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 3mue_1_B DATA FIRST_RESID -1 DATA SEQUENCE NAMLIIETLP LLRQHIRRLR QEGKRVALVP TMGNLHDGHM KLVDEAKARA DATA SEQUENCE DVVIVSIFVN PMQFDRPDDL VRYPRTLQED CEKLNKRKVD YVFAPAVEEI DATA SEQUENCE YPHGLEGQTY VDVPGLSTML EGASRPGHFR GVSTIVSKLF NLIQPDIACF DATA SEQUENCE GEKDFQQLAL IRKMVADMSY DIEIVGVPII RAKDGLALSS RNAYLTAEQR DATA SEQUENCE KIAPGLYNVM NSIAEKLIAG NRELQEIIAI AEQELNEKGF RADDIQIRDA DATA SEQUENCE DTLLELTETS KRAVILAAAW LGQARLIDNQ SVTLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.460 175.510 -0.084 0.000 1.280 -1 N CA 0.000 53.017 53.050 -0.055 0.000 0.885 -1 N CB 0.000 38.468 38.487 -0.031 0.000 1.341 0 A N 2.954 125.728 122.820 -0.076 0.000 2.567 0 A HA 0.210 4.528 4.320 -0.003 0.000 0.240 0 A C 0.710 178.211 177.584 -0.139 0.000 1.053 0 A CA 0.066 52.052 52.037 -0.084 0.000 0.755 0 A CB -0.289 18.674 19.000 -0.061 0.000 0.978 0 A HN 0.412 nan 8.150 nan 0.000 0.507 1 M N 3.101 122.623 119.600 -0.130 0.000 2.260 1 M HA 0.154 4.632 4.480 -0.003 0.000 0.348 1 M C -0.704 175.483 176.300 -0.189 0.000 1.342 1 M CA 0.532 55.728 55.300 -0.173 0.000 1.040 1 M CB -0.047 32.489 32.600 -0.107 0.000 1.810 1 M HN 0.623 nan 8.290 nan 0.000 0.453 2 L N 6.779 127.821 121.223 -0.302 0.000 2.309 2 L HA 0.507 4.845 4.340 -0.003 0.000 0.282 2 L C -0.692 176.120 176.870 -0.097 0.000 1.036 2 L CA -0.646 54.061 54.840 -0.221 0.000 0.806 2 L CB 1.480 43.333 42.059 -0.343 0.000 1.220 2 L HN 0.717 nan 8.230 nan 0.000 0.429 3 I N 4.924 125.471 120.570 -0.039 0.000 2.382 3 I HA 0.327 4.495 4.170 -0.003 0.000 0.286 3 I C -0.602 175.540 176.117 0.042 0.000 1.002 3 I CA -0.713 60.596 61.300 0.014 0.000 1.135 3 I CB 1.759 39.760 38.000 0.002 0.000 1.288 3 I HN 0.284 nan 8.210 nan 0.000 0.448 4 I N 5.694 126.329 120.570 0.108 0.000 2.354 4 I HA 0.272 4.440 4.170 -0.003 0.000 0.292 4 I C 1.039 177.260 176.117 0.174 0.000 0.989 4 I CA -0.414 60.972 61.300 0.143 0.000 1.188 4 I CB 1.238 39.341 38.000 0.172 0.000 1.342 4 I HN 0.661 nan 8.210 nan 0.000 0.457 5 E N 2.592 122.853 120.200 0.102 0.000 2.340 5 E HA 0.003 4.351 4.350 -0.003 0.000 0.194 5 E C 0.221 176.878 176.600 0.095 0.000 0.996 5 E CA 0.529 56.955 56.400 0.044 0.000 0.869 5 E CB 0.477 30.187 29.700 0.016 0.000 0.835 5 E HN 0.763 nan 8.360 nan 0.000 0.493 6 T N -2.464 112.188 114.554 0.163 0.000 2.863 6 T HA 0.361 4.709 4.350 -0.003 0.000 0.285 6 T C 0.970 175.764 174.700 0.158 0.000 1.009 6 T CA -0.707 61.474 62.100 0.136 0.000 0.989 6 T CB 1.783 70.692 68.868 0.067 0.000 1.004 6 T HN -0.125 nan 8.240 nan 0.000 0.455 7 L N 1.716 123.008 121.223 0.116 0.000 2.043 7 L HA 0.014 4.352 4.340 -0.003 0.000 0.212 7 L C -0.659 176.197 176.870 -0.024 0.000 1.075 7 L CA 1.513 56.366 54.840 0.022 0.000 0.752 7 L CB -1.360 40.702 42.059 0.006 0.000 0.891 7 L HN 0.532 nan 8.230 nan 0.000 0.432 8 P HA -0.149 nan 4.420 nan 0.000 0.217 8 P C 1.716 179.024 177.300 0.013 0.000 1.151 8 P CA 0.827 63.926 63.100 -0.001 0.000 0.828 8 P CB 0.079 31.785 31.700 0.009 0.000 0.788 9 L N -0.547 120.702 121.223 0.044 0.000 2.046 9 L HA -0.107 4.231 4.340 -0.003 0.000 0.208 9 L C 2.071 179.008 176.870 0.111 0.000 1.077 9 L CA 1.741 56.639 54.840 0.098 0.000 0.747 9 L CB -1.848 40.278 42.059 0.113 0.000 0.896 9 L HN -0.096 nan 8.230 nan 0.000 0.432 10 L N 0.099 121.319 121.223 -0.004 0.000 1.990 10 L HA -0.244 4.094 4.340 -0.003 0.000 0.213 10 L C 2.802 179.602 176.870 -0.118 0.000 1.072 10 L CA 2.112 56.865 54.840 -0.144 0.000 0.755 10 L CB -0.799 40.989 42.059 -0.452 0.000 0.889 10 L HN 0.315 nan 8.230 nan 0.000 0.432 11 R N -0.871 119.564 120.500 -0.108 0.000 2.113 11 R HA -0.280 4.058 4.340 -0.003 0.000 0.244 11 R C 2.426 178.690 176.300 -0.060 0.000 1.142 11 R CA 2.188 58.236 56.100 -0.087 0.000 0.953 11 R CB -0.391 29.871 30.300 -0.063 0.000 0.860 11 R HN 0.714 nan 8.270 nan 0.000 0.438 12 Q N -0.790 118.992 119.800 -0.031 0.000 2.030 12 Q HA -0.243 4.095 4.340 -0.003 0.000 0.204 12 Q C 1.653 177.589 176.000 -0.107 0.000 0.986 12 Q CA 2.147 57.913 55.803 -0.061 0.000 0.843 12 Q CB -0.190 28.510 28.738 -0.063 0.000 0.904 12 Q HN 0.561 nan 8.270 nan 0.000 0.420 13 H N 0.006 119.023 119.070 -0.089 0.000 2.387 13 H HA -0.079 4.475 4.556 -0.003 0.000 0.299 13 H C 1.907 177.123 175.328 -0.188 0.000 1.090 13 H CA 1.616 57.591 56.048 -0.121 0.000 1.332 13 H CB 0.110 29.776 29.762 -0.160 0.000 1.386 13 H HN 0.281 nan 8.280 nan 0.000 0.516 14 I N 0.566 121.080 120.570 -0.093 0.000 2.133 14 I HA -0.233 3.935 4.170 -0.003 0.000 0.238 14 I C 2.218 178.280 176.117 -0.092 0.000 1.074 14 I CA 1.275 62.496 61.300 -0.132 0.000 1.342 14 I CB -0.833 37.081 38.000 -0.143 0.000 1.053 14 I HN 0.225 nan 8.210 nan 0.000 0.404 15 R N 0.036 120.490 120.500 -0.077 0.000 2.119 15 R HA -0.226 4.112 4.340 -0.003 0.000 0.246 15 R C 2.455 178.719 176.300 -0.060 0.000 1.146 15 R CA 1.704 57.767 56.100 -0.062 0.000 0.962 15 R CB -0.397 29.869 30.300 -0.057 0.000 0.863 15 R HN 0.310 nan 8.270 nan 0.000 0.442 16 R N 0.792 121.248 120.500 -0.073 0.000 2.066 16 R HA -0.100 4.238 4.340 -0.003 0.000 0.232 16 R C 2.220 178.496 176.300 -0.040 0.000 1.131 16 R CA 1.340 57.403 56.100 -0.063 0.000 0.955 16 R CB -0.245 30.000 30.300 -0.091 0.000 0.851 16 R HN 0.211 nan 8.270 nan 0.000 0.432 17 L N 0.417 121.612 