 133 R CB -0.671 29.704 30.300 0.125 0.000 0.851 133 R HN 0.385 nan 8.270 nan 0.000 0.434 134 F N 0.565 120.549 119.950 0.057 0.000 2.065 134 F HA -0.274 4.252 4.527 -0.001 0.000 0.298 134 F C 1.674 177.526 175.800 0.087 0.000 1.112 134 F CA 1.567 59.568 58.000 0.002 0.000 1.212 134 F CB -0.775 38.142 39.000 -0.138 0.000 0.975 134 F HN 0.022 nan 8.300 nan 0.000 0.476 135 Y N 0.655 120.879 120.300 -0.126 0.000 2.242 135 Y HA -0.161 4.389 4.550 -0.001 0.000 0.291 135 Y C 2.673 178.725 175.900 0.254 0.000 1.137 135 Y CA 1.578 59.642 58.100 -0.060 0.000 1.181 135 Y CB -0.979 37.472 38.460 -0.015 0.000 0.989 135 Y HN 0.161 nan 8.280 nan 0.000 0.527 136 Q N -0.021 119.924 119.800 0.242 0.000 2.170 136 Q HA -0.158 4.182 4.340 -0.001 0.000 0.203 136 Q C 1.104 177.234 176.000 0.217 0.000 0.976 136 Q CA 1.422 57.348 55.803 0.206 0.000 0.858 136 Q CB -0.460 28.310 28.738 0.054 0.000 0.907 136 Q HN 0.661 nan 8.270 nan 0.000 0.433 137 N N -0.905 117.894 118.700 0.165 0.000 2.280 137 N HA -0.009 4.731 4.740 -0.001 0.000 0.192 137 N C -0.242 175.331 175.510 0.104 0.000 1.109 137 N CA -0.460 52.656 53.050 0.110 0.000 0.855 137 N CB 0.256 38.798 38.487 0.092 0.000 0.974 137 N HN 0.154 nan 8.380 nan 0.000 0.482 138 W N 2.794 124.055 121.300 -0.065 0.000 2.251 138 W HA 0.076 4.735 4.660 -0.001 0.000 0.327 138 W C -0.385 176.063 176.519 -0.118 0.000 1.361 138 W CA -0.060 57.207 57.345 -0.130 0.000 1.234 138 W CB 0.508 29.845 29.460 -0.204 0.000 1.212 138 W HN -0.087 nan 8.180 nan 0.000 0.557 139 Q N 7.880 127.231 119.800 -0.747 0.000 2.368 139 Q HA 0.266 4.605 4.340 -0.001 0.000 0.263 139 Q C -2.090 173.179 176.000 -1.219 0.000 1.009 139 Q CA -1.867 53.433 55.803 -0.840 0.000 0.818 139 Q CB 1.599 30.088 28.738 -0.416 0.000 1.239 139 Q HN 0.281 nan 8.270 nan 0.000 0.464 140 P HA 0.004 nan 4.420 nan 0.000 0.271 140 P C -0.051 176.911 177.300 -0.564 0.000 1.216 140 P CA 0.082 62.562 63.100 -1.034 0.000 0.776 140 P CB 0.855 31.984 31.700 -0.951 0.000 0.881 141 Q N 2.671 122.175 119.800 -0.493 0.000 2.302 141 Q HA 0.061 4.400 4.340 -0.001 0.000 0.202 141 Q C -0.302 175.185 176.000 -0.854 0.000 0.936 141 Q CA 1.044 56.368 55.803 -0.798 0.000 0.886 141 Q CB 0.309 28.324 28.738 -1.204 0.000 0.986 141 Q HN 0.452 nan 8.270 nan 0.000 0.487 142 W N 1.297 122.567 121.300 -0.049 0.000 2.992 142 W HA 0.402 5.061 4.660 -0.001 0.000 0.342 142 W C -0.606 175.885 176.519 -0.048 0.000 1.176 142 W CA -1.092 56.229 57.345 -0.039 0.000 1.118 142 W CB 0.720 30.171 29.460 -0.016 0.000 1.457 142 W HN -0.130 nan 8.180 nan 0.000 0.573 143 K N 1.163 121.693 120.400 0.216 0.000 2.154 143 K HA 0.425 4.744 4.320 -0.001 0.000 0.264 143 K C -2.455 174.220 176.600 0.124 0.000 1.008 143 K CA -1.486 54.867 56.287 0.110 0.000 0.937 143 K CB -0.053 32.495 32.500 0.081 0.000 1.002 143 K HN -0.156 nan 8.250 nan 0.000 0.469 144 P HA -0.024 nan 4.420 nan 0.000 0.266 144 P C 0.411 177.764 177.300 0.088 0.000 1.195 144 P CA 0.670 63.833 63.100 0.104 0.000 0.768 144 P CB 0.396 32.165 31.700 0.115 0.000 0.838 145 G N 1.756 110.578 108.800 0.037 0.000 2.225 145 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.267 145 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.267 145 G C 0.657 175.503 174.900 -0.090 0.000 1.024 145 G CA 0.807 45.900 45.100 -0.011 0.000 0.784 145 G HN 0.714 nan 8.290 nan 0.000 0.507 146 T N -4.933 109.543 114.554 -0.129 0.000 2.989 146 T HA 0.454 4.803 4.350 -0.001 0.000 0.250 146 T C 0.706 175.253 174.700 -0.256 0.000 0.981 146 T CA 1.302 63.330 62.100 -0.121 0.000 0.980 146 T CB 1.058 69.911 68.868 -0.024 0.000 1.133 146 T HN 0.612 nan 8.240 nan 0.000 0.489 147 T N 1.773 116.133 114.554 -0.324 0.000 2.916 147 T HA 0.560 4.909 4.350 -0.001 0.000 0.298 147 T C -1.304 173.175 174.700 -0.369 0.000 1.031 147 T CA -0.780 61.039 62.100 -0.468 0.000 0.993 147 T CB 2.794 71.088 68.868 -0.956 0.000 1.045 147 T HN 0.286 nan 8.240 nan 0.000 0.454 148 R N 2.521 122.825 120.500 -0.326 0.000 2.265 148 R HA 0.634 4.974 4.340 -0.001 0.000 0.319 148 R C -1.514 174.723 176.300 -0.105 0.000 1.006 148 R CA -0.748 55.251 56.100 -0.168 0.000 0.880 148 R CB 0.433 30.666 30.300 -0.112 0.000 1.077 148 R HN 0.442 nan 8.270 nan 0.000 0.454 149 L N 6.213 127.444 121.223 0.012 0.000 2.485 149 L HA 0.239 4.579 4.340 -0.001 0.000 0.260 149 L C -1.440 175.437 176.870 0.011 0.000 0.998 149 L CA -0.722 54.150 54.840 0.054 0.000 0.883 149 L CB 0.911 43.075 42.059 0.174 0.000 1.196 149 L HN 0.612 nan 8.230 nan 0.000 0.443 150 Y N 4.670 124.809 120.300 -0.269 0.000 2.805 150 Y HA 0.374 4.924 4.550 -0.001 0.000 0.331 150 Y C 0.049 175.748 175.900 -0.335 0.000 1.241 150 Y CA 0.965 58.667 58.100 -0.663 0.000 1.546 150 Y CB 0.320 38.461 38.460 -0.532 0.000 1.248 150 Y HN 0.801 nan 8.280 nan 0.000 0.559 151 A N 5.489 127.863 122.820 -0.744 0.000 2.577 151 A HA 0.315 4.634 4.320 -0.001 0.000 0.297 151 A C -0.151 177.298 177.584 -0.226 0.000 1.060 151 A CA -0.903 50.949 52.037 -0.309 0.000 0.697 151 A CB 0.916 19.898 19.000 -0.030 0.000 1.281 151 A HN 0.737 nan 8.150 nan 0.000 0.402 152 N N 1.187 119.815 118.700 -0.120 0.000 2.216 152 N HA -0.095 4.644 4.740 -0.001 0.000 0.183 152 N C 1.866 177.432 175.510 0.093 0.000 1.017 152 N CA 1.675 54.731 53.050 0.010 0.000 0.861 152 N CB -0.263 38.285 38.487 0.101 0.000 0.986 152 N HN 0.843 nan 8.380 nan 0.000 0.428 153 A N -0.047 122.847 122.820 0.124 0.000 2.125 153 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 153 A C 2.426 180.178 177.584 0.279 0.000 1.156 153 A CA 1.617 53.800 52.037 0.244 0.000 0.671 153 A CB -0.420 18.749 19.000 0.282 0.000 0.794 153 A HN 0.301 nan 8.150 nan 0.000 0.459 154 S N -0.820 114.989 115.700 0.181 0.000 2.324 154 S HA 0.056 4.525 4.470 -0.001 0.000 0.210 154 S C 1.850 176.537 174.600 0.144 0.000 1.027 154 S CA 0.817 59.113 58.200 0.160 0.000 0.945 154 S CB -0.379 62.928 63.200 0.178 0.000 0.908 154 S HN 0.482 nan 8.310 nan 0.000 0.496 155 I N 1.367 122.022 120.570 0.142 0.000 2.614 155 I HA -0.015 4.154 4.170 -0.001 0.000 0.258 155 I C 2.113 178.313 176.117 0.138 0.000 1.189 155 I CA 1.042 62.419 61.300 0.128 0.000 1.462 155 I CB -0.557 37.504 38.000 0.102 0.000 1.092 155 I HN 0.497 nan 8.210 nan 0.000 0.442 156 G N 0.920 109.775 108.800 0.092 0.000 2.446 156 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.217 156 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.217 156 G C 1.533 176.414 174.900 -0.032 0.000 1.168 156 G CA 0.943 46.050 45.100 0.011 0.000 0.771 156 G HN 0.380 nan 8.290 nan 0.000 0.551 157 L N -0.357 120.883 121.223 0.030 0.000 2.093 157 L HA 0.159 4.498 4.340 -0.001 0.000 0.208 157 L C 2.428 179.250 176.870 -0.079 0.000 1.085 157 L CA 1.388 56.179 54.840 -0.081 0.000 0.755 157 L CB -0.656 41.316 42.059 -0.146 0.000 0.904 157 L HN 0.228 nan 8.230 nan 0.000 0.435 158 F N 0.490 120.380 119.950 -0.100 0.000 2.065 158 F HA -0.159 4.367 4.527 -0.001 0.000 0.298 158 F C 2.198 177.938 175.800 -0.100 0.000 1.112 158 F CA 2.017 59.959 58.000 -0.095 0.000 1.212 158 F CB -1.130 37.824 39.000 -0.076 0.000 0.975 158 F HN 0.112 nan 8.300 nan 0.000 0.476 159 G N -0.416 108.245 108.800 -0.232 0.000 2.446 159 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 159 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 159 G C 1.821 176.587 174.900 -0.223 0.000 1.168 159 G CA 1.066 46.024 45.100 -0.236 0.000 0.771 159 G HN 0.701 nan 8.290 nan 0.000 0.551 160 A N 0.064 122.711 122.820 -0.288 0.000 1.933 160 A HA 0.083 4.402 4.320 -0.001 0.000 0.218 160 A C 2.347 179.764 177.584 -0.277 0.000 1.175 160 A CA 1.461 53.332 52.037 -0.277 0.000 0.628 160 A CB -0.326 18.476 19.000 -0.331 0.000 0.814 160 A HN 0.309 nan 8.150 nan 0.000 0.444 161 L N -0.705 120.317 121.223 -0.335 0.000 2.095 161 L HA 0.064 4.403 4.340 -0.001 0.000 0.204 161 L C 2.937 179.549 176.870 -0.430 0.000 1.080 161 L CA 1.643 56.281 54.840 -0.336 0.000 0.759 161 L CB -1.127 40.765 42.059 -0.278 0.000 0.914 161 L HN 