121.223 -0.047 0.000 2.042 17 L HA -0.197 4.141 4.340 -0.003 0.000 0.210 17 L C 2.766 179.617 176.870 -0.033 0.000 1.076 17 L CA 1.395 56.213 54.840 -0.036 0.000 0.749 17 L CB -0.423 41.592 42.059 -0.074 0.000 0.893 17 L HN 0.202 nan 8.230 nan 0.000 0.432 18 R N 0.422 120.897 120.500 -0.041 0.000 2.073 18 R HA -0.207 4.131 4.340 -0.003 0.000 0.234 18 R C 2.187 178.473 176.300 -0.024 0.000 1.134 18 R CA 1.781 57.862 56.100 -0.032 0.000 0.952 18 R CB -0.477 29.802 30.300 -0.035 0.000 0.850 18 R HN 0.578 nan 8.270 nan 0.000 0.433 19 Q N 0.593 120.378 119.800 -0.025 0.000 2.482 19 Q HA -0.039 4.299 4.340 -0.003 0.000 0.209 19 Q C 0.698 176.690 176.000 -0.013 0.000 0.961 19 Q CA 1.080 56.871 55.803 -0.019 0.000 0.945 19 Q CB 0.193 28.918 28.738 -0.022 0.000 1.012 19 Q HN 0.392 nan 8.270 nan 0.000 0.515 20 E N 0.470 120.664 120.200 -0.011 0.000 2.474 20 E HA 0.128 4.476 4.350 -0.003 0.000 0.195 20 E C 0.566 177.165 176.600 -0.002 0.000 1.039 20 E CA 0.087 56.486 56.400 -0.003 0.000 0.881 20 E CB 0.430 30.133 29.700 0.005 0.000 0.970 20 E HN 0.565 nan 8.360 nan 0.000 0.486 21 G N 2.916 111.711 108.800 -0.007 0.000 2.361 21 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.294 21 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.294 21 G C -0.036 174.862 174.900 -0.003 0.000 1.004 21 G CA 0.566 45.661 45.100 -0.007 0.000 0.870 21 G HN 0.153 nan 8.290 nan 0.000 0.510 22 K N -0.260 120.140 120.400 -0.000 0.000 2.322 22 K HA 0.246 4.564 4.320 -0.003 0.000 0.283 22 K C 0.969 177.569 176.600 -0.000 0.000 1.042 22 K CA -0.599 55.693 56.287 0.007 0.000 0.958 22 K CB 0.701 33.213 32.500 0.021 0.000 0.984 22 K HN 0.362 nan 8.250 nan 0.000 0.473 23 R N 2.863 123.365 120.500 0.003 0.000 2.296 23 R HA 0.113 4.451 4.340 -0.003 0.000 0.323 23 R C -0.963 175.337 176.300 0.000 0.000 1.067 23 R CA -0.281 55.817 56.100 -0.002 0.000 0.946 23 R CB 0.416 30.716 30.300 0.001 0.000 0.991 23 R HN 0.264 nan 8.270 nan 0.000 0.448 24 V N 4.180 124.087 119.914 -0.012 0.000 2.435 24 V HA 0.611 4.729 4.120 -0.003 0.000 0.290 24 V C -0.098 175.989 176.094 -0.012 0.000 1.030 24 V CA -0.685 61.607 62.300 -0.012 0.000 0.881 24 V CB 1.503 33.303 31.823 -0.037 0.000 0.983 24 V HN 0.954 nan 8.190 nan 0.000 0.445 25 A N 4.899 127.721 122.820 0.004 0.000 2.337 25 A HA 0.892 5.210 4.320 -0.003 0.000 0.329 25 A C -1.171 176.422 177.584 0.014 0.000 1.146 25 A CA -0.524 51.518 52.037 0.008 0.000 0.800 25 A CB 1.345 20.355 19.000 0.015 0.000 1.220 25 A HN 0.770 nan 8.150 nan 0.000 0.472 26 L N 2.749 123.984 121.223 0.019 0.000 2.341 26 L HA 0.731 5.069 4.340 -0.003 0.000 0.278 26 L C -1.131 175.735 176.870 -0.007 0.000 1.005 26 L CA -0.309 54.550 54.840 0.033 0.000 0.818 26 L CB 2.108 44.219 42.059 0.086 0.000 1.259 26 L HN 0.378 nan 8.230 nan 0.000 0.418 27 V N 6.559 126.457 119.914 -0.027 0.000 2.340 27 V HA 0.470 4.588 4.120 -0.003 0.000 0.277 27 V C -2.322 173.721 176.094 -0.086 0.000 1.017 27 V CA -1.131 61.105 62.300 -0.106 0.000 0.820 27 V CB 1.248 33.035 31.823 -0.060 0.000 1.028 27 V HN 0.693 nan 8.190 nan 0.000 0.436 28 P HA 0.517 nan 4.420 nan 0.000 0.288 28 P C -0.404 176.869 177.300 -0.045 0.000 1.267 28 P CA 0.020 63.088 63.100 -0.054 0.000 0.815 28 P CB 1.720 33.398 31.700 -0.036 0.000 0.989 29 T N -0.892 113.677 114.554 0.025 0.000 2.821 29 T HA 0.461 4.809 4.350 -0.003 0.000 0.306 29 T C 0.355 175.078 174.700 0.038 0.000 1.313 29 T CA -0.818 61.306 62.100 0.040 0.000 1.012 29 T CB 0.936 69.811 68.868 0.011 0.000 1.298 29 T HN 0.142 nan 8.240 nan 0.000 0.502 30 M N 1.831 121.448 119.600 0.030 0.000 2.637 30 M HA 0.341 4.819 4.480 -0.003 0.000 0.286 30 M C 1.235 177.510 176.300 -0.042 0.000 1.246 30 M CA 0.357 55.651 55.300 -0.010 0.000 0.978 30 M CB -0.684 31.917 32.600 0.001 0.000 1.417 30 M HN 1.286 nan 8.290 nan 0.000 0.487 31 G N 1.713 110.471 108.800 -0.071 0.000 2.693 31 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.226 31 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.226 31 G C 0.070 174.894 174.900 -0.127 0.000 1.354 31 G CA -0.464 44.575 45.100 -0.102 0.000 0.873 31 G HN 0.578 nan 8.290 nan 0.000 0.562 32 N N -1.045 117.602 118.700 -0.090 0.000 2.671 32 N HA -0.153 4.585 4.740 -0.003 0.000 0.261 32 N C 0.450 175.906 175.510 -0.090 0.000 1.053 32 N CA 1.414 54.440 53.050 -0.040 0.000 0.732 32 N CB -0.977 37.524 38.487 0.024 0.000 0.887 32 N HN 0.775 nan 8.380 nan 0.000 0.546 33 L N 1.011 122.116 121.223 -0.196 0.000 2.395 33 L HA 0.337 4.675 4.340 -0.003 0.000 0.269 33 L C 1.232 178.089 176.870 -0.022 0.000 1.133 33 L CA -0.278 54.323 54.840 -0.399 0.000 0.812 33 L CB 0.662 42.523 42.059 -0.330 0.000 1.125 33 L HN 0.480 nan 8.230 nan 0.000 0.452 34 H N -1.908 117.254 119.070 0.153 0.000 3.048 34 H HA 0.335 4.890 4.556 -0.003 0.000 0.296 34 H C -0.241 175.202 175.328 0.191 0.000 1.508 34 H CA -0.891 55.261 56.048 0.173 0.000 1.250 34 H CB 0.462 30.325 29.762 0.169 0.000 1.896 34 H HN 0.331 nan 8.280 nan 0.000 0.604 35 D N -0.178 120.389 120.400 0.278 0.000 2.263 35 D HA -0.060 4.578 4.640 -0.003 0.000 0.208 35 D C 2.219 178.578 176.300 0.097 0.000 0.971 35 D CA 1.538 55.629 54.000 0.151 0.000 0.867 35 D CB -0.696 40.185 40.800 0.135 0.000 0.929 35 D HN 0.745 nan 8.370 nan 0.000 0.492 36 G N 0.142 109.018 108.800 