0.371 nan 8.230 nan 0.000 0.439 162 A N -0.496 121.988 122.820 -0.561 0.000 2.032 162 A HA -0.177 4.143 4.320 -0.001 0.000 0.221 162 A C 2.117 179.489 177.584 -0.353 0.000 1.165 162 A CA 2.024 53.705 52.037 -0.594 0.000 0.645 162 A CB -0.926 17.559 19.000 -0.858 0.000 0.807 162 A HN 0.367 nan 8.150 nan 0.000 0.453 163 V N -2.402 117.368 119.914 -0.240 0.000 3.608 163 V HA 0.028 4.147 4.120 -0.001 0.000 0.269 163 V C 1.928 177.956 176.094 -0.110 0.000 1.245 163 V CA 1.270 63.480 62.300 -0.151 0.000 1.138 163 V CB -0.438 31.326 31.823 -0.099 0.000 0.841 163 V HN 0.545 nan 8.190 nan 0.000 0.451 164 K N 2.323 122.655 120.400 -0.113 0.000 2.001 164 K HA -0.146 4.173 4.320 -0.001 0.000 0.214 164 K C -0.151 176.444 176.600 -0.007 0.000 1.050 164 K CA 2.586 58.846 56.287 -0.046 0.000 0.934 164 K CB -1.849 30.649 32.500 -0.003 0.000 0.718 164 K HN 0.450 nan 8.250 nan 0.000 0.443 165 P HA -0.120 nan 4.420 nan 0.000 0.220 165 P C 1.481 178.783 177.300 0.003 0.000 1.144 165 P CA 1.762 64.885 63.100 0.039 0.000 0.800 165 P CB -0.138 31.607 31.700 0.074 0.000 0.772 166 S N -1.712 113.972 115.700 -0.026 0.000 2.406 166 S HA 0.083 4.553 4.470 -0.001 0.000 0.228 166 S C 1.916 176.497 174.600 -0.030 0.000 1.020 166 S CA 1.197 59.376 58.200 -0.035 0.000 0.965 166 S CB -1.234 61.929 63.200 -0.060 0.000 0.798 166 S HN 0.282 nan 8.310 nan 0.000 0.488 167 G N 0.728 109.510 108.800 -0.029 0.000 2.217 167 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.246 167 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.246 167 G C 0.033 174.913 174.900 -0.033 0.000 0.990 167 G CA 0.345 45.430 45.100 -0.025 0.000 0.627 167 G HN 0.542 nan 8.290 nan 0.000 0.522 168 M N 2.163 121.736 119.600 -0.045 0.000 2.318 168 M HA 0.439 4.918 4.480 -0.001 0.000 0.347 168 M C -2.038 174.230 176.300 -0.053 0.000 1.175 168 M CA -1.952 53.317 55.300 -0.051 0.000 1.075 168 M CB 1.283 33.843 32.600 -0.066 0.000 1.614 168 M HN -0.055 nan 8.290 nan 0.000 0.456 169 P HA -0.047 nan 4.420 nan 0.000 0.269 169 P C 0.002 177.292 177.300 -0.018 0.000 1.215 169 P CA -0.048 63.039 63.100 -0.021 0.000 0.780 169 P CB 0.485 32.175 31.700 -0.016 0.000 0.898 170 Y N 1.724 121.959 120.300 -0.108 0.000 2.002 170 Y HA -0.328 4.221 4.550 -0.001 0.000 0.268 170 Y C 2.533 178.369 175.900 -0.106 0.000 1.177 170 Y CA 2.606 60.635 58.100 -0.118 0.000 1.111 170 Y CB -0.486 37.894 38.460 -0.133 0.000 0.952 170 Y HN 0.505 nan 8.280 nan 0.000 0.491 171 E N -0.481 119.732 120.200 0.021 0.000 2.171 171 E HA -0.331 4.018 4.350 -0.001 0.000 0.197 171 E C 2.285 178.808 176.600 -0.128 0.000 0.997 171 E CA 1.489 57.855 56.400 -0.058 0.000 0.810 171 E CB -0.208 29.494 29.700 0.003 0.000 0.738 171 E HN 0.697 nan 8.360 nan 0.000 0.467 172 Q N -0.430 119.306 119.800 -0.107 0.000 2.049 172 Q HA -0.109 4.230 4.340 -0.001 0.000 0.198 172 Q C 2.083 177.998 176.000 -0.142 0.000 0.971 172 Q CA 1.120 56.862 55.803 -0.101 0.000 0.833 172 Q CB -0.095 28.602 28.738 -0.068 0.000 0.896 172 Q HN 0.307 nan 8.270 nan 0.000 0.434 173 A N 0.752 123.461 122.820 -0.186 0.000 1.902 173 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 173 A C 2.014 179.448 177.584 -0.250 0.000 1.181 173 A CA 1.722 53.634 52.037 -0.208 0.000 0.623 173 A CB -0.603 18.256 19.000 -0.236 0.000 0.818 173 A HN 0.552 nan 8.150 nan 0.000 0.443 174 M N -0.013 119.368 119.600 -0.365 0.000 2.117 174 M HA -0.101 4.378 4.480 -0.001 0.000 0.262 174 M C 1.962 178.128 176.300 -0.224 0.000 1.065 174 M CA 2.574 57.667 55.300 -0.345 0.000 1.114 174 M CB -0.792 31.526 32.600 -0.470 0.000 1.361 174 M HN 0.340 nan 8.290 nan 0.000 0.408 175 T N -0.176 114.256 114.554 -0.204 0.000 2.737 175 T HA -0.104 4.245 4.350 -0.001 0.000 0.265 175 T C 1.716 176.339 174.700 -0.129 0.000 1.038 175 T CA 2.054 64.052 62.100 -0.171 0.000 1.144 175 T CB -0.794 67.989 68.868 -0.142 0.000 0.866 175 T HN 0.474 nan 8.240 nan 0.000 0.434 176 T N 2.284 116.770 114.554 -0.112 0.000 2.708 176 T HA -0.060 4.289 4.350 -0.001 0.000 0.266 176 T C 2.071 176.730 174.700 -0.068 0.000 1.037 176 T CA 0.906 62.957 62.100 -0.083 0.000 1.146 176 T CB -0.095 68.728 68.868 -0.075 0.000 0.865 176 T HN 0.344 nan 8.240 nan 0.000 0.435 177 R N 0.166 120.621 120.500 -0.074 0.000 2.223 177 R HA 0.244 4.583 4.340 -0.001 0.000 0.198 177 R C 1.878 178.171 176.300 -0.012 0.000 0.984 177 R CA 0.506 56.579 56.100 -0.045 0.000 1.018 177 R CB -0.045 30.222 30.300 -0.054 0.000 0.945 177 R HN 0.327 nan 8.270 nan 0.000 0.479 178 V N 0.591 120.493 119.914 -0.020 0.000 2.950 178 V HA 0.020 4.139 4.120 -0.001 0.000 0.231 178 V C 2.221 178.339 176.094 0.039 0.000 1.205 178 V CA 0.325 62.657 62.300 0.053 0.000 1.239 178 V CB -0.253 31.623 31.823 0.088 0.000 1.050 178 V HN 0.014 nan 8.190 nan 0.000 0.498 179 L N -0.164 121.027 121.223 -0.054 0.000 1.994 179 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 179 L C 2.688 179.502 176.870 -0.093 0.000 1.071 179 L CA 1.575 56.350 54.840 -0.108 0.000 0.745 179 L CB -0.785 41.129 42.059 -0.240 0.000 0.892 179 L HN 0.249 nan 8.230 nan 0.000 0.431 180 K N 0.167 120.509 120.400 -0.097 0.000 2.001 180 K HA -0.173 4.147 4.320 -0.001 0.000 0.214 180 K C 0.228 176.800 176.600 -0.047 0.000 1.050 180 K CA 1.839 58.077 56.287 -0.081 0.000 0.934 180 K CB -1.474 30.982 32.500 -0.073 0.000 0.718 180 K HN 0.259 nan 8.250 nan 0.000 0.443 181 P HA -0.104 nan 4.420 nan 0.000 0.216 181 P C 1.296 178.602 177.300 0.010 0.000 1.150 181 P CA 1.136 64.233 63.100 -0.005 0.000 0.837 181 P CB 0.027 31.731 31.700 0.007 0.000 0.786 182 L N -1.481 119.762 121.223 0.033 0.000 2.558 182 L HA 0.099 4.439 4.340 -0.001 0.000 0.225 182 L C 0.344 177.232 176.870 0.031 0.000 1.128 182 L CA 0.272 55.148 54.840 0.061 0.000 0.868 182 L CB -0.656 41.499 42.059 0.160 0.000 1.006 182 L HN -0.008 nan 8.230 nan 0.000 0.454 183 K N 0.889 121.282 120.400 -0.011 0.000 3.239 183 K HA -0.162 4.157 4.320 -0.001 0.000 0.270 183 K C -0.393 176.173 176.600 -0.057 0.000 1.049 183 K CA 0.292 56.553 56.287 -0.043 0.000 0.769 183 K CB -1.816 30.669 32.500 -0.025 0.000 1.305 183 K HN 0.288 nan 8.250 nan 0.000 0.469 184 L N 1.134 122.303 121.223 -0.090 0.000 2.556 184 L HA 0.150 4.489 4.340 -0.001 0.000 0.245 184 L C 0.755 177.430 176.870 -0.325 0.000 1.174 184 L CA -0.571 54.186 54.840 -0.138 0.000 1.117 184 L CB 0.434 42.447 42.059 -0.078 0.000 1.409 184 L HN 0.131 nan 8.230 nan 0.000 0.411 185 D N -0.427 119.756 120.400 -0.363 0.000 2.363 185 D HA -0.051 4.588 4.640 -0.001 0.000 0.226 185 D C 0.885 176.594 176.300 -0.985 0.000 1.020 185 D CA 0.979 54.621 54.000 -0.595 0.000 0.892 185 D CB 0.339 40.834 40.800 -0.507 0.000 0.900 185 D HN 0.480 nan 8.370 nan 0.000 0.531 186 H N -0.367 118.440 119.070 -0.438 0.000 2.651 186 H HA 0.227 4.782 4.556 -0.001 0.000 0.241 186 H C -0.284 174.636 175.328 -0.680 0.000 1.225 186 H CA -0.071 55.723 56.048 -0.425 0.000 0.942 186 H CB 0.362 30.090 29.762 -0.057 0.000 1.996 186 H HN -0.162 nan 8.280 nan 0.000 0.600 187 T N 1.227 115.183 114.554 -0.998 0.000 2.791 187 T HA 0.301 4.650 4.350 -0.001 0.000 0.288 187 T C -0.450 173.636 174.700 -1.023 0.000 0.999 187 T CA -0.492 61.137 62.100 -0.785 0.000 0.952 187 T CB 0.960 69.479 68.868 -0.582 0.000 0.938 187 T HN 0.229 nan 8.240 nan 0.000 0.444 188 W N 2.069 123.214 121.300 -0.258 0.000 2.864 188 W HA 0.606 5.265 4.660 -0.002 0.000 0.343 188 W C 0.711 177.070 176.519 -0.266 0.000 1.109 188 W CA -0.964 56.236 57.345 -0.242 0.000 1.192 188 W CB 1.131 30.463 29.460 -0.213 0.000 1.426 188 W HN 0.424 nan 8.180 nan 0.000 0.529 189 I N 1.005 121.612 120.570 0.062 0.000 3.039 189 I HA 0.076 4.245 4.170 -0.001 0.000 0.270 189 I C -0.284 175.824 176.117 -0.015 0.000 1.150 189 I CA 0.477 61.758 61.300 -0.032 0.000 1.448 189 I CB 0.012 37.992 38.000 -0.033 0.000 1.197 189 I HN 0.414 nan 8.210 nan 0.000 0.450 190 N N 0.794 119.513 118.700 0.031 0.000 2.531 190 N HA 0.226 4.966 4.740 -0.001 0.000 0.268 190 N C -0.683 174.751 175.510 -0.127 0.000 1.023 190 N CA -0.115 52.913 53.050 -0.037 0.000 0.896 190 N CB 2.897 41.361 38.487 -0.037 0.000 1.233 190 N HN -0.114 nan 8.380 nan 0.000 0.512 191 V N 3.423 123.189 119.914 -0.247 0.000 2.521 191 V HA 0.378 4.497 4.120 -0.001 0.000 0.286 191 V C -2.106 173.670 176.094 -0.530 0.000 1.034 191 V CA -1.195 60.753 62.300 -0.587 0.000 1.045 191 V CB 0.349 31.861 31.823 -0.518 0.000 0.974 191 V HN 0.515 nan 8.190 nan 0.000 0.480 192 P HA 0.303 nan 4.420 nan 0.000 0.274 192 P C 0.222 177.317 177.300 -0.341 0.000 1.237 192 P CA -0.499 62.297 63.100 -0.507 0.000 0.793 192 P CB 0.634 31.971 31.700 -0.605 0.000 0.977 193 K N 2.092 122.361 120.400 -0.217 0.000 2.074 193 K HA -0.174 4.146 4.320 -0.001 0.000 0.209 193 K C 1.897 178.409 176.600 -0.146 0.000 1.048 193 K CA 2.116 58.313 56.287 -0.149 0.000 0.926 193 K CB -1.271 31.166 32.500 -0.105 0.000 0.713 193 K HN 0.479 nan 8.250 nan 0.000 0.444 194 A N 0.505 123.237 122.820 -0.147 0.000 1.972 194 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 194 A C 1.870 179.382 177.584 -0.120 0.000 1.169 194 A CA 1.705 53.676 52.037 -0.110 0.000 0.635 194 A CB -0.327 18.630 19.000 -0.072 0.000 0.810 194 A HN 0.294 nan 8.150 nan 0.000 0.446 195 E N -0.814 119.284 120.200 -0.169 0.000 2.340 195 E HA -0.038 4.311 4.350 -0.001 0.000 0.194 195 E C 1.661 178.173 176.600 -0.145 0.000 0.996 195 E CA 0.391 56.724 56.400 -0.113 0.000 0.869 195 E CB -0.085 29.476 29.700 -0.232 0.000 0.835 195 E HN 0.775 nan 8.360 nan 0.000 0.493 196 E N 0.884 120.987 120.200 -0.162 0.000 2.233 196 E HA -0.218 4.132 4.350 -0.001 0.000 0.199 196 E C 1.757 178.296 176.600 -0.101 0.000 1.004 196 E CA 1.112 57.456 56.400 -0.092 0.000 0.819 196 E CB 0.031 29.677 29.700 -0.090 0.000 0.738 196 E HN 0.208 nan 8.360 nan 0.000 0.478 197 A N -0.586 122.101 122.820 -0.221 0.000 2.067 197 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 197 A C 1.344 178.793 177.584 -0.224 0.000 1.158 197 A CA 1.482 53.365 52.037 -0.256 0.000 0.661 197 A CB -0.571 18.212 19.000 -0.362 0.000 0.801 197 A HN 0.400 nan 8.150 nan 0.000 0.452 198 H N -3.777 115.297 119.070 0.005 0.000 2.563 198 H HA 0.111 4.666 4.556 -0.001 0.000 0.264 198 H C 0.012 175.360 175.328 0.034 0.000 0.957 198 H CA -0.092 55.960 56.048 0.007 0.000 1.173 198 H CB 0.177 29.934 29.762 -0.009 0.000 1.420 198 H HN 0.432 nan 8.280 nan 0.000 0.551 199 Y N 2.892 123.155 120.300 -0.062 0.000 2.531 199 Y HA 0.331 4.880 4.550 -0.001 0.000 0.347 199 Y C 0.296 176.063 175.900 -0.223 0.000 1.024 199 Y CA -1.781 56.225 58.100 -0.158 0.000 1.306 199 Y CB -0.877 37.445 38.460 -0.229 0.000 1.149 199 Y HN 0.136 nan 8.280 nan 0.000 0.527 200 A N 5.880 128.773 122.820 0.121 0.000 2.386 200 A HA 0.245 4.564 4.320 -0.001 0.000 0.246 200 A C -0.854 176.640 177.584 -0.149 0.000 1.089 200 A CA -0.340 51.687 52.037 -0.017 0.000 0.790 200 A CB 0.264 19.190 19.000 -0.123 0.000 1.042 200 A HN 0.869 nan 8.150 nan 0.000 0.497 201 W N -0.446 120.792 121.300 -0.103 0.000 2.469 201 W HA 0.523 5.182 4.660 -0.001 0.000 0.320 201 W C 0.691 176.822 176.519 -0.647 0.000 1.086 201 W CA 0.178 57.322 57.345 -0.337 0.000 1.211 201 W CB 1.666 30.864 29.460 -0.438 0.000 1.298 201 W HN 0.941 nan 8.180 nan 0.000 0.525 202 G N 1.518 110.084 108.800 -0.390 0.000 2.451 202 G HA2 0.549 4.508 3.960 -0.001 0.000 0.303 202 G HA3 0.549 4.508 3.960 -0.001 0.000 0.303 202 G C -2.127 172.358 174.900 -0.692 0.000 1.166 202 G CA -0.401 44.226 45.100 -0.788 0.000 0.884 202 G HN 0.405 nan 8.290 nan 0.000 0.514 203 Y N -0.280 119.960 120.300 -0.101 0.000 2.373 203 Y HA 0.532 5.081 4.550 -0.001 0.000 0.336 203 Y C 0.840 176.744 175.900 0.007 0.000 0.979 203 Y CA -0.866 57.224 58.100 -0.017 0.000 1.080 203 Y CB 2.546 40.995 38.460 -0.019 0.000 1.190 203 Y HN 0.667 nan 8.280 nan 0.000 0.446 204 R N 0.349 120.940 120.500 0.152 0.000 1.836 204 R HA 0.248 4.587 4.340 -0.001 0.000 0.128 204 R C -0.378 175.980 176.300 0.097 0.000 2.038 204 R CA -0.180 55.984 56.100 0.107 0.000 1.737 204 R CB 0.110 30.457 30.300 0.079 0.000 1.399 204 R HN 0.524 nan 8.270 nan 0.000 0.485 205 D N 0.027 120.471 120.400 0.074 0.000 3.134 205 D HA 0.231 4.870 4.640 -0.001 0.000 0.248 205 D C 0.115 176.445 176.300 0.050 0.000 1.273 205 D CA 0.800 54.832 54.000 0.053 0.000 0.904 205 D CB 0.468 41.291 40.800 0.038 0.000 1.089 205 D HN 0.732 nan 8.370 nan 0.000 0.478 206 G N 0.670 109.512 108.800 0.070 0.000 2.268 206 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.240 206 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.240 206 G C 0.517 175.479 174.900 0.103 0.000 1.010 206 G CA -0.080 45.053 45.100 0.055 0.000 0.618 206 G HN 0.354 nan 8.290 nan 0.000 0.516 207 K N 1.276 121.737 120.400 0.102 0.000 2.174 207 K HA 0.740 5.059 4.320 -0.001 0.000 0.275 207 K C 0.516 177.181 176.600 0.107 0.000 1.015 207 K CA 0.448 56.782 56.287 0.079 0.000 0.933 207 K CB 1.524 34.039 32.500 0.025 0.000 1.025 207 K HN 0.698 nan 8.250 nan 0.000 0.463 208 A N 1.902 124.714 122.820 -0.013 0.000 2.366 208 A HA 0.536 4.855 4.320 -0.001 0.000 0.272 208 A C -0.364 177.179 177.584 -0.067 0.000 1.135 208 A CA -0.442 51.433 52.037 -0.270 0.000 0.804 208 A CB -0.072 18.596 19.000 -0.552 0.000 1.064 208 A HN 0.580 nan 8.150 nan 0.000 0.499 209 V N 0.287 120.246 119.914 0.075 0.000 3.087 209 V HA 0.835 4.954 4.120 -0.001 0.000 0.306 209 V C -0.659 175.591 176.094 0.260 0.000 1.187 209 V CA -1.117 61.310 62.300 0.212 0.000 0.999 209 V CB 1.761 33.654 31.823 0.116 0.000 1.049 209 V HN 0.976 nan 8.190 nan 0.000 0.431 210 R N 1.006 121.627 120.500 0.202 0.000 2.807 210 R HA 0.756 5.096 4.340 -0.001 0.000 0.276 210 R C -1.005 175.366 176.300 0.118 0.000 0.979 210 R CA -0.890 55.264 56.100 0.090 0.000 0.928 210 R CB 2.499 32.650 30.300 -0.247 0.000 1.191 210 R HN 0.777 nan 8.270 nan 0.000 0.471 211 V N 2.520 122.512 119.914 0.131 0.000 2.673 211 V HA 0.071 4.190 4.120 -0.001 0.000 0.303 211 V C -0.149 176.011 176.094 0.110 0.000 1.046 211 V CA 0.368 62.745 62.300 0.129 0.000 1.126 211 V CB 1.092 33.007 31.823 0.153 0.000 0.934 211 V HN 0.924 nan 8.190 nan 0.000 0.487 212 S N 6.969 122.733 115.700 0.108 0.000 2.654 212 S HA 0.683 5.152 4.470 -0.001 0.000 0.283 212 S C -2.637 172.031 174.600 0.114 0.000 1.180 212 S CA -1.354 56.900 58.200 0.089 0.000 1.021 212 S CB 1.107 64.347 63.200 0.065 0.000 1.018 212 S HN 0.728 nan 8.310 nan 0.000 0.532 213 P HA 0.509 nan 4.420 nan 0.000 0.268 213 P C -0.020 177.321 177.300 0.068 0.000 1.205 213 P CA -0.008 63.123 63.100 0.052 0.000 0.771 213 P CB 0.418 32.130 31.700 0.021 0.000 0.858 214 G N 1.581 110.418 108.800 0.062 0.000 2.692 214 G HA2 0.507 4.466 3.960 -0.001 0.000 0.291 214 G HA3 0.507 4.466 3.960 -0.001 0.000 0.291 214 G C -1.114 173.787 174.900 0.001 0.000 1.423 214 G CA -0.731 44.413 45.100 0.074 0.000 0.843 214 G HN 0.251 nan 8.290 nan 0.000 0.486 215 M N 1.083 120.679 119.600 -0.006 0.000 2.219 215 M HA 0.196 4.676 4.480 -0.001 0.000 0.353 215 M C 0.470 176.732 176.300 -0.063 0.000 1.304 215 M CA -0.170 55.106 55.300 -0.039 0.000 1.115 215 M CB 0.525 33.108 32.600 -0.028 0.000 1.664 215 M HN 0.585 nan 8.290 nan 0.000 0.459 216 L N 2.455 123.602 121.223 -0.127 0.000 4.291 216 L HA -0.298 4.042 4.340 -0.001 0.000 0.413 216 L C 1.208 177.874 176.870 -0.341 0.000 1.162 216 L CA 1.415 56.136 54.840 -0.199 0.000 0.961 216 L CB -2.251 39.757 42.059 -0.085 0.000 2.095 216 L HN 0.804 nan 8.230 nan 0.000 0.838 217 D N -0.901 119.253 120.400 -0.411 0.000 2.097 217 D HA -0.126 4.513 4.640 -0.001 0.000 0.195 217 D C 1.979 177.843 176.300 -0.726 0.000 0.989 217 D CA 1.599 55.085 54.000 -0.856 0.000 0.827 217 D CB -0.312 40.156 40.800 -0.553 0.000 0.966 217 D HN 0.440 nan 8.370 nan 0.000 0.456 218 A N 0.396 122.949 122.820 -0.444 0.000 1.892 218 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 218 A C 2.266 179.633 177.584 -0.362 0.000 1.188 218 A CA 2.283 54.124 52.037 -0.328 0.000 0.631 218 A CB -0.868 18.006 