0.126 0.000 2.459 36 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.217 36 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.217 36 G C 1.242 175.986 174.900 -0.259 0.000 1.183 36 G CA 1.002 46.048 45.100 -0.091 0.000 0.776 36 G HN 0.371 nan 8.290 nan 0.000 0.552 37 H N -0.190 118.684 119.070 -0.327 0.000 2.421 37 H HA 0.046 4.600 4.556 -0.003 0.000 0.298 37 H C 2.692 177.955 175.328 -0.108 0.000 1.087 37 H CA 1.357 57.283 56.048 -0.203 0.000 1.330 37 H CB -0.099 29.523 29.762 -0.233 0.000 1.388 37 H HN 0.169 nan 8.280 nan 0.000 0.526 38 M N 0.524 120.147 119.600 0.037 0.000 2.202 38 M HA -0.139 4.339 4.480 -0.003 0.000 0.262 38 M C 2.184 178.490 176.300 0.011 0.000 1.063 38 M CA 1.316 56.631 55.300 0.025 0.000 1.097 38 M CB -0.615 32.002 32.600 0.027 0.000 1.382 38 M HN 0.168 nan 8.290 nan 0.000 0.413 39 K N 0.947 121.347 120.400 -0.000 0.000 2.097 39 K HA -0.043 4.275 4.320 -0.003 0.000 0.205 39 K C 1.881 178.479 176.600 -0.003 0.000 1.050 39 K CA 1.032 57.319 56.287 -0.000 0.000 0.938 39 K CB -0.275 32.223 32.500 -0.003 0.000 0.718 39 K HN 0.310 nan 8.250 nan 0.000 0.442 40 L N -0.083 121.129 121.223 -0.017 0.000 2.017 40 L HA -0.184 4.154 4.340 -0.003 0.000 0.208 40 L C 2.299 179.166 176.870 -0.004 0.000 1.073 40 L CA 1.134 55.963 54.840 -0.017 0.000 0.745 40 L CB -0.701 41.332 42.059 -0.043 0.000 0.894 40 L HN 0.023 nan 8.230 nan 0.000 0.432 41 V N 0.074 119.990 119.914 0.003 0.000 2.287 41 V HA -0.321 3.797 4.120 -0.003 0.000 0.248 41 V C 2.247 178.347 176.094 0.010 0.000 1.053 41 V CA 2.041 64.346 62.300 0.008 0.000 1.027 41 V CB -0.559 31.271 31.823 0.012 0.000 0.646 41 V HN 0.441 nan 8.190 nan 0.000 0.447 42 D N -0.292 120.114 120.400 0.010 0.000 2.126 42 D HA -0.190 4.448 4.640 -0.003 0.000 0.190 42 D C 2.270 178.578 176.300 0.013 0.000 1.001 42 D CA 1.405 55.412 54.000 0.011 0.000 0.841 42 D CB -0.300 40.507 40.800 0.011 0.000 0.949 42 D HN 0.401 nan 8.370 nan 0.000 0.446 43 E N 0.422 120.630 120.200 0.014 0.000 2.085 43 E HA -0.148 4.200 4.350 -0.003 0.000 0.194 43 E C 2.081 178.692 176.600 0.018 0.000 0.994 43 E CA 1.005 57.416 56.400 0.018 0.000 0.801 43 E CB -0.344 29.369 29.700 0.022 0.000 0.743 43 E HN 0.262 nan 8.360 nan 0.000 0.453 44 A N 1.641 124.470 122.820 0.016 0.000 1.877 44 A HA -0.182 4.136 4.320 -0.003 0.000 0.216 44 A C 2.080 179.675 177.584 0.018 0.000 1.186 44 A CA 1.431 53.478 52.037 0.016 0.000 0.620 44 A CB -0.338 18.670 19.000 0.012 0.000 0.822 44 A HN 0.080 nan 8.150 nan 0.000 0.443 45 K N -0.398 120.012 120.400 0.017 0.000 2.152 45 K HA -0.108 4.210 4.320 -0.003 0.000 0.206 45 K C 1.981 178.590 176.600 0.016 0.000 1.048 45 K CA 1.167 57.465 56.287 0.018 0.000 0.933 45 K CB -0.278 32.231 32.500 0.015 0.000 0.721 45 K HN 0.473 nan 8.250 nan 0.000 0.447 46 A N 0.655 123.485 122.820 0.016 0.000 2.169 46 A HA -0.006 4.312 4.320 -0.003 0.000 0.212 46 A C 1.656 179.249 177.584 0.015 0.000 1.153 46 A CA 0.591 52.636 52.037 0.015 0.000 0.756 46 A CB 0.063 19.072 19.000 0.015 0.000 0.813 46 A HN 0.162 nan 8.150 nan 0.000 0.471 47 R N -1.487 119.022 120.500 0.016 0.000 2.476 47 R HA 0.501 4.839 4.340 -0.003 0.000 0.276 47 R C -0.181 176.127 176.300 0.013 0.000 0.941 47 R CA 0.638 56.747 56.100 0.015 0.000 1.088 47 R CB 0.835 31.146 30.300 0.018 0.000 1.216 47 R HN 0.390 nan 8.270 nan 0.000 0.533 48 A N -0.348 122.481 122.820 0.015 0.000 2.612 48 A HA 0.289 4.607 4.320 -0.003 0.000 0.293 48 A C -0.715 176.881 177.584 0.020 0.000 1.075 48 A CA -0.786 51.261 52.037 0.015 0.000 0.680 48 A CB 1.282 20.291 19.000 0.015 0.000 1.279 48 A HN -0.036 nan 8.150 nan 0.000 0.411 49 D N -0.276 120.137 120.400 0.022 0.000 2.117 49 D HA 0.041 4.679 4.640 -0.003 0.000 0.198 49 D C 0.417 176.742 176.300 0.043 0.000 0.982 49 D CA 1.842 55.859 54.000 0.028 0.000 0.828 49 D CB 0.184 41.000 40.800 0.027 0.000 0.967 49 D HN 0.228 nan 8.370 nan 0.000 0.464 50 V N 0.753 120.698 119.914 0.051 0.000 2.709 50 V HA 0.307 4.425 4.120 -0.003 0.000 0.308 50 V C -0.425 175.716 176.094 0.078 0.000 1.062 50 V CA -0.762 61.590 62.300 0.087 0.000 0.901 50 V CB 3.036 34.930 31.823 0.119 0.000 1.003 50 V HN -0.264 nan 8.190 nan 0.000 0.425 51 V N 5.875 125.847 119.914 0.098 0.000 2.409 51 V HA 0.528 4.646 4.120 -0.003 0.000 0.291 51 V C -0.320 175.846 176.094 0.119 0.000 1.020 51 V CA -0.413 61.934 62.300 0.079 0.000 0.848 51 V CB 1.734 33.587 31.823 0.051 0.000 0.990 51 V HN 0.615 nan 8.190 nan 0.000 0.430 52 I N 5.454 126.080 120.570 0.093 0.000 2.378 52 I HA 0.519 4.687 4.170 -0.003 0.000 0.291 52 I C -0.536 175.630 176.117 0.082 0.000 0.992 52 I CA -0.748 60.618 61.300 0.111 0.000 1.154 52 I CB 1.899 39.933 38.000 0.055 0.000 1.315 52 I HN 0.227 nan 8.210 nan 0.000 0.448 53 V N 4.872 124.842 119.914 0.093 0.000 2.513 53 V HA 0.384 4.502 4.120 -0.003 0.000 0.299 53 V C 0.209 176.365 176.094 0.103 0.000 1.035 53 V CA -0.483 61.858 62.300 0.068 0.000 0.889 53 V CB 2.022 33.867 31.823 0.036 0.000 0.988 53 V HN 0.904 nan 8.190 nan 0.000 0.440 54 S N 5.345 121.104 115.700 0.098 0.000 2.472 54 S HA 0.818 5.286 4.470 -0.003 0.000 0.303 54 S C -0.889 173.748 174.600 0.061 0.000 1.099 54 S CA -0.635 57.644 58.200 0.131 0.000 1.077 54 S CB 1.348 64.678 63.200 0.216 0.000 1.031 54 S HN 0.508 nan 8.310 nan 0.000 0.487 55 I N 3.501 124.082 120.570 0.019 0.000 2.439 55 I HA 0.556 4.724 4.170 -0.003 0.000 0.285 55 I C -1.449 174.709 176.117 0.068 0.000 1.021 55 I CA -0.502 60.807 61.300 0.015 0.000 1.091 55 I CB 1.567 39.553 38.000 -0.023 0.000 1.242 55 I HN 0.746 nan 8.210 nan 0.000 0.439 56 F N 7.036 126.923 119.950 -0.105 0.000 2.839 56 F HA 0.367 4.892 4.527 -0.003 0.000 0.344 56 F C -1.263 174.510 175.800 -0.046 0.000 1.242 56 F CA -0.708 57.225 58.000 -0.111 0.000 1.091 56 F CB 1.189 40.099 39.000 -0.149 0.000 1.374 56 F HN 0.009 nan 8.300 nan 0.000 0.553 57 V N 5.489 125.040 119.914 -0.604 0.000 2.326 57 V HA 0.091 4.209 4.120 -0.003 0.000 0.249 57 V C 0.165 175.724 176.094 -0.892 0.000 1.114 57 V CA -0.305 61.683 62.300 -0.521 0.000 1.028 57 V CB -0.017 31.638 31.823 -0.280 0.000 1.170 57 V HN 0.652 nan 8.190 nan 0.000 0.494 58 N N 8.351 126.596 118.700 -0.758 0.000 2.405 58 N HA 0.214 4.952 4.740 -0.003 0.000 0.260 58 N C -1.019 174.386 175.510 -0.175 0.000 1.152 58 N CA -1.810 50.901 53.050 -0.564 0.000 0.948 58 N CB 1.335 39.787 38.487 -0.058 0.000 1.111 58 N HN 0.233 nan 8.380 nan 0.000 0.485 59 P HA -0.118 nan 4.420 nan 0.000 0.230 59 P C 1.060 178.317 177.300 -0.072 0.000 1.158 59 P CA 1.097 64.148 63.100 -0.080 0.000 0.769 59 P CB 0.161 31.830 31.700 -0.052 0.000 0.807 60 M N -0.750 118.837 119.600 -0.020 0.000 2.394 60 M HA -0.066 4.412 4.480 -0.003 0.000 0.264 60 M C 1.560 177.880 176.300 0.034 0.000 1.073 60 M CA 1.136 56.417 55.300 -0.032 0.000 1.111 60 M CB -0.311 32.285 32.600 -0.007 0.000 1.401 60 M HN 0.116 nan 8.290 nan 0.000 0.448 61 Q N -0.189 119.648 119.800 0.062 0.000 2.194 61 Q HA 0.389 4.727 4.340 -0.003 0.000 0.245 61 Q C -1.052 175.144 176.000 0.327 0.000 0.993 61 Q CA -0.676 55.240 55.803 0.188 0.000 0.930 61 Q CB 0.862 29.612 28.738 0.020 0.000 1.238 61 Q HN 0.131 nan 8.270 nan 0.000 0.486 62 F N 0.840 120.976 119.950 0.311 0.000 2.410 62 F HA 0.115 4.640 4.527 -0.003 0.000 0.348 62 F C 0.531 176.336 175.800 0.010 0.000 1.106 62 F CA -0.777 57.246 58.000 0.039 0.000 1.163 62 F CB 1.095 39.974 39.000 -0.201 0.000 1.129 62 F HN 0.555 nan 8.300 nan 0.000 0.516 63 D N 4.561 125.006 120.400 0.075 0.000 2.551 63 D HA 0.053 4.691 4.640 -0.003 0.000 0.223 63 D C -0.030 176.291 176.300 0.034 0.000 1.144 63 D CA -0.369 53.654 54.000 0.038 0.000 1.025 63 D CB -0.019 40.766 40.800 -0.024 0.000 1.085 63 D HN 0.397 nan 8.370 nan 0.000 0.506 64 R N 1.573 122.098 120.500 0.042 0.000 2.590 64 R HA 0.461 4.800 4.340 -0.003 0.000 0.274 64 R C -2.157 174.157 176.300 0.023 0.000 1.061 64 R CA -1.109 54.994 56.100 0.005 0.000 1.081 64 R CB -0.554 29.718 30.300 -0.045 0.000 0.984 64 R HN 0.073 nan 8.270 nan 0.000 0.448 65 P HA 0.102 nan 4.420 nan 0.000 0.284 65 P C -1.098 176.220 177.300 0.029 0.000 1.253 65 P CA -0.382 62.728 63.100 0.017 0.000 0.800 65 P CB 0.751 32.451 31.700 -0.001 0.000 0.961 66 D N 1.471 121.898 120.400 0.044 0.000 2.264 66 D HA -0.016 4.622 4.640 -0.003 0.000 0.250 66 D C 0.721 177.020 176.300 -0.001 0.000 1.113 66 D CA -0.091 53.939 54.000 0.049 0.000 0.871 66 D CB 0.942 41.808 40.800 0.110 0.000 1.167 66 D HN 0.437 nan 8.370 nan 0.000 0.447 67 D N 3.618 124.011 120.400 -0.012 0.000 2.317 67 D HA -0.120 4.518 4.640 -0.003 0.000 0.211 67 D C 1.678 177.944 176.300 -0.057 0.000 0.966 67 D CA 0.271 54.256 54.000 -0.024 0.000 0.876 67 D CB 0.132 40.928 40.800 -0.006 0.000 0.927 67 D HN 0.405 nan 8.370 nan 0.000 0.519 68 L N 0.494 121.645 121.223 -0.119 0.000 2.395 68 L HA 0.088 4.426 4.340 -0.003 0.000 0.218 68 L C 0.707 177.459 176.870 -0.197 0.000 1.130 68 L CA 0.111 54.823 54.840 -0.213 0.000 0.826 68 L CB 0.290 42.081 42.059 -0.447 0.000 0.941 68 L HN -0.120 nan 8.230 nan 0.000 0.451 69 V N 0.426 120.263 119.914 -0.129 0.000 2.465 69 V HA 0.175 4.293 4.120 -0.003 0.000 0.279 69 V C 0.843 176.911 176.094 -0.043 0.000 1.045 69 V CA -0.131 62.149 62.300 -0.033 0.000 0.938 69 V CB 1.557 33.398 31.823 0.030 0.000 0.986 69 V HN 0.305 nan 8.190 nan 0.000 0.467 70 R N 2.757 123.245 120.500 -0.020 0.000 2.487 70 R HA 0.310 4.648 4.340 -0.003 0.000 0.272 70 R C -1.071 174.814 176.300 -0.691 0.000 0.928 70 R CA 0.080 55.986 56.100 -0.324 0.000 1.077 70 R CB 0.775 30.870 30.300 -0.342 0.000 1.265 70 R HN 0.697 nan 8.270 nan 0.000 0.537 71 Y N 1.042 121.342 120.300 -0.001 0.000 2.441 71 Y HA 0.347 4.895 4.550 -0.003 0.000 0.334 71 Y C -2.369 173.532 175.900 0.002 0.000 1.061 71 Y CA -2.718 55.382 58.100 -0.000 0.000 1.032 71 Y CB 1.463 39.923 38.460 -0.001 0.000 1.266 71 Y HN -0.117 nan 8.280 nan 0.000 0.441 72 P HA 0.409 nan 4.420 nan 0.000 0.274 72 P C -0.846 176.494 177.300 0.067 0.000 1.256 72 P CA -0.477 62.663 63.100 0.066 0.000 0.795 72 P CB 1.274 32.994 31.700 0.034 0.000 1.038 73 R N -1.028 119.494 120.500 0.037 0.000 2.828 73 R HA 0.659 4.997 4.340 -0.003 0.000 0.264 73 R C 0.095 176.398 176.300 0.005 0.000 1.022 73 R CA -0.513 55.600 56.100 0.022 0.000 1.021 73 R CB 0.768 31.074 30.300 0.010 0.000 1.163 73 R HN 0.356 nan 8.270 nan 0.000 0.494 74 T N 0.860 115.413 114.554 -0.001 0.000 2.902 74 T HA 0.179 4.527 4.350 -0.003 0.000 0.283 74 T C 1.048 175.739 174.700 -0.015 0.000 1.009 74 T CA -0.541 61.555 62.100 -0.007 0.000 1.051 74 T CB 0.868 69.732 68.868 -0.005 0.000 0.999 74 T HN 0.427 nan 8.240 