19.000 -0.211 0.000 0.822 218 A HN 0.246 nan 8.150 nan 0.000 0.447 219 Q N -0.991 118.469 119.800 -0.566 0.000 2.230 219 Q HA 0.182 4.522 4.340 -0.001 0.000 0.202 219 Q C 2.003 177.889 176.000 -0.189 0.000 0.963 219 Q CA 1.700 57.206 55.803 -0.494 0.000 0.866 219 Q CB -0.279 28.127 28.738 -0.554 0.000 0.931 219 Q HN 0.686 nan 8.270 nan 0.000 0.452 220 A N -1.172 121.511 122.820 -0.229 0.000 2.070 220 A HA 0.145 4.464 4.320 -0.001 0.000 0.202 220 A C 0.627 178.252 177.584 0.069 0.000 1.277 220 A CA 0.504 52.514 52.037 -0.045 0.000 0.872 220 A CB 0.236 19.267 19.000 0.051 0.000 0.933 220 A HN 0.474 nan 8.150 nan 0.000 0.475 221 Y N -4.367 115.928 120.300 -0.007 0.000 3.024 221 Y HA 0.427 4.976 4.550 -0.001 0.000 0.283 221 Y C 0.897 176.784 175.900 -0.022 0.000 1.040 221 Y CA -0.416 57.688 58.100 0.007 0.000 1.283 221 Y CB -0.434 38.041 38.460 0.026 0.000 1.367 221 Y HN 0.004 nan 8.280 nan 0.000 0.589 222 G N 1.083 109.770 108.800 -0.188 0.000 3.371 222 G HA2 0.384 4.343 3.960 -0.001 0.000 0.248 222 G HA3 0.384 4.343 3.960 -0.001 0.000 0.248 222 G C -0.251 174.574 174.900 -0.125 0.000 1.161 222 G CA 0.075 45.096 45.100 -0.132 0.000 0.796 222 G HN 0.109 nan 8.290 nan 0.000 0.539 223 V N 0.300 120.129 119.914 -0.141 0.000 2.607 223 V HA 0.418 4.537 4.120 -0.001 0.000 0.289 223 V C -0.206 175.771 176.094 -0.195 0.000 1.053 223 V CA -0.387 61.775 62.300 -0.230 0.000 0.996 223 V CB 1.482 33.060 31.823 -0.409 0.000 0.995 223 V HN 0.176 nan 8.190 nan 0.000 0.476 224 K N 2.536 122.809 120.400 -0.211 0.000 2.397 224 K HA 0.790 5.110 4.320 -0.001 0.000 0.253 224 K C -0.541 175.982 176.600 -0.129 0.000 0.932 224 K CA -0.406 55.763 56.287 -0.197 0.000 0.795 224 K CB 2.249 34.553 32.500 -0.327 0.000 1.159 224 K HN 0.893 nan 8.250 nan 0.000 0.424 225 T N -0.457 114.068 114.554 -0.049 0.000 2.731 225 T HA 0.430 4.780 4.350 -0.001 0.000 0.300 225 T C -1.098 173.682 174.700 0.134 0.000 1.283 225 T CA -1.252 60.851 62.100 0.004 0.000 1.005 225 T CB 0.989 69.845 68.868 -0.020 0.000 1.420 225 T HN 0.639 nan 8.240 nan 0.000 0.503 226 N N -1.150 117.620 118.700 0.116 0.000 2.483 226 N HA 0.468 5.207 4.740 -0.001 0.000 0.285 226 N C 0.776 176.362 175.510 0.126 0.000 1.210 226 N CA -1.034 52.107 53.050 0.152 0.000 0.931 226 N CB 0.863 39.378 38.487 0.046 0.000 1.220 226 N HN 0.325 nan 8.380 nan 0.000 0.542 227 V N 0.137 120.121 119.914 0.118 0.000 2.720 227 V HA -0.198 3.921 4.120 -0.001 0.000 0.256 227 V C 1.886 178.040 176.094 0.100 0.000 1.082 227 V CA 1.829 64.199 62.300 0.118 0.000 1.101 227 V CB -0.804 31.099 31.823 0.133 0.000 0.693 227 V HN 0.658 nan 8.190 nan 0.000 0.479 228 Q N -0.800 118.960 119.800 -0.067 0.000 2.020 228 Q HA -0.188 4.151 4.340 -0.001 0.000 0.198 228 Q C 2.009 178.061 176.000 0.086 0.000 0.974 228 Q CA 1.861 57.601 55.803 -0.105 0.000 0.829 228 Q CB -0.228 28.369 28.738 -0.234 0.000 0.894 228 Q HN 0.567 nan 8.270 nan 0.000 0.433 229 D N 0.353 120.800 120.400 0.078 0.000 2.144 229 D HA -0.133 4.506 4.640 -0.001 0.000 0.199 229 D C 1.698 178.116 176.300 0.197 0.000 0.984 229 D CA 0.957 55.021 54.000 0.107 0.000 0.834 229 D CB -0.027 40.797 40.800 0.041 0.000 0.955 229 D HN 0.057 nan 8.370 nan 0.000 0.465 230 M N 0.455 120.177 119.600 0.204 0.000 2.175 230 M HA -0.014 4.465 4.480 -0.001 0.000 0.264 230 M C 1.829 178.296 176.300 0.279 0.000 1.063 230 M CA 1.048 56.516 55.300 0.280 0.000 1.119 230 M CB -0.271 32.466 32.600 0.229 0.000 1.377 230 M HN -0.002 nan 8.290 nan 0.000 0.415 231 A N -0.219 122.745 122.820 0.239 0.000 1.930 231 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 231 A C 2.048 179.699 177.584 0.111 0.000 1.175 231 A CA 1.753 53.900 52.037 0.184 0.000 0.627 231 A CB -0.860 18.308 19.000 0.281 0.000 0.815 231 A HN 0.599 nan 8.150 nan 0.000 0.443 232 N N -1.071 117.720 118.700 0.151 0.000 2.244 232 N HA -0.149 4.590 4.740 -0.001 0.000 0.183 232 N C 1.604 177.190 175.510 0.126 0.000 1.016 232 N CA 1.111 54.225 53.050 0.107 0.000 0.866 232 N CB -0.331 38.225 38.487 0.116 0.000 0.980 232 N HN 0.831 nan 8.380 nan 0.000 0.430 233 W N 1.836 123.134 121.300 -0.004 0.000 2.379 233 W HA -0.139 4.520 4.660 -0.001 0.000 0.307 233 W C 1.570 178.016 176.519 -0.122 0.000 1.200 233 W CA 0.813 58.140 57.345 -0.031 0.000 1.297 233 W CB -0.106 29.372 29.460 0.029 0.000 1.140 233 W HN -0.200 nan 8.180 nan 0.000 0.507 234 V N 2.012 121.823 119.914 -0.171 0.000 2.295 234 V HA -0.380 3.739 4.120 -0.001 0.000 0.246 234 V C 2.487 178.180 176.094 -0.668 0.000 1.049 234 V CA 2.396 64.393 62.300 -0.506 0.000 1.024 234 V CB -0.916 30.739 31.823 -0.280 0.000 0.648 234 V HN 0.196 nan 8.190 nan 0.000 0.447 235 M N -0.197 119.177 119.600 -0.377 0.000 2.108 235 M HA -0.180 4.300 4.480 -0.001 0.000 0.261 235 M C 2.361 178.451 176.300 -0.350 0.000 1.066 235 M CA 2.183 57.289 55.300 -0.323 0.000 1.107 235 M CB -0.616 31.877 32.600 -0.177 0.000 1.356 235 M HN 0.409 nan 8.290 nan 0.000 0.406 236 A N 0.324 122.948 122.820 -0.326 0.000 1.972 236 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 236 A C 1.876 179.199 177.584 -0.435 0.000 1.169 236 A CA 1.580 53.433 52.037 -0.306 0.000 0.635 236 A CB -0.728 18.142 19.000 -0.218 0.000 0.810 236 A HN 0.543 nan 8.150 nan 0.000 0.446 237 N N -0.985 117.312 118.700 -0.671 0.000 2.333 237 N HA -0.031 4.708 4.740 -0.001 0.000 0.178 237 N C 1.806 176.918 175.510 -0.663 0.000 1.018 237 N CA 1.359 53.966 53.050 -0.738 0.000 0.882 237 N CB -0.120 37.770 38.487 -0.994 0.000 0.984 237 N HN 0.724 nan 8.380 nan 0.000 0.434 238 M N 0.198 119.314 119.600 -0.807 0.000 2.388 238 M HA 0.119 4.598 4.480 -0.001 0.000 0.265 238 M C 0.095 176.233 176.300 -0.270 0.000 1.088 238 M CA 1.035 56.021 55.300 -0.523 0.000 1.134 238 M CB 0.446 32.666 32.600 -0.632 0.000 1.384 238 M HN -0.095 nan 8.290 nan 0.000 0.447 239 A N 1.279 123.935 122.820 -0.273 0.000 3.266 239 A HA 0.467 4.786 4.320 -0.001 0.000 0.310 239 A C -2.271 175.214 177.584 -0.165 0.000 1.066 239 A CA -1.021 50.907 52.037 -0.181 0.000 0.839 239 A CB 0.135 19.041 19.000 -0.158 0.000 1.192 239 A HN 0.315 nan 8.150 nan 0.000 0.496 240 P HA -0.172 nan 4.420 nan 0.000 0.225 240 P C 1.089 178.335 177.300 -0.090 0.000 1.148 240 P CA 1.114 64.138 63.100 -0.128 0.000 0.779 240 P CB 0.240 31.869 31.700 -0.118 0.000 0.780 241 E N 0.973 121.123 120.200 -0.082 0.000 2.265 241 E HA -0.189 4.160 4.350 -0.001 0.000 0.196 241 E C 0.938 177.503 176.600 -0.059 0.000 0.996 241 E CA 1.024 57.386 56.400 -0.063 0.000 0.832 241 E CB -1.486 28.178 29.700 -0.059 0.000 0.756 241 E HN 0.453 nan 8.360 nan 0.000 0.491 242 N N 0.580 119.238 118.700 -0.070 0.000 2.398 242 N HA 0.050 4.790 4.740 -0.001 0.000 0.188 242 N C -0.288 175.190 175.510 -0.053 0.000 1.122 242 N CA -0.150 52.863 53.050 -0.062 0.000 0.866 242 N CB 0.691 39.134 38.487 -0.073 0.000 0.970 242 N HN -0.084 nan 8.380 nan 0.000 0.462 243 V N 1.501 121.383 119.914 -0.053 0.000 2.432 243 V HA 0.182 4.301 4.120 -0.001 0.000 0.271 243 V C 1.118 177.196 176.094 -0.028 0.000 1.046 243 V CA -0.227 62.050 62.300 -0.039 0.000 0.945 243 V CB 1.023 32.821 31.823 -0.041 0.000 0.992 243 V HN 0.206 nan 8.190 nan 0.000 0.471 244 A N 3.846 126.654 122.820 -0.021 0.000 1.898 244 A HA -0.068 4.251 4.320 -0.001 0.000 0.216 244 A C 1.127 178.704 177.584 -0.013 0.000 1.181 244 A CA 0.866 52.893 52.037 -0.017 0.000 0.620 244 A CB -0.184 18.807 19.000 -0.015 0.000 0.819 244 A HN 0.755 nan 8.150 nan 0.000 0.442 245 D N -0.131 120.264 120.400 -0.008 0.000 2.371 245 D HA 0.440 5.079 4.640 -0.001 0.000 0.256 245 D C 1.277 177.575 176.300 -0.003 0.000 1.193 245 D CA 0.689 54.687 54.000 -0.004 0.000 0.881 245 D CB 1.477 42.278 40.800 0.001 0.000 1.143 245 D HN 0.219 nan 8.370 nan 0.000 0.473 246 A N 2.943 125.761 122.820 -0.003 0.000 1.908 246 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 246 A C 2.125 179.711 177.584 0.004 0.000 1.181 246 A CA 2.089 54.125 52.037 -0.002 0.000 0.627 246 A CB -0.332 18.667 19.000 -0.002 0.000 0.818 246 A HN 0.592 nan 8.150 nan 0.000 0.445 247 S N -0.792 114.912 115.700 0.008 0.000 2.414 247 S HA -0.040 4.429 4.470 -0.001 0.000 0.227 247 S C 1.811 176.426 174.600 0.024 0.000 1.022 247 S CA 1.144 59.353 58.200 0.016 0.000 0.958 247 S CB -0.489 62.719 63.200 0.014 0.000 0.797 247 S HN 0.355 nan 8.310 nan 0.000 0.493 248 L N 2.193 123.430 121.223 0.023 0.000 2.056 248 L HA 0.120 4.459 4.340 -0.001 0.000 0.207 248 L C 2.492 179.377 176.870 0.024 0.000 1.078 248 L CA 1.956 56.817 54.840 0.036 0.000 0.749 248 L CB -0.919 41.163 42.059 0.038 0.000 0.901 248 L HN 0.378 nan 8.230 nan 0.000 0.433 249 K N -0.970 119.434 120.400 0.006 0.000 2.020 249 K HA -0.304 4.015 4.320 -0.001 0.000 0.212 249 K C 2.253 178.851 176.600 -0.005 0.000 1.050 249 K CA 2.072 58.352 56.287 -0.012 0.000 0.929 249 K CB -0.235 32.255 32.500 -0.017 0.000 0.714 249 K HN 0.360 nan 8.250 nan 0.000 0.443 250 Q N 0.016 119.822 119.800 0.009 0.000 2.123 250 Q HA -0.019 4.320 4.340 -0.001 0.000 0.199 250 Q C 1.897 177.922 176.000 0.043 0.000 0.966 250 Q CA 2.025 57.840 55.803 0.020 0.000 0.845 250 Q CB -0.674 28.077 28.738 0.022 0.000 0.907 250 Q HN 0.454 nan 8.270 nan 0.000 0.439 251 G N 0.640 109.472 108.800 0.053 0.000 2.440 251 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.218 251 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.218 251 G C 1.431 176.392 174.900 0.102 0.000 1.154 251 G CA 1.101 46.252 45.100 0.087 0.000 0.767 251 G HN 0.433 nan 8.290 nan 0.000 0.552 252 I N 1.316 121.923 120.570 0.062 0.000 2.286 252 I HA -0.130 4.039 4.170 -0.001 0.000 0.248 252 I C 3.212 179.347 176.117 0.030 0.000 1.115 252 I CA 1.003 62.322 61.300 0.032 0.000 1.392 252 I CB -0.094 37.870 38.000 -0.061 0.000 1.065 252 I HN 0.241 nan 8.210 nan 0.000 0.418 253 A N 0.528 123.359 122.820 0.018 0.000 1.929 253 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 253 A C 2.275 179.891 177.584 0.053 0.000 1.176 253 A CA 1.147 53.188 52.037 0.008 0.000 0.628 253 A CB -0.728 18.266 19.000 -0.009 0.000 0.816 253 A HN 0.359 nan 8.150 nan 0.000 0.444 254 L N -0.772 120.510 121.223 0.098 0.000 2.083 254 L HA -0.183 4.156 4.340 -0.001 0.000 0.209 254 L C 2.986 180.018 176.870 0.270 0.000 1.083 254 L CA 1.037 55.982 54.840 0.174 0.000 0.752 254 L CB -0.405 41.755 42.059 0.169 0.000 0.899 254 L HN 0.438 nan 8.230 nan 0.000 0.433 255 A N -1.090 121.878 122.820 0.245 0.000 2.066 255 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 255 A C 2.067 179.867 177.584 0.361 0.000 1.157 255 A CA 1.043 53.281 52.037 0.334 0.000 0.670 255 A CB -0.195 19.036 19.000 0.384 0.000 0.804 255 A HN 0.470 nan 8.150 nan 0.000 0.453 256 Q N -0.064 119.855 119.800 0.198 0.000 2.319 256 Q HA 0.185 4.524 4.340 -0.001 0.000 0.202 256 Q C -0.133 175.885 176.000 0.031 0.000 0.896 256 Q CA -0.293 55.559 55.803 0.082 0.000 0.942 256 Q CB 0.405 29.102 28.738 -0.069 0.000 1.083 256 Q HN 0.516 nan 8.270 nan 0.000 0.510 257 S N 0.763 116.480 115.700 0.027 0.000 2.593 257 S HA 0.265 4.734 4.470 -0.001 0.000 0.269 257 S C 0.008 174.446 174.600 -0.270 0.000 1.334 257 S CA -0.222 57.855 58.200 -0.205 0.000 1.015 257 S CB 0.638 63.609 63.200 -0.381 0.000 0.912 257 S HN 0.213 nan 8.310 nan 0.000 0.541 258 R N 1.136 121.422 120.500 -0.357 0.000 2.215 258 R HA 0.285 4.624 4.340 -0.001 0.000 0.336 258 R C -0.420 175.679 176.300 -0.334 0.000 0.996 258 R CA -0.188 55.807 56.100 -0.175 0.000 0.847 258 R CB 0.465 30.694 30.300 -0.118 0.000 1.127 258 R HN 0.670 nan 8.270 nan 0.000 0.465 259 Y N 0.645 120.947 120.300 0.003 0.000 2.441 259 Y HA 0.154 4.703 4.550 -0.001 0.000 0.288 259 Y C 0.154 175.771 175.900 -0.472 0.000 1.118 259 Y CA 0.390 58.335 58.100 -0.258 0.000 1.215 259 Y CB 0.502 38.817 38.460 -0.241 0.000 1.118 259 Y HN 0.456 nan 8.280 nan 0.000 0.547 260 W N -0.627 120.829 121.300 0.260 0.000 3.083 260 W HA 0.603 5.262 4.660 -0.001 0.000 0.333 260 W C -0.611 175.987 176.519 0.132 0.000 1.217 260 W CA -1.238 56.207 57.345 0.168 0.000 1.170 260 W CB 1.085 30.621 29.460 0.126 0.000 1.437 260 W HN -0.547 nan 8.180 nan 0.000 0.557 261 R N 1.963 122.641 120.500 0.296 0.000 2.437 261 R HA 0.644 4.983 4.340 -0.001 0.000 0.310 261 R C -1.416 174.877 176.300 -0.012 0.000 0.955 261 R CA -0.721 55.360 56.100 -0.031 0.000 0.851 261 R CB 0.793 31.078 30.300 -0.025 0.000 1.161 261 R HN 0.599 nan 8.270 nan 0.000 0.446 262 I N 4.865 125.368 120.570 -0.112 0.000 2.698 262 I HA 0.277 4.446 4.170 -0.001 0.000 0.276 262 I C 0.827 176.879 176.117 -0.107 0.000 1.166 262 I CA -0.067 61.192 61.300 -0.068 0.000 1.101 262 I CB 1.634 39.622 38.000 -0.020 0.000 1.305 262 I HN 0.993 nan 8.210 nan 0.000 0.526 263 G N 4.168 112.906 108.800 -0.103 0.000 2.687 263 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.303 263 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.303 263 G C 0.924 175.743 174.900 -0.135 0.000 1.209 263 G CA 0.649 45.694 45.100 -0.091 0.000 0.968 263 G HN 0.652 nan 8.290 nan 0.000 0.549 264 S N 0.390 116.022 115.700 -0.113 0.000 2.524 264 S HA 0.492 4.962 4.470 -0.001 0.000 0.215 264 S C 0.964 175.493 174.600 -0.118 0.000 0.986 264 S CA 1.069 59.213 58.200 -0.093 0.000 0.911 264 S CB 0.041 63.220 63.200 -0.034 0.000 0.805 264 S HN 1.292 nan 8.310 nan 0.000 0.501 265 M N 0.030 119.533 119.600 -0.163 0.000 2.537 265 M HA 0.718 5.198 4.480 -0.001 0.000 0.324 265 M C -1.721 174.409 176.300 -0.283 0.000 1.187 265 M CA -0.757 54.506 55.300 -0.062 0.000 0.993 265 M CB 0.921 33.568 32.600 0.079 0.000 1.666 265 M HN -0.008 nan 8.290 nan 0.000 0.461 266 Y N 0.530 120.932 120.300 0.171 0.000 2.376 266 Y HA 0.486 5.035 4.550 -0.001 0.000 0.340 266 Y C -0.581 175.468 175.900 0.249 0.000 0.965 266 Y CA -0.608 57.605 58.100 0.188 0.000 1.078 266 Y CB 1.920 40.459 38.460 0.131 0.000 1.193 266 Y HN 0.665 nan 8.280 nan 0.000 0.452 267 Q N 1.997 122.053 119.800 0.427 0.000 2.296 267 Q HA 0.584 4.923 4.340 -0.001 0.000 0.257 267 Q C -0.047 176.233 176.000 0.467 0.000 0.942 267 Q CA -0.197 55.864 55.803 0.430 0.000 0.939 267 Q CB 1.190 30.193 28.738 0.442 0.000 1.198 267 Q HN 0.896 nan 8.270 nan 0.000 0.429 268 G N 2.160 111.213 108.800 0.422 0.000 2.857 268 G HA2 0.456 4.415 3.960 -0.001 0.000 0.217 268 G HA3 0.456 4.415 3.960 -0.001 0.000 0.217 268 G C -1.270 173.809 174.900 0.299 0.000 1.357 268 G CA -0.646 44.730 45.100 0.459 0.000 1.033 268 G HN 0.499 nan 8.290 nan 0.000 0.571 269 L N 1.125 122.503 121.223 0.259 0.000 2.288 269 L HA 0.508 4.847 4.340 -0.001 0.000 0.283 269 L C 1.295 178.231 176.870 0.110 0.000 1.072 269 L CA 1.219 56.090 54.840 0.052 0.000 0.862 269 L CB 0.189 42.278 42.059 0.050 0.000 1.245 269 L HN 1.147 nan 8.230 nan 0.000 0.432 270 G N 2.445 111.274 108.800 0.049 0.000 3.329 270 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.220 270 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.220 270 G C 0.247 175.193 174.900 0.076 0.000 1.358 270 G CA 0.099 45.216 45.100 0.028 0.000 0.856 270 G HN 0.448 nan 8.290 nan 0.000 0.551 271 W N 2.376 123.799 121.300 0.204 0.000 2.158 271 W HA 0.578 5.238 4.660 -0.001 0.000 0.339 271 W C 0.746 177.403 176.519 0.231 0.000 1.294 271 W CA -0.159 57.303 57.345 0.195 0.000 1.231 271 W CB 0.439 29.984 29.460 0.142 0.000 1.143 271 W HN 0.299 nan 8.180 nan 0.000 0.571 272 E N 2.003 122.544 120.200 0.568 0.000 2.238 272 E HA 0.582 4.931 4.350 -0.001 0.000 0.267 272 E C -0.874 176.013 176.600 0.478 0.000 0.887 272 E CA -1.102 55.594 56.400 0.495 0.000 0.769 272 E CB 1.855 31.839 29.700 0.473 0.000 1.187 272 E HN 0.206 nan 8.360 nan 0.000 0.416 273 M N 2.100 121.930 119.600 0.383 0.000 2.550 273 M HA 0.486 4.965 4.480 -0.001 0.000 0.292 273 M C -1.492 175.013 176.300 0.341 0.000 1.221 273 M CA -0.320 55.151 55.300 0.284 0.000 0.873 273 M CB 1.915 34.626 32.600 0.185 0.000 1.727 273 M HN 0.325 nan 8.290 nan 0.000 0.459 274 L N 0.860 122.255 121.223 0.286 0.000 2.371 274 L HA 0.556 4.895 4.340 -0.001 0.000 0.262 274 L C -0.564 176.471 176.870 0.275 0.000 1.006 274 L CA -0.523 54.487 54.840 0.284 0.000 0.818 274 L CB 2.390 44.537 42.059 0.146 0.000 1.354 274 L HN 0.676 nan 8.230 nan 0.000 0.415 275 N N 0.840 119.692 118.700 0.253 0.000 2.518 275 N HA 0.102 4.842 4.740 -0.001 0.000 0.266 275 N C -1.402 174.256 175.510 0.247 0.000 1.196 275 N CA -0.215 52.948 53.050 0.188 0.000 0.947 275 N CB 0.913 39.476 38.487 0.128 0.000 1.098 275 N HN 0.479 nan 8.380 nan 0.000 0.450 276 W N 3.865 125.205 121.300 0.067 0.000 2.478 276 W HA 0.383 5.043 4.660 -0.001 0.000 0.318 276 W C -2.562 173.988 176.519 0.052 0.000 1.062 276 W CA -1.835 55.562 57.345 0.085 0.000 1.210 276 W CB 1.151 30.677 29.460 0.110 0.000 1.325 276 W HN 0.425 nan 8.180 nan 0.000 0.496 277 P HA 0.267 nan 4.420 nan 0.000 0.278 277 P C -1.174 175.789 177.300 -0.560 0.000 1.238 277 P CA -0.299 61.969 63.100 -1.388 0.000 0.794 277 P CB 2.056 33.030 31.700 -1.208 0.000 0.955 278 V N 1.562 121.201 119.914 -0.460 0.000 2.789 278 V HA 0.304 4.423 4.120 -0.001 0.000 0.311 278 V C -0.622 175.401 176.094 -0.118 0.000 1.073 278 V CA -0.841 61.376 62.300 -0.139 0.000 0.921 278 V CB 2.157 33.981 31.823 0.001 0.000 1.009 278 V HN 0.404 nan 8.190 nan 0.000 0.426 279 E N 3.088 123.197 120.200 -0.152 0.000 2.338 279 E HA 0.389 4.738 4.350 -0.001 0.000 0.272 279 E C 1.009 177.397 176.600 -0.353 0.000 1.029 279 E CA 0.552 56.842 56.400 -0.185 0.000 0.872 279 E CB 1.867 31.478 29.700 -0.149 0.000 1.015 279 E HN 0.855 nan 8.360 nan 0.000 0.417 280 A N 4.823 127.267 122.820 -0.627 0.000 1.884 280 A HA -0.327 3.993 4.320 -0.001 0.000 0.219 280 A C 1.543 178.834 177.584 -0.489 0.000 1.197 280 A CA 2.279 53.738 52.037 -0.964 0.000 0.637 280 A CB -0.600 17.780 19.000 -1.033 0.000 0.827 280 A HN 0.647 nan 8.150 nan 0.000 0.450 281 N N 0.147 118.662 118.700 -0.308 0.000 2.137 281 N HA -0.122 4.617 4.740 -0.001 0.000 0.190 281 N C 1.521 176.927 175.510 -0.174 0.000 1.017 281 N CA 2.005 54.939 53.050 -0.194 0.000 0.859 281 N CB -1.290 37.118 38.487 -0.131 0.000 1.002 281 N HN 0.547 nan 8.380 nan 0.000 0.428 282 T N 0.650 115.091 114.554 -0.189 0.000 2.674 282 T HA -0.066 4.284 4.350 -0.001 0.000 0.265 282 T C 2.134 176.744 174.700 -0.149 0.000 1.039 282 T CA 1.471 63.482 62.100 -0.148 0.000 1.150 282 T CB -0.567 68.219 68.868 -0.136 0.000 0.864 282 T HN 0.056 nan 8.240 nan 0.000 0.427 283 V N 1.322 121.096 119.914 -0.233 0.000 2.270 283 V HA -0.133 3.986 4.120 -0.001 0.000 0.245 283 V C 2.726 178.761 176.094 -0.097 0.000 1.043 283 V CA 1.226 63.404 62.300 -0.204 0.000 1.014 283 V CB -1.087 30.463 31.823 -0.455 0.000 0.645 283 V HN 0.285 nan 8.190 nan 0.000 0.447 284 V N 0.586 120.405 119.914 -0.159 0.000 2.255 284 V HA -0.339 3.781 4.120 -0.001 0.000 0.247 284 V C 2.591 178.636 176.094 -0.083 0.000 1.051 284 V CA 2.550 64.778 62.300 -0.120 0.000 1.018 284 V CB -0.718 31.014 31.823 -0.152 0.000 0.641 284 V HN 0.759 nan 8.190 nan 0.000 0.445 285 E N 0.551 120.700 120.200 -0.085 0.000 2.085 285 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 285 E C 2.224 178.796 176.600 -0.046 0.000 0.994 285 E CA 1.579 57.942 56.400 -0.063 0.000 0.801 285 E CB -0.533 29.128 29.700 -0.065 0.000 0.743 285 E HN 0.564 nan 8.360 nan 0.000 0.453 286 G N 0.494 109.273 108.800 -0.034 0.000 2.443 286 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.219 286 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.219 286 G C 1.704 176.598 174.900 -0.010 0.000 1.131 286 G CA 0.988 46.082 45.100 -0.010 0.000 0.775 286 G HN 0.442 nan 8.290 nan 0.000 0.547 287 S N -0.114 115.577 115.700 -0.014 0.000 2.461 287 S HA -0.004 4.465 4.470 -0.001 0.000 0.228 287 S C 0.780 175.334 174.600 -0.076 0.000 1.005 287 S CA 0.466 58.638 58.200 -0.046 0.000 0.942 287 S CB -0.074 63.089 63.200 -0.061 0.000 0.776 287 S HN 0.296 nan 8.310 nan 0.000 0.514 288 D N 1.389 121.751 120.400 -0.062 0.000 2.414 288 D HA 0.283 4.923 4.640 -0.001 0.000 0.242 288 D C 1.004 177.267 176.300 -0.062 0.000 1.129 288 D CA 0.286 54.251 54.000 -0.058 0.000 0.885 288 D CB 1.115 41.888 40.800 -0.045 0.000 1.198 288 D HN 0.086 nan 8.370 nan 0.000 0.437 289 S N 2.783 118.448 115.700 -0.059 0.000 2.392 289 S HA -0.303 4.166 4.470 -0.001 0.000 0.232 289 S C 1.685 176.261 174.600 -0.041 0.000 1.041 289 S CA 1.811 59.977 58.200 -0.056 0.000 1.026 289 S CB -0.380 62.797 63.200 -0.038 0.000 0.845 289 S HN 0.730 nan 8.310 nan 0.000 0.465 290 K N 0.790 121.172 120.400 -0.031 0.000 2.160 290 K HA -0.084 4.235 4.320 -0.001 0.000 0.206 290 K C 1.643 178.228 176.600 -0.024 0.000 1.047 290 K CA 1.594 57.868 56.287 -0.021 0.000 0.930 290 K CB -0.308 32.181 32.500 -0.018 0.000 0.720 290 K HN 0.263 nan 8.250 nan 0.000 0.450 291 V N 0.916 120.808 119.914 -0.036 0.000 2.490 291 V HA 0.065 4.184 4.120 -0.001 0.000 0.238 291 V C 2.512 178.575 176.094 -0.051 0.000 1.056 291 V CA 1.151 63.428 62.300 -0.038 0.000 1.075 291 V CB -0.186 31.615 31.823 -0.037 0.000 0.746 291 V HN 0.470 nan 8.190 nan 0.000 0.479 292 A N -0.052 122.723 122.820 -0.075 0.000 1.948 292 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 292 A C 2.023 179.524 177.584 -0.139 0.000 1.177 292 A CA 1.882 53.840 52.037 -0.131 0.000 0.636 292 A CB -0.518 18.372 19.000 -0.184 0.000 0.815 292 A HN 0.510 nan 8.150 nan 0.000 0.449 293 L N -1.309 119.867 121.223 -0.079 0.000 2.607 293 L HA 0.265 4.605 4.340 -0.001 0.000 0.228 293 L C 1.102 177.981 176.870 0.015 0.000 1.123 293 L CA -0.056 54.773 54.840 -0.019 0.000 0.890 293 L CB -0.276 41.781 42.059 -0.003 0.000 1.103 293 L HN 0.391 nan 8.230 nan 0.000 0.468 294 A N 1.075 123.892 122.820 -0.005 0.000 2.302 294 A HA 0.568 4.887 4.320 -0.001 0.000 0.285 294 A C -2.344 175.227 177.584 -0.021 0.000 1.105 294 A CA -1.207 50.833 52.037 0.005 0.000 0.816 294 A CB -0.071 18.924 19.000 -0.009 0.000 1.067 294 A HN -0.105 nan 8.150 nan 0.000 0.489 295 P HA 0.501 nan 4.420 nan 0.000 0.282 295 P C -1.141 176.023 177.300 -0.227 0.000 1.274 295 P CA 0.210 63.204 63.100 -0.177 0.000 0.770 295 P CB 0.519 32.098 31.700 -0.202 0.000 0.867 296 L N 5.154 126.225 121.223 -0.254 0.000 2.371 296 L HA 0.583 4.923 4.340 -0.001 0.000 0.262 296 L C -2.402 174.317 176.870 -0.252 0.000 1.006 296 L CA -2.753 51.963 54.840 -0.206 0.000 0.818 296 L CB 2.631 44.619 42.059 -0.118 0.000 1.354 296 L HN 0.163 nan 8.230 nan 0.000 0.415 297 P HA 0.168 nan 4.420 nan 0.000 0.275 297 P C -0.890 176.333 177.300 -0.128 0.000 1.228 297 P CA -0.237 62.754 63.100 -0.182 0.000 0.786 297 P CB 1.341 32.967 31.700 -0.123 0.000 0.927 298 V N -0.738 119.101 119.914 -0.124 0.000 2.919 298 V HA 0.944 5.063 4.120 -0.001 0.000 0.316 298 V C -0.696 175.465 176.094 0.111 0.000 1.077 298 V CA -1.416 60.865 62.300 -0.031 0.000 0.977 298 V CB 1.607 33.303 31.823 -0.212 0.000 1.039 298 V HN 0.672 nan 8.190 nan 0.000 0.441 299 A N 1.988 124.948 122.820 0.233 0.000 2.319 299 A HA 0.657 4.977 4.320 -0.001 0.000 0.310 299 A C -0.257 177.553 177.584 0.378 0.000 1.152 299 A CA -0.606 51.576 52.037 0.241 0.000 0.783 299 A CB 0.919 19.999 19.000 0.133 0.000 1.184 299 A HN 0.998 nan 8.150 nan 0.000 0.474 300 E N 1.149 121.549 120.200 0.333 0.000 2.383 300 E HA 0.393 4.742 4.350 -0.001 0.000 0.264 300 E C -0.981 175.600 176.600 -0.031 0.000 1.050 300 E CA -0.076 56.354 56.400 0.049 0.000 0.896 300 E CB 0.871 30.529 29.700 -0.070 0.000 0.982 300 E HN 0.380 nan 8.360 nan 0.000 0.424 301 V N 5.067 124.877 119.914 -0.174 0.000 2.305 301 V HA 0.229 4.348 4.120 -0.001 0.000 0.275 301 V C -0.467 175.524 176.094 -0.172 0.000 1.020 301 V CA -0.769 61.466 62.300 -0.109 0.000 0.811 301 V CB 0.870 32.658 31.823 -0.057 0.000 1.031 301 V HN 0.498 nan 8.190 nan 0.000 0.439 302 N N 5.055 123.687 118.700 -0.112 0.000 2.448 302 N HA 0.630 5.369 4.740 -0.001 0.000 0.279 302 N C -2.406 173.067 175.510 -0.061 0.000 1.025 302 N CA -1.107 51.885 53.050 -0.096 0.000 0.898 302 N CB 2.452 40.889 38.487 -0.084 0.000 1.303 302 N HN 0.366 nan 8.380 nan 0.000 