nan 0.000 0.474 75 L N 3.766 124.978 121.223 -0.018 0.000 2.013 75 L HA -0.122 4.216 4.340 -0.003 0.000 0.212 75 L C 2.575 179.432 176.870 -0.021 0.000 1.073 75 L CA 2.039 56.865 54.840 -0.023 0.000 0.753 75 L CB -0.618 41.428 42.059 -0.022 0.000 0.890 75 L HN 0.816 nan 8.230 nan 0.000 0.432 76 Q N -0.942 118.847 119.800 -0.017 0.000 2.124 76 Q HA -0.275 4.063 4.340 -0.003 0.000 0.202 76 Q C 2.114 178.104 176.000 -0.017 0.000 0.977 76 Q CA 1.978 57.771 55.803 -0.016 0.000 0.850 76 Q CB -0.006 28.724 28.738 -0.014 0.000 0.901 76 Q HN 0.628 nan 8.270 nan 0.000 0.429 77 E N 0.294 120.485 120.200 -0.016 0.000 2.038 77 E HA -0.203 4.145 4.350 -0.003 0.000 0.195 77 E C 1.744 178.332 176.600 -0.020 0.000 1.000 77 E CA 1.593 57.984 56.400 -0.015 0.000 0.803 77 E CB 0.033 29.727 29.700 -0.010 0.000 0.750 77 E HN 0.350 nan 8.360 nan 0.000 0.448 78 D N -0.275 120.109 120.400 -0.027 0.000 2.133 78 D HA -0.187 4.451 4.640 -0.003 0.000 0.195 78 D C 1.999 178.278 176.300 -0.035 0.000 0.997 78 D CA 0.968 54.943 54.000 -0.042 0.000 0.840 78 D CB -0.445 40.321 40.800 -0.056 0.000 0.947 78 D HN 0.269 nan 8.370 nan 0.000 0.452 79 C N 0.695 119.978 119.300 -0.028 0.000 2.432 79 C HA -0.090 4.368 4.460 -0.003 0.000 0.277 79 C C 2.599 177.576 174.990 -0.022 0.000 1.249 79 C CA 0.400 59.404 59.018 -0.024 0.000 1.725 79 C CB -0.807 26.921 27.740 -0.021 0.000 2.028 79 C HN 0.426 nan 8.230 nan 0.000 0.477 80 E N 0.738 120.927 120.200 -0.020 0.000 2.070 80 E HA -0.263 4.085 4.350 -0.003 0.000 0.197 80 E C 2.115 178.705 176.600 -0.016 0.000 1.004 80 E CA 1.459 57.849 56.400 -0.018 0.000 0.805 80 E CB -0.151 29.540 29.700 -0.016 0.000 0.744 80 E HN 0.590 nan 8.360 nan 0.000 0.451 81 K N 0.580 120.971 120.400 -0.015 0.000 2.034 81 K HA -0.184 4.134 4.320 -0.003 0.000 0.214 81 K C 2.182 178.775 176.600 -0.012 0.000 1.051 81 K CA 1.418 57.699 56.287 -0.011 0.000 0.931 81 K CB -0.254 32.239 32.500 -0.012 0.000 0.715 81 K HN 0.096 nan 8.250 nan 0.000 0.446 82 L N 0.788 122.000 121.223 -0.017 0.000 2.083 82 L HA -0.202 4.136 4.340 -0.003 0.000 0.209 82 L C 2.360 179.220 176.870 -0.016 0.000 1.083 82 L CA 1.160 55.991 54.840 -0.015 0.000 0.752 82 L CB -0.567 41.482 42.059 -0.016 0.000 0.899 82 L HN 0.394 nan 8.230 nan 0.000 0.433 83 N N 0.344 119.032 118.700 -0.021 0.000 2.166 83 N HA -0.249 4.489 4.740 -0.003 0.000 0.186 83 N C 2.011 177.509 175.510 -0.020 0.000 1.019 83 N CA 1.041 54.076 53.050 -0.025 0.000 0.856 83 N CB 0.128 38.599 38.487 -0.027 0.000 0.993 83 N HN 0.260 nan 8.380 nan 0.000 0.426 84 K N 0.871 121.262 120.400 -0.015 0.000 2.002 84 K HA -0.124 4.194 4.320 -0.003 0.000 0.209 84 K C 1.770 178.366 176.600 -0.008 0.000 1.048 84 K CA 1.014 57.295 56.287 -0.010 0.000 0.930 84 K CB -0.019 32.477 32.500 -0.007 0.000 0.714 84 K HN -0.044 nan 8.250 nan 0.000 0.438 85 R N 1.149 121.646 120.500 -0.005 0.000 2.346 85 R HA 0.006 4.344 4.340 -0.003 0.000 0.199 85 R C -0.500 175.799 176.300 -0.002 0.000 1.015 85 R CA 0.479 56.578 56.100 -0.001 0.000 1.058 85 R CB -0.052 30.250 30.300 0.003 0.000 0.921 85 R HN 0.114 nan 8.270 nan 0.000 0.475 86 K N -0.926 119.469 120.400 -0.008 0.000 3.239 86 K HA -0.128 4.190 4.320 -0.003 0.000 0.270 86 K C -1.222 175.372 176.600 -0.009 0.000 1.083 86 K CA 0.452 56.732 56.287 -0.011 0.000 0.782 86 K CB -2.317 30.179 32.500 -0.006 0.000 1.290 86 K HN 0.052 nan 8.250 nan 0.000 0.474 87 V N 0.774 120.680 119.914 -0.014 0.000 2.532 87 V HA 0.204 4.322 4.120 -0.003 0.000 0.295 87 V C 1.546 177.620 176.094 -0.034 0.000 1.041 87 V CA -0.478 61.819 62.300 -0.004 0.000 0.926 87 V CB 1.779 33.605 31.823 0.004 0.000 0.992 87 V HN 0.270 nan 8.190 nan 0.000 0.457 88 D N 1.932 122.325 120.400 -0.012 0.000 2.197 88 D HA 0.050 4.688 4.640 -0.003 0.000 0.212 88 D C -0.475 175.611 176.300 -0.357 0.000 0.963 88 D CA 1.559 55.484 54.000 -0.125 0.000 0.864 88 D CB 0.420 41.252 40.800 0.054 0.000 1.009 88 D HN 0.535 nan 8.370 nan 0.000 0.479 89 Y N 0.012 120.301 120.300 -0.019 0.000 2.462 89 Y HA 0.412 4.961 4.550 -0.003 0.000 0.346 89 Y C -0.293 175.609 175.900 0.004 0.000 0.976 89 Y CA -0.983 57.099 58.100 -0.029 0.000 1.044 89 Y CB 2.370 40.799 38.460 -0.051 0.000 1.230 89 Y HN -0.378 nan 8.280 nan 0.000 0.455 90 V N 3.947 123.948 119.914 0.144 0.000 2.495 90 V HA 0.306 4.424 4.120 -0.003 0.000 0.298 90 V C -1.060 175.160 176.094 0.210 0.000 1.031 90 V CA -0.846 61.534 62.300 0.133 0.000 0.871 90 V CB 1.577 33.433 31.823 0.055 0.000 0.988 90 V HN 0.559 nan 8.190 nan 0.000 0.432 91 F N 4.862 124.824 119.950 0.020 0.000 2.388 91 F HA 0.767 5.293 4.527 -0.002 0.000 0.358 91 F C 0.221 176.020 175.800 -0.001 0.000 1.122 91 F CA -1.366 56.632 58.000 -0.003 0.000 1.056 91 F CB 1.241 40.227 39.000 -0.022 0.000 1.155 91 F HN 0.501 nan 8.300 nan 0.000 0.461 92 A N 8.514 131.121 122.820 -0.355 0.000 3.127 92 A HA 0.496 4.814 4.320 -0.003 0.000 0.319 92 A C -2.935 174.438 177.584 -0.352 0.000 1.104 92 A CA -1.119 50.723 52.037 -0.324 0.000 0.802 92 A CB -0.261 18.673 19.000 -0.111 0.000 1.193 92 A HN 0.471 nan 8.150 nan 0.000 0.479 93 P HA 0.514 nan 4.420 nan 0.000 0.279 93 P C 0.145 177.360 177.300 -0.142 0.000 1.252 93 P CA -0.048 62.809 63.100 -0.405 0.000 0.811 93 P CB 1.495 32.795 31.700 -0.667 0.000 1.035 94 A N 1.817 124.596 122.820 -0.067 0.000 2.287 94 A HA 0.254 4.572 4.320 -0.003 0.000 0.273 94 A C 1.639 179.279 177.584 0.094 0.000 1.091 94 A CA -0.502 51.557 52.037 0.036 0.000 0.817 94 A CB -0.248 18.760 19.000 0.014 0.000 1.069 94 A HN 0.343 nan 8.150 nan 0.000 0.492 95 V N 1.292 121.331 119.914 0.209 0.000 2.287 95 V HA -0.238 3.880 4.120 -0.003 0.000 0.248 95 V C 2.511 178.690 176.094 0.142 0.000 1.053 95 V CA 2.441 64.910 62.300 0.282 0.000 1.027 95 V CB -1.054 30.911 31.823 0.235 0.000 0.646 95 V HN 0.982 nan 8.190 nan 0.000 0.447 96 E N 0.706 120.952 120.200 0.077 0.000 2.267 96 E HA -0.290 4.058 4.350 -0.003 0.000 0.197 96 E C 1.933 178.518 176.600 -0.026 0.000 0.998 96 E CA 1.623 58.041 56.400 0.030 0.000 0.830 96 E CB -0.295 29.411 29.700 0.010 0.000 0.751 96 E HN 0.759 nan 8.360 nan 0.000 0.491 97 E N 0.805 120.975 120.200 -0.050 0.000 2.076 97 E HA -0.064 4.284 4.350 -0.003 0.000 0.190 97 E C 1.995 178.504 176.600 -0.152 0.000 0.979 97 E CA 0.597 56.944 56.400 -0.088 0.000 0.807 97 E CB 0.013 29.659 29.700 -0.089 0.000 0.761 97 E HN 0.118 nan 8.360 nan 0.000 0.454 98 I N 0.011 120.419 120.570 -0.270 0.000 2.277 98 I HA -0.154 4.014 4.170 -0.003 0.000 0.243 98 I C 0.507 176.339 176.117 -0.475 0.000 1.094 98 I CA 1.206 62.200 61.300 -0.510 0.000 1.393 98 I CB -0.600 36.814 38.000 -0.978 0.000 1.078 98 I HN 0.132 nan 8.210 nan 0.000 0.417 99 Y N 1.933 122.243 120.300 0.015 0.000 2.726 99 Y HA 0.280 4.828 4.550 -0.003 0.000 0.367 99 Y C -1.385 174.499 175.900 -0.026 0.000 1.038 99 Y CA -1.808 56.311 58.100 0.032 0.000 1.174 99 Y CB 0.079 38.590 38.460 0.084 0.000 1.265 99 Y HN 0.074 nan 8.280 nan 0.000 0.622 100 P HA -0.193 nan 4.420 nan 0.000 0.223 100 P C 0.353 177.461 177.300 -0.320 0.000 1.144 100 P CA 1.764 64.735 63.100 -0.216 0.000 0.783 100 P CB 0.393 31.857 31.700 -0.393 0.000 0.771 101 H N -1.334 117.803 119.070 0.112 0.000 2.567 101 H HA 0.393 4.947 4.556 -0.004 0.000 0.267 101 H C 1.387 176.761 175.328 0.076 0.000 1.148 101 H CA 0.535 56.631 56.048 0.081 0.000 1.031 101 H CB 0.492 30.295 29.762 0.068 0.000 1.691 101 H HN 0.170 nan 8.280 nan 0.000 0.588 102 G N 0.710 109.610 108.800 0.168 0.000 2.660 102 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.215 102 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.215 102 G C 0.447 175.361 174.900 0.022 0.000 1.345 102 G CA -0.132 45.022 45.100 0.089 0.000 0.877 102 G HN 0.260 nan 8.290 nan 0.000 0.549 103 L N -0.229 120.955 121.223 -0.064 0.000 2.609 103 L HA 0.191 4.529 4.340 -0.003 0.000 0.230 103 L C 2.517 179.358 176.870 -0.049 0.000 1.087 103 L CA 0.887 55.634 54.840 -0.154 0.000 0.874 103 L CB -0.020 41.914 42.059 -0.207 0.000 1.114 103 L HN 0.693 nan 8.230 nan 0.000 0.488 104 E N 1.502 121.699 120.200 -0.006 0.000 2.033 104 E HA -0.187 4.161 4.350 -0.003 0.000 0.199 104 E C 1.923 178.549 176.600 0.043 0.000 1.011 104 E CA 1.875 58.284 56.400 0.014 0.000 0.815 104 E CB -0.324 29.387 29.700 0.019 0.000 0.755 104 E HN 0.281 nan 8.360 nan 0.000 0.451 105 G N -0.434 108.401 108.800 0.058 0.000 3.141 105 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.218 105 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.218 105 G C 0.197 175.158 174.900 0.101 0.000 1.170 105 G CA -0.046 45.097 45.100 0.072 0.000 0.769 105 G HN 0.197 nan 8.290 nan 0.000 0.546 106 Q N 1.645 121.511 119.800 0.110 0.000 2.255 106 Q HA 0.216 4.554 4.340 -0.003 0.000 0.280 106 Q C 0.343 176.455 176.000 0.187 0.000 1.068 106 Q CA 0.057 55.950 55.803 0.149 0.000 0.911 106 Q CB -0.003 28.805 28.738 0.117 0.000 1.157 106 Q HN 0.072 nan 8.270 nan 0.000 0.380 107 T N 5.423 120.062 114.554 0.142 0.000 2.946 107 T HA 0.163 4.511 4.350 -0.003 0.000 0.312 107 T C -0.602 174.195 174.700 0.161 0.000 1.066 107 T CA 0.683 62.828 62.100 0.075 0.000 1.138 107 T CB -0.228 68.663 68.868 0.038 0.000 1.014 107 T HN 0.543 nan 8.240 nan 0.000 0.544 108 Y N -0.376 119.962 120.300 0.064 0.000 2.576 108 Y HA 0.760 5.308 4.550 -0.003 0.000 0.346 108 Y C -1.139 174.798 175.900 0.062 0.000 1.018 108 Y CA -1.655 56.485 58.100 0.066 0.000 1.050 108 Y CB 0.891 39.381 38.460 0.051 0.000 1.280 108 Y HN 0.282 nan 8.280 nan 0.000 0.474 109 V N 2.102 122.173 119.914 0.262 0.000 2.459 109 V HA 0.397 4.515 4.120 -0.003 0.000 0.295 109 V C -1.249 174.986 176.094 0.235 0.000 1.029 109 V CA -0.411 61.995 62.300 0.177 0.000 0.874 109 V CB 1.377 33.282 31.823 0.137 0.000 0.985 109 V HN 0.865 nan 8.190 nan 0.000 0.438 110 D N 2.943 123.468 120.400 0.208 0.000 2.696 110 D HA 0.540 5.178 4.640 -0.003 0.000 0.251 110 D C -1.049 175.314 176.300 0.105 0.000 1.188 110 D CA -0.250 53.862 54.000 0.186 0.000 0.876 110 D CB 2.101 43.065 40.800 0.272 0.000 1.334 110 D HN 0.296 nan 8.370 nan 0.000 0.540 111 V N 5.645 125.600 119.914 0.068 0.000 2.333 111 V HA 0.411 4.529 4.120 -0.003 0.000 0.274 111 V C -1.984 174.121 176.094 0.019 0.000 1.028 111 V CA -1.618 60.700 62.300 0.029 0.000 0.851 111 V CB 0.964 32.780 31.823 -0.012 0.000 1.000 111 V HN 0.562 nan 8.190 nan 0.000 0.456 112 P HA 0.248 nan 4.420 nan 0.000 0.269 112 P C 1.137 178.438 177.300 0.002 0.000 1.209 112 P CA 1.343 64.455 63.100 0.021 0.000 0.776 112 P CB 0.869 32.583 31.700 0.022 0.000 0.876 113 G N 1.834 110.637 108.800 0.005 0.000 5.266 113 G HA2 -0.395 3.563 3.960 -0.003 