0.495 303 P HA 0.439 nan 4.420 nan 0.000 0.274 303 P C -2.691 174.534 177.300 -0.125 0.000 1.246 303 P CA -1.042 62.012 63.100 -0.077 0.000 0.795 303 P CB -0.351 31.315 31.700 -0.057 0.000 1.006 304 P HA 0.183 nan 4.420 nan 0.000 0.268 304 P C -0.794 176.348 177.300 -0.263 0.000 1.204 304 P CA -0.051 62.861 63.100 -0.315 0.000 0.768 304 P CB 0.269 31.653 31.700 -0.527 0.000 0.842 305 A N 5.723 128.383 122.820 -0.266 0.000 2.362 305 A HA 0.463 4.782 4.320 -0.001 0.000 0.276 305 A C -2.003 175.449 177.584 -0.220 0.000 1.153 305 A CA -1.449 50.465 52.037 -0.205 0.000 0.813 305 A CB -0.696 18.188 19.000 -0.193 0.000 1.081 305 A HN 0.400 nan 8.150 nan 0.000 0.507 306 P HA 0.178 nan 4.420 nan 0.000 0.271 306 P C -2.650 174.572 177.300 -0.130 0.000 1.233 306 P CA -1.147 61.875 63.100 -0.131 0.000 0.789 306 P CB -0.683 30.961 31.700 -0.093 0.000 0.951 307 P HA -0.028 nan 4.420 nan 0.000 0.263 307 P C -0.514 176.724 177.300 -0.102 0.000 1.175 307 P CA 0.554 63.592 63.100 -0.104 0.000 0.761 307 P CB 0.012 31.660 31.700 -0.085 0.000 0.794 308 V N 4.875 124.721 119.914 -0.112 0.000 2.370 308 V HA 0.144 4.263 4.120 -0.001 0.000 0.279 308 V C 1.499 177.551 176.094 -0.070 0.000 1.029 308 V CA -0.325 61.918 62.300 -0.095 0.000 0.870 308 V CB 1.364 33.115 31.823 -0.120 0.000 0.984 308 V HN 0.379 nan 8.190 nan 0.000 0.451 309 K N 4.030 124.400 120.400 -0.049 0.000 2.063 309 K HA -0.033 4.286 4.320 -0.001 0.000 0.208 309 K C 1.384 177.979 176.600 -0.007 0.000 1.048 309 K CA 1.538 57.804 56.287 -0.035 0.000 0.928 309 K CB -0.290 32.195 32.500 -0.024 0.000 0.713 309 K HN 0.842 nan 8.250 nan 0.000 0.442 310 A N 0.969 123.809 122.820 0.032 0.000 3.063 310 A HA 0.339 4.658 4.320 -0.001 0.000 0.263 310 A C -0.654 177.025 177.584 0.157 0.000 1.736 310 A CA -0.192 51.923 52.037 0.130 0.000 1.408 310 A CB -0.388 18.691 19.000 0.131 0.000 1.108 310 A HN 0.128 nan 8.150 nan 0.000 0.621 311 S N 0.360 116.122 115.700 0.105 0.000 2.627 311 S HA 0.616 5.085 4.470 -0.001 0.000 0.283 311 S C -1.053 173.589 174.600 0.070 0.000 1.127 311 S CA -0.645 57.619 58.200 0.107 0.000 0.863 311 S CB 1.260 64.449 63.200 -0.019 0.000 1.121 311 S HN 0.686 nan 8.310 nan 0.000 0.479 312 W N 2.930 124.185 121.300 -0.074 0.000 2.322 312 W HA 0.558 5.218 4.660 -0.001 0.000 0.321 312 W C -1.883 174.453 176.519 -0.306 0.000 0.991 312 W CA -0.703 56.528 57.345 -0.190 0.000 1.448 312 W CB 0.516 29.962 29.460 -0.023 0.000 1.239 312 W HN 0.391 nan 8.180 nan 0.000 0.399 313 V N 7.473 126.951 119.914 -0.725 0.000 2.407 313 V HA 0.397 4.517 4.120 -0.001 0.000 0.278 313 V C 0.151 175.876 176.094 -0.614 0.000 1.037 313 V CA -0.137 61.709 62.300 -0.756 0.000 0.900 313 V CB 0.777 31.742 31.823 -1.430 0.000 0.983 313 V HN 0.642 nan 8.190 nan 0.000 0.459 314 H N 2.544 121.557 119.070 -0.095 0.000 2.960 314 H HA 0.920 5.475 4.556 -0.001 0.000 0.323 314 H C -1.276 174.265 175.328 0.355 0.000 1.326 314 H CA -1.331 54.764 56.048 0.078 0.000 1.124 314 H CB 2.239 32.083 29.762 0.136 0.000 1.853 314 H HN 0.429 nan 8.280 nan 0.000 0.536 315 K N 1.125 121.602 120.400 0.128 0.000 2.580 315 K HA 0.252 4.572 4.320 -0.001 0.000 0.258 315 K C -1.483 175.196 176.600 0.132 0.000 0.936 315 K CA -0.040 56.283 56.287 0.060 0.000 0.852 315 K CB 2.059 34.578 32.500 0.031 0.000 1.329 315 K HN 0.947 nan 8.250 nan 0.000 0.430 316 T N -0.124 114.513 114.554 0.139 0.000 2.929 316 T HA 0.900 5.249 4.350 -0.001 0.000 0.284 316 T C 0.175 174.944 174.700 0.116 0.000 1.014 316 T CA -0.555 61.666 62.100 0.201 0.000 1.051 316 T CB 1.700 70.604 68.868 0.061 0.000 1.028 316 T HN 0.651 nan 8.240 nan 0.000 0.485 317 G N 0.479 109.352 108.800 0.122 0.000 2.766 317 G HA2 0.577 4.536 3.960 -0.001 0.000 0.297 317 G HA3 0.577 4.536 3.960 -0.001 0.000 0.297 317 G C -1.349 173.619 174.900 0.114 0.000 1.431 317 G CA -0.798 44.376 45.100 0.123 0.000 1.042 317 G HN 0.862 nan 8.290 nan 0.000 0.542 318 S N -0.583 115.182 115.700 0.109 0.000 2.588 318 S HA 0.903 5.373 4.470 -0.001 0.000 0.275 318 S C -0.092 174.575 174.600 0.112 0.000 1.130 318 S CA -0.467 57.802 58.200 0.115 0.000 0.855 318 S CB 2.199 65.436 63.200 0.062 0.000 1.116 318 S HN 1.348 nan 8.310 nan 0.000 0.472 319 T N -2.156 112.494 114.554 0.160 0.000 2.831 319 T HA 0.664 5.014 4.350 -0.001 0.000 0.287 319 T C 1.328 176.118 174.700 0.149 0.000 1.070 319 T CA -0.208 61.974 62.100 0.137 0.000 1.010 319 T CB 0.815 69.792 68.868 0.183 0.000 1.264 319 T HN 0.610 nan 8.240 nan 0.000 0.532 320 G N -0.180 108.693 108.800 0.122 0.000 2.469 320 G HA2 0.132 4.091 3.960 -0.001 0.000 0.220 320 G HA3 0.132 4.091 3.960 -0.001 0.000 0.220 320 G C 1.117 176.103 174.900 0.142 0.000 1.136 320 G CA 0.739 45.903 45.100 0.106 0.000 0.759 320 G HN 1.261 nan 8.290 nan 0.000 0.562 321 G N -1.456 107.479 108.800 0.225 0.000 3.441 321 G HA2 0.481 4.440 3.960 -0.001 0.000 0.263 321 G HA3 0.481 4.440 3.960 -0.001 0.000 0.263 321 G C -0.428 174.506 174.900 0.056 0.000 1.014 321 G CA -0.480 44.696 45.100 0.128 0.000 0.833 321 G HN 0.170 nan 8.290 nan 0.000 0.514 322 F N -0.087 119.961 119.950 0.163 0.000 2.593 322 F HA 0.744 5.270 4.527 -0.001 0.000 0.320 322 F C 0.403 176.303 175.800 0.168 0.000 1.060 322 F CA -1.264 56.868 58.000 0.219 0.000 0.940 322 F CB 2.544 41.696 39.000 0.253 0.000 1.268 322 F HN -0.001 nan 8.300 nan 0.000 0.475 323 G N 0.832 109.849 108.800 0.362 0.000 2.744 323 G HA2 0.560 4.519 3.960 -0.001 0.000 0.286 323 G HA3 0.560 4.519 3.960 -0.001 0.000 0.286 323 G C -1.610 173.395 174.900 0.176 0.000 1.497 323 G CA -0.544 44.650 45.100 0.157 0.000 1.070 323 G HN 0.566 nan 8.290 nan 0.000 0.539 324 S N 0.339 116.132 115.700 0.154 0.000 2.634 324 S HA 0.834 5.304 4.470 -0.001 0.000 0.296 324 S C -1.679 173.064 174.600 0.237 0.000 1.104 324 S CA -0.671 57.639 58.200 0.182 0.000 0.920 324 S CB 2.114 65.420 63.200 0.177 0.000 1.111 324 S HN 0.692 nan 8.310 nan 0.000 0.493 325 Y N 0.844 121.203 120.300 0.098 0.000 2.521 325 Y HA 0.544 5.094 4.550 -0.001 0.000 0.332 325 Y C -1.604 174.396 175.900 0.168 0.000 1.121 325 Y CA -0.983 57.188 58.100 0.118 0.000 1.037 325 Y CB 1.158 39.685 38.460 0.113 0.000 1.330 325 Y HN 0.633 nan 8.280 nan 0.000 0.452 326 V N 1.711 121.355 119.914 -0.449 0.000 2.760 326 V HA 1.074 5.193 4.120 -0.001 0.000 0.309 326 V C -1.254 174.531 176.094 -0.515 0.000 1.077 326 V CA -0.331 61.818 62.300 -0.252 0.000 0.910 326 V CB 1.149 33.059 31.823 0.145 0.000 1.008 326 V HN 1.460 nan 8.190 nan 0.000 0.424 327 A N 4.531 127.133 122.820 -0.364 0.000 2.547 327 A HA 1.030 5.349 4.320 -0.001 0.000 0.297 327 A C -1.176 176.172 177.584 -0.393 0.000 1.056 327 A CA -0.472 51.239 52.037 -0.542 0.000 0.688 327 A CB 1.768 20.309 19.000 -0.765 0.000 1.282 327 A HN 2.260 nan 8.150 nan 0.000 0.400 328 F N -0.521 119.005 119.950 -0.707 0.000 2.668 328 F HA 0.838 5.365 4.527 -0.001 0.000 0.309 328 F C -1.462 173.975 175.800 -0.605 0.000 1.117 328 F CA -1.287 56.365 58.000 -0.579 0.000 0.951 328 F CB 1.269 40.006 39.000 -0.439 0.000 1.323 328 F HN 0.324 nan 8.300 nan 0.000 0.451 329 I N 2.557 122.924 120.570 -0.339 0.000 2.495 329 I HA 0.316 4.485 4.170 -0.001 0.000 0.277 329 I C -2.163 173.859 176.117 -0.158 0.000 1.045 329 I CA -1.868 59.212 61.300 -0.367 0.000 1.135 329 I CB 1.785 39.428 38.000 -0.594 0.000 1.241 329 I HN 0.373 nan 8.210 nan 0.000 0.469 330 P HA -0.213 nan 4.420 nan 0.000 0.216 330 P C 1.441 178.705 177.300 -0.060 0.000 1.150 330 P CA 1.266 64.348 63.100 -0.030 0.000 0.843 330 P CB 0.385 32.073 31.700 -0.020 0.000 0.787 331 E N 0.016 120.182 120.200 -0.057 0.000 2.085 331 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 331 E C 1.316 177.897 176.600 -0.032 0.000 0.994 331 E CA 1.188 57.574 56.400 -0.022 0.000 0.801 331 E CB -0.112 29.612 29.700 0.040 0.000 0.743 331 E HN 0.033 nan 8.360 nan 0.000 0.453 332 K N 0.034 120.393 120.400 -0.069 0.000 2.404 332 K HA 0.034 4.354 4.320 -0.001 0.000 0.194 332 K C 0.105 176.662 176.600 -0.070 0.000 1.023 332 K CA 0.256 56.506 56.287 -0.062 0.000 1.094 332 K CB 0.472 32.917 32.500 -0.091 0.000 0.841 332 K HN 0.234 nan 8.250 nan 0.000 0.523 333 Q N 0.577 120.327 119.800 -0.082 0.000 2.481 333 Q HA -0.188 4.151 4.340 -0.001 0.000 0.272 333 Q C -0.252 175.705 176.000 -0.071 0.000 1.157 333 Q CA 0.703 56.454 55.803 -0.087 0.000 0.935 333 Q CB -1.928 26.753 28.738 -0.095 0.000 1.338 333 Q HN 0.523 nan 8.270 nan 0.000 0.494 334 I N -3.839 116.689 120.570 -0.070 0.000 2.646 334 I HA 0.952 5.122 4.170 -0.001 0.000 0.299 334 I C 0.471 176.541 176.117 -0.079 0.000 1.036 334 I CA -0.817 60.460 61.300 -0.037 0.000 1.074 334 I CB 2.259 40.255 38.000 -0.007 0.000 1.258 334 I HN -0.015 nan 8.210 nan 0.000 0.430 335 G N 4.091 112.859 108.800 -0.052 0.000 2.660 335 G HA2 0.733 4.692 3.960 -0.001 0.000 0.290 335 G HA3 0.733 4.692 3.960 -0.001 0.000 0.290 335 G C -2.036 172.847 174.900 -0.028 0.000 1.432 335 G CA -0.747 44.318 45.100 -0.057 0.000 0.807 335 G HN 0.823 nan 8.290 nan 0.000 0.485 336 I N -0.364 120.192 120.570 -0.023 0.000 2.841 336 I HA 0.644 4.814 4.170 -0.001 0.000 0.298 336 I C -1.412 174.740 176.117 0.057 0.000 1.304 336 I CA -0.932 60.390 61.300 0.037 0.000 1.019 336 I CB 2.385 40.420 38.000 0.059 0.000 1.282 336 I HN 0.386 nan 8.210 nan 0.000 0.432 337 V N 7.327 127.310 119.914 0.116 0.000 2.577 337 V HA 0.523 4.642 4.120 -0.001 0.000 0.303 337 V C -0.597 175.598 176.094 0.168 0.000 1.042 337 V CA -0.381 62.001 62.300 0.137 0.000 0.872 337 V CB 1.840 33.756 31.823 0.155 0.000 0.998 337 V HN 0.637 nan 8.190 nan 0.000 0.423 338 M N 6.363 126.067 119.600 0.174 0.000 2.093 338 M HA 0.580 5.059 4.480 -0.001 0.000 0.297 338 M C -1.320 175.049 176.300 0.116 0.000 0.938 338 M CA -0.108 55.304 55.300 0.187 0.000 0.920 338 M CB 1.742 34.507 32.600 0.275 0.000 1.517 338 M HN 0.391 nan 8.290 nan 0.000 0.427 339 L N 2.866 124.059 121.223 -0.052 0.000 2.305 339 L HA 0.967 5.306 4.340 -0.001 0.000 0.284 339 L C -0.256 176.414 176.870 -0.334 0.000 1.013 339 L CA -0.732 53.915 54.840 -0.321 0.000 0.819 339 L CB 1.516 43.125 42.059 -0.749 0.000 1.227 339 L HN 0.740 nan 8.230 nan 0.000 0.417 340 A N 2.238 125.113 122.820 0.091 0.000 2.413 340 A HA 0.585 4.905 4.320 -0.001 0.000 0.307 340 A C -0.098 177.811 177.584 0.542 0.000 1.087 340 A CA -0.738 51.521 52.037 0.370 0.000 0.750 340 A CB 1.253 20.529 19.000 0.459 0.000 1.296 340 A HN 0.765 nan 8.150 nan 0.000 0.423 341 N N 0.644 119.609 118.700 0.442 0.000 2.376 341 N HA 0.177 4.916 4.740 -0.001 0.000 0.249 341 N C -0.541 174.952 175.510 -0.030 0.000 1.140 341 N CA 0.094 53.129 53.050 -0.025 0.000 0.870 341 N CB 0.809 39.248 38.487 -0.081 0.000 1.124 341 N HN 0.400 nan 8.380 nan 0.000 0.505 342 T N -0.960 113.679 114.554 0.140 0.000 3.097 342 T HA 0.247 4.596 4.350 -0.001 0.000 0.332 342 T C -1.647 173.221 174.700 0.280 0.000 1.269 342 T CA -0.484 61.727 62.100 0.184 0.000 1.076 342 T CB 1.261 70.243 68.868 0.189 0.000 1.209 342 T HN 0.033 nan 8.240 nan 0.000 0.474 343 S N 3.851 119.675 115.700 0.207 0.000 2.411 343 S HA 0.514 4.983 4.470 -0.001 0.000 0.304 343 S C -0.625 174.078 174.600 0.171 0.000 1.098 343 S CA -0.621 57.672 58.200 0.154 0.000 1.068 343 S CB -0.755 62.513 63.200 0.113 0.000 1.032 343 S HN 0.516 nan 8.310 nan 0.000 0.511 344 Y N 2.923 123.263 120.300 0.067 0.000 2.496 344 Y HA 0.785 5.334 4.550 -0.001 0.000 0.331 344 Y C -2.830 173.086 175.900 0.027 0.000 1.140 344 Y CA -3.614 54.511 58.100 0.042 0.000 1.166 344 Y CB -0.727 37.756 38.460 0.038 0.000 1.249 344 Y HN 0.311 nan 8.280 nan 0.000 0.479 345 P HA -0.016 nan 4.420 nan 0.000 0.263 345 P C 0.039 177.258 177.300 -0.135 0.000 1.175 345 P CA 0.428 63.513 63.100 -0.025 0.000 0.761 345 P CB 0.745 32.469 31.700 0.040 0.000 0.794 346 N N 4.573 123.183 118.700 -0.150 0.000 2.018 346 N HA -0.149 4.590 4.740 -0.001 0.000 0.196 346 N C -0.816 174.588 175.510 -0.177 0.000 1.043 346 N CA 1.926 54.861 53.050 -0.191 0.000 0.856 346 N CB -1.960 36.437 38.487 -0.150 0.000 1.042 346 N HN 0.439 nan 8.380 nan 0.000 0.423 347 P HA -0.136 nan 4.420 nan 0.000 0.217 347 P C 0.885 178.149 177.300 -0.060 0.000 1.151 347 P CA 1.867 64.917 63.100 -0.085 0.000 0.849 347 P CB -0.129 31.540 31.700 -0.052 0.000 0.787 348 A N -0.284 122.539 122.820 0.004 0.000 1.969 348 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 348 A C 2.186 179.847 177.584 0.130 0.000 1.169 348 A CA 1.184 53.278 52.037 0.096 0.000 0.635 348 A CB -0.825 18.304 19.000 0.215 0.000 0.810 348 A HN 0.143 nan 8.150 nan 0.000 0.445 349 R N -0.563 119.962 120.500 0.042 0.000 2.073 349 R HA -0.032 4.307 4.340 -0.001 0.000 0.229 349 R C 1.927 178.151 176.300 -0.127 0.000 1.120 349 R CA 1.385 57.490 56.100 0.008 0.000 0.967 349 R CB -0.733 29.436 30.300 -0.218 0.000 0.862 349 R HN 0.343 nan 8.270 nan 0.000 0.436 350 V N 1.684 121.410 119.914 -0.315 0.000 2.358 350 V HA -0.227 3.893 4.120 -0.001 0.000 0.246 350 V C 2.378 178.474 176.094 0.003 0.000 1.047 350 V CA 1.897 64.058 62.300 -0.231 0.000 1.035 350 V CB -0.512 31.176 31.823 -0.225 0.000 0.658 350 V HN 0.374 nan 8.190 nan 0.000 0.452 351 E N 0.208 120.361 120.200 -0.078 0.000 2.077 351 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 351 E C 2.265 178.728 176.600 -0.228 0.000 0.989 351 E CA 1.368 57.650 56.400 -0.197 0.000 0.800 351 E CB -0.207 29.415 29.700 -0.130 0.000 0.746 351 E HN 0.564 nan 8.360 nan 0.000 0.452 352 A N 1.109 123.928 122.820 -0.002 0.000 1.902 352 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 352 A C 2.364 180.046 177.584 0.163 0.000 1.181 352 A CA 1.814 53.910 52.037 0.098 0.000 0.623 352 A CB -0.721 18.355 19.000 0.128 0.000 0.818 352 A HN 0.402 nan 8.150 nan 0.000 0.443 353 A N -1.742 121.225 122.820 0.244 0.000 1.898 353 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 353 A C 2.143 179.952 177.584 0.374 0.000 1.181 353 A CA 1.574 53.820 52.037 0.350 0.000 0.620 353 A CB -0.802 18.546 19.000 0.580 0.000 0.819 353 A HN 0.675 nan 8.150 nan 0.000 0.442 354 Y N 0.328 120.798 120.300 0.283 0.000 2.145 354 Y HA -0.289 4.260 4.550 -0.001 0.000 0.286 354 Y C 2.401 178.436 175.900 0.225 0.000 1.145 354 Y CA 2.372 60.639 58.100 0.280 0.000 1.148 354 Y CB -0.528 37.943 38.460 0.018 0.000 0.981 354 Y HN 0.580 nan 8.280 nan 0.000 0.507 355 H N -1.082 118.193 119.070 0.341 0.000 2.353 355 H HA -0.164 4.391 4.556 -0.001 0.000 0.300 355 H C 2.153 177.534 175.328 0.088 0.000 1.090 355 H CA 1.427 57.598 56.048 0.206 0.000 1.327 355 H CB -0.232 29.629 29.762 0.164 0.000 1.383 355 H HN 0.521 nan 8.280 nan 0.000 0.508 356 I N 0.166 120.850 120.570 0.191 0.000 2.252 356 I HA -0.179 3.990 4.170 -0.001 0.000 0.245 356 I C 1.834 177.962 176.117 0.019 0.000 1.102 356 I CA 1.484 62.827 61.300 0.072 0.000 1.385 356 I CB -0.415 37.611 38.000 0.043 0.000 1.064 356 I HN 0.144 nan 8.210 nan 0.000 0.414 357 L N 0.936 122.172 121.223 0.022 0.000 2.191 357 L HA -0.153 4.186 4.340 -0.001 0.000 0.212 357 L C 2.591 179.420 176.870 -0.068 0.000 1.103 357 L CA 1.576 56.388 54.840 -0.047 0.000 0.769 357 L CB -0.936 41.084 42.059 -0.064 0.000 0.908 357 L HN 0.488 nan 8.230 nan 0.000 0.438 358 E N 1.104 121.270 120.200 -0.056 0.000 2.204 358 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 358 E C 1.497 178.117 176.600 0.034 0.000 0.989 358 E CA 1.228 57.621 56.400 -0.012 0.000 0.824 358 E CB -0.379 29.367 29.700 0.077 0.000 0.756 358 E HN 0.273 nan 8.360 nan 0.000 0.477 359 A N 1.934 124.760 122.820 0.010 0.000 2.543 359 A HA 0.230 4.549 4.320 -0.001 0.000 0.258 359 A C 0.409 177.978 177.584 -0.026 0.000 1.391 359 A CA -0.290 51.740 52.037 -0.011 0.000 1.066 359 A CB -1.093 17.881 19.000 -0.044 0.000 0.972 359 A HN 0.304 nan 8.150 nan 0.000 0.560 360 L N 0.000 121.232 121.223 0.015 0.000 2.949 360 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 360 L CA 0.000 54.870 54.840 0.050 0.000 0.813 360 L CB 0.000 42.116 42.059 0.095 0.000 0.961 360 L HN 0.000 nan 8.230 nan 0.000 0.502