0.000 0.262 113 G HA3 -0.395 3.563 3.960 -0.003 0.000 0.262 113 G C 1.153 176.036 174.900 -0.028 0.000 1.359 113 G CA 0.495 45.592 45.100 -0.006 0.000 0.955 113 G HN 0.491 nan 8.290 nan 0.000 0.754 114 L N 2.050 123.235 121.223 -0.063 0.000 2.127 114 L HA -0.068 4.270 4.340 -0.003 0.000 0.211 114 L C 3.176 179.925 176.870 -0.201 0.000 1.089 114 L CA 2.372 57.127 54.840 -0.142 0.000 0.757 114 L CB -0.574 41.378 42.059 -0.179 0.000 0.899 114 L HN 0.673 nan 8.230 nan 0.000 0.434 115 S N -1.863 113.785 115.700 -0.087 0.000 2.489 115 S HA -0.084 4.384 4.470 -0.003 0.000 0.228 115 S C 1.741 176.461 174.600 0.201 0.000 0.995 115 S CA 0.894 59.134 58.200 0.067 0.000 0.934 115 S CB -0.388 62.886 63.200 0.123 0.000 0.771 115 S HN 0.563 nan 8.310 nan 0.000 0.522 116 T N -0.450 114.156 114.554 0.087 0.000 3.010 116 T HA 0.391 4.739 4.350 -0.003 0.000 0.257 116 T C 0.708 175.443 174.700 0.059 0.000 1.020 116 T CA -0.393 61.752 62.100 0.075 0.000 0.938 116 T CB -0.302 68.591 68.868 0.041 0.000 1.049 116 T HN 0.572 nan 8.240 nan 0.000 0.522 117 M N 1.902 121.530 119.600 0.047 0.000 2.283 117 M HA 0.487 4.965 4.480 -0.003 0.000 0.314 117 M C 0.431 176.768 176.300 0.061 0.000 1.153 117 M CA -0.618 54.704 55.300 0.037 0.000 1.084 117 M CB 0.829 33.438 32.600 0.016 0.000 1.468 117 M HN 0.127 nan 8.290 nan 0.000 0.474 118 L N -1.576 119.678 121.223 0.051 0.000 5.518 118 L HA -0.389 3.949 4.340 -0.003 0.000 0.053 118 L C 1.685 178.591 176.870 0.060 0.000 2.611 118 L CA 1.698 56.574 54.840 0.059 0.000 1.669 118 L CB -1.747 40.356 42.059 0.072 0.000 2.768 118 L HN 1.002 nan 8.230 nan 0.000 0.930 119 E N 0.706 120.954 120.200 0.081 0.000 2.273 119 E HA -0.167 4.181 4.350 -0.003 0.000 0.198 119 E C 1.741 178.334 176.600 -0.011 0.000 1.002 119 E CA 1.489 57.908 56.400 0.032 0.000 0.828 119 E CB -0.193 29.534 29.700 0.045 0.000 0.747 119 E HN 0.672 nan 8.360 nan 0.000 0.491 120 G N -0.129 108.780 108.800 0.182 0.000 2.603 120 G HA2 0.017 3.975 3.960 -0.003 0.000 0.214 120 G HA3 0.017 3.975 3.960 -0.003 0.000 0.214 120 G C 1.539 176.441 174.900 0.003 0.000 1.140 120 G CA 0.405 45.582 45.100 0.128 0.000 0.800 120 G HN 0.346 nan 8.290 nan 0.000 0.533 121 A N 1.472 124.301 122.820 0.014 0.000 1.940 121 A HA -0.031 4.287 4.320 -0.003 0.000 0.219 121 A C 2.515 180.069 177.584 -0.051 0.000 1.176 121 A CA 2.353 54.385 52.037 -0.009 0.000 0.631 121 A CB -0.430 18.572 19.000 0.003 0.000 0.814 121 A HN 0.590 nan 8.150 nan 0.000 0.446 122 S N -1.058 114.588 115.700 -0.090 0.000 2.556 122 S HA 0.202 4.670 4.470 -0.003 0.000 0.216 122 S C 0.610 175.089 174.600 -0.201 0.000 0.970 122 S CA -0.428 57.706 58.200 -0.110 0.000 0.912 122 S CB 0.112 63.258 63.200 -0.091 0.000 0.790 122 S HN 0.564 nan 8.310 nan 0.000 0.504 123 R N 2.098 122.401 120.500 -0.328 0.000 2.585 123 R HA 0.345 4.683 4.340 -0.003 0.000 0.278 123 R C -3.238 172.800 176.300 -0.436 0.000 1.663 123 R CA -1.745 53.966 56.100 -0.649 0.000 1.592 123 R CB 0.501 29.998 30.300 -1.338 0.000 1.200 123 R HN 0.195 nan 8.270 nan 0.000 0.611 124 P HA -0.064 nan 4.420 nan 0.000 0.266 124 P C 0.960 178.259 177.300 -0.002 0.000 1.195 124 P CA 1.089 64.158 63.100 -0.051 0.000 0.768 124 P CB 0.815 32.517 31.700 0.003 0.000 0.838 125 G N 1.674 110.470 108.800 -0.006 0.000 2.212 125 G HA2 -0.364 3.594 3.960 -0.003 0.000 0.266 125 G HA3 -0.364 3.594 3.960 -0.003 0.000 0.266 125 G C 1.029 175.958 174.900 0.047 0.000 0.978 125 G CA 0.936 46.047 45.100 0.018 0.000 0.632 125 G HN 0.717 nan 8.290 nan 0.000 0.537 126 H N -0.222 118.751 119.070 -0.161 0.000 2.276 126 H HA 0.140 4.694 4.556 -0.003 0.000 0.301 126 H C 2.320 177.539 175.328 -0.182 0.000 1.073 126 H CA 2.213 58.115 56.048 -0.244 0.000 1.311 126 H CB -0.504 28.780 29.762 -0.796 0.000 1.379 126 H HN 0.440 nan 8.280 nan 0.000 0.494 127 F N 0.380 120.186 119.950 -0.241 0.000 2.293 127 F HA -0.071 4.454 4.527 -0.003 0.000 0.300 127 F C 2.884 178.595 175.800 -0.148 0.000 1.086 127 F CA 0.914 58.759 58.000 -0.259 0.000 1.375 127 F CB -0.120 38.813 39.000 -0.112 0.000 1.045 127 F HN 0.189 nan 8.300 nan 0.000 0.516 128 R N 0.940 121.483 120.500 0.072 0.000 2.120 128 R HA -0.103 4.235 4.340 -0.003 0.000 0.234 128 R C 2.299 178.623 176.300 0.039 0.000 1.123 128 R CA 1.500 57.631 56.100 0.051 0.000 0.975 128 R CB -0.807 29.480 30.300 -0.023 0.000 0.866 128 R HN 0.296 nan 8.270 nan 0.000 0.446 129 G N 0.008 108.803 108.800 -0.008 0.000 2.448 129 G HA2 -0.113 3.845 3.960 -0.003 0.000 0.218 129 G HA3 -0.113 3.845 3.960 -0.003 0.000 0.218 129 G C 1.293 176.211 174.900 0.030 0.000 1.135 129 G CA 0.537 45.650 45.100 0.021 0.000 0.784 129 G HN 0.209 nan 8.290 nan 0.000 0.543 130 V N 1.679 121.575 119.914 -0.030 0.000 2.346 130 V HA -0.139 3.979 4.120 -0.003 0.000 0.244 130 V C 3.203 179.314 176.094 0.028 0.000 1.037 130 V CA 2.169 64.470 62.300 0.002 0.000 1.029 130 V CB -0.205 31.622 31.823 0.007 0.000 0.663 130 V HN 0.552 nan 8.190 nan 0.000 0.454 131 S N -0.473 115.246 115.700 0.032 0.000 2.382 131 S HA -0.209 4.259 4.470 -0.003 0.000 0.228 131 S C 1.930 176.549 174.600 0.032 0.000 1.027 131 S CA 1.861 60.068 58.200 0.012 0.000 0.991 131 S CB -0.797 62.426 63.200 0.039 0.000 0.823 131 S HN 0.564 nan 8.310 nan 0.000 0.469 132 T N 2.659 117.267 114.554 0.090 0.000 2.643 132 T HA 0.026 4.374 4.350 -0.003 0.000 0.264 132 T C 1.721 176.491 174.700 0.117 0.000 1.045 132 T CA 1.380 63.560 62.100 0.134 0.000 1.155 132 T CB -0.543 68.442 68.868 0.194 0.000 0.863 132 T HN 0.329 nan 8.240 nan 0.000 0.420 133 I N 1.232 121.887 120.570 0.141 0.000 2.286 133 I HA -0.100 4.068 4.170 -0.003 0.000 0.248 133 I C 2.256 178.381 176.117 0.013 0.000 1.115 133 I CA 0.978 62.363 61.300 0.141 0.000 1.392 133 I CB -0.441 37.707 38.000 0.246 0.000 1.065 133 I HN 0.033 nan 8.210 nan 0.000 0.418 134 V N -0.267 119.603 119.914 -0.074 0.000 2.358 134 V HA -0.251 3.868 4.120 -0.003 0.000 0.246 134 V C 2.684 178.434 176.094 -0.572 0.000 1.047 134 V CA 1.927 64.030 62.300 -0.328 0.000 1.035 134 V CB -0.980 30.629 31.823 -0.357 0.000 0.658 134 V HN 0.614 nan 8.190 nan 0.000 0.452 135 S N -0.173 115.352 115.700 -0.291 0.000 2.368 135 S HA -0.293 4.175 4.470 -0.003 0.000 0.225 135 S C 2.152 176.767 174.600 0.026 0.000 1.030 135 S CA 2.200 60.334 58.200 -0.110 0.000 0.999 135 S CB -0.298 62.983 63.200 0.136 0.000 0.844 135 S HN 0.627 nan 8.310 nan 0.000 0.459 136 K N 0.416 120.832 120.400 0.028 0.000 2.026 136 K HA -0.015 4.303 4.320 -0.003 0.000 0.208 136 K C 2.227 178.850 176.600 0.039 0.000 1.048 136 K CA 1.487 57.807 56.287 0.054 0.000 0.929 136 K CB -0.367 32.161 32.500 0.046 0.000 0.713 136 K HN 0.445 nan 8.250 nan 0.000 0.439 137 L N 0.296 121.523 121.223 0.007 0.000 2.042 137 L HA -0.194 4.144 4.340 -0.003 0.000 0.210 137 L C 2.447 179.414 176.870 0.161 0.000 1.076 137 L CA 1.530 56.401 54.840 0.052 0.000 0.749 137 L CB -0.527 41.563 42.059 0.051 0.000 0.893 137 L HN 0.262 nan 8.230 nan 0.000 0.432 138 F N 0.328 120.237 119.950 -0.069 0.000 2.095 138 F HA -0.279 4.247 4.527 -0.002 0.000 0.298 138 F C 2.390 178.169 175.800 -0.034 0.000 1.104 138 F CA 0.812 58.727 58.000 -0.143 0.000 1.232 138 F CB -0.252 38.461 39.000 -0.478 0.000 0.987 138 F HN 0.297 nan 8.300 nan 0.000 0.475 139 N N 0.301 119.144 118.700 0.238 0.000 2.270 139 N HA -0.099 4.639 4.740 -0.003 0.000 0.181 139 N C 1.858 177.413 175.510 0.075 0.000 1.016 139 N CA 0.547 53.706 53.050 0.182 0.000 0.870 139 N CB -0.421 38.175 38.487 0.181 0.000 0.979 139 N HN 0.297 nan 8.380 nan 0.000 0.431 140 L N 0.130 121.375 121.223 0.036 0.000 2.131 140 L HA 0.115 4.453 4.340 -0.003 0.000 0.206 140 L C 1.488 178.309 176.870 -0.082 0.000 1.087 140 L CA 1.027 55.839 54.840 -0.046 0.000 0.767 140 L CB 0.057 42.060 42.059 -0.094 0.000 0.917 140 L HN 0.073 nan 8.230 nan 0.000 0.441 141 I N -1.355 119.187 120.570 -0.046 0.000 3.616 141 I HA -0.043 4.125 4.170 -0.003 0.000 0.296 141 I C 0.293 176.379 176.117 -0.053 0.000 1.226 141 I CA 0.075 61.329 61.300 -0.078 0.000 1.394 141 I CB 0.367 38.327 38.000 -0.067 0.000 1.171 141 I HN 0.202 nan 8.210 nan 0.000 0.442 142 Q N 1.395 121.183 119.800 -0.020 0.000 2.454 142 Q HA -0.145 4.193 4.340 -0.003 0.000 0.341 142 Q C -2.257 173.697 176.000 -0.076 0.000 1.437 142 Q CA -0.295 55.483 55.803 -0.042 0.000 0.935 142 Q CB -1.608 27.116 28.738 -0.023 0.000 1.164 142 Q HN 0.330 nan 8.270 nan 0.000 0.373 143 P HA 0.052 nan 4.420 nan 0.000 0.276 143 P C -0.019 177.208 177.300 -0.122 0.000 1.244 143 P CA -0.205 62.834 63.100 -0.102 0.000 0.801 143 P CB 0.811 32.455 31.700 -0.093 0.000 1.006 144 D N 0.034 120.387 120.400 -0.078 0.000 2.240 144 D HA 0.044 4.683 4.640 -0.003 0.000 0.206 144 D C 0.801 177.060 176.300 -0.068 0.000 0.963 144 D CA 1.064 55.024 54.000 -0.067 0.000 0.863 144 D CB 0.554 41.332 40.800 -0.037 0.000 0.973 144 D HN 0.371 nan 8.370 nan 0.000 0.501 145 I N -1.613 118.927 120.570 -0.051 0.000 2.934 145 I HA 0.630 4.798 4.170 -0.003 0.000 0.306 145 I C -1.995 174.125 176.117 0.005 0.000 1.110 145 I CA -0.866 60.421 61.300 -0.021 0.000 1.019 145 I CB 2.585 40.590 38.000 0.008 0.000 1.227 145 I HN -0.225 nan 8.210 nan 0.000 0.434 146 A N 4.646 127.513 122.820 0.079 0.000 2.427 146 A HA 0.688 5.006 4.320 -0.003 0.000 0.298 146 A C -1.333 176.382 177.584 0.220 0.000 1.036 146 A CA -0.420 51.718 52.037 0.169 0.000 0.701 146 A CB 1.017 20.250 19.000 0.389 0.000 1.250 146 A HN 0.793 nan 8.150 nan 0.000 0.412 147 C N 1.644 120.953 119.300 0.016 0.000 2.329 147 C HA 0.854 5.312 4.460 -0.003 0.000 0.329 147 C C -0.567 174.271 174.990 -0.254 0.000 1.275 147 C CA -0.421 58.605 59.018 0.012 0.000 1.726 147 C CB -0.783 26.945 27.740 -0.021 0.000 2.291 147 C HN 0.633 nan 8.230 nan 0.000 0.514 148 F N 0.738 120.724 119.950 0.059 0.000 2.576 148 F HA 0.634 5.158 4.527 -0.004 0.000 0.313 148 F C 0.741 176.564 175.800 0.038 0.000 1.078 148 F CA -0.346 57.685 58.000 0.052 0.000 0.921 148 F CB 1.302 40.339 39.000 0.060 0.000 1.232 148 F HN 0.730 nan 8.300 nan 0.000 0.459 149 G N 0.665 109.576 108.800 0.185 0.000 2.395 149 G HA2 0.276 4.234 3.960 -0.003 0.000 0.283 149 G HA3 0.276 4.234 3.960 -0.003 0.000 0.283 149 G C 0.360 175.347 174.900 0.145 0.000 1.178 149 G CA -0.342 44.823 45.100 0.108 0.000 0.837 149 G HN 0.831 nan 8.290 nan 0.000 0.518 150 E N 0.546 120.819 120.200 0.121 0.000 2.265 150 E HA -0.145 4.204 4.350 -0.003 0.000 0.196 150 E C 2.184 178.883 176.600 0.165 0.000 0.996 150 E CA 0.674 57.156 56.400 0.135 0.000 0.832 150 E CB 0.177 29.941 29.700 0.105 0.000 0.756 150 E HN 0.642 nan 8.360 nan 0.000 0.491 151 K N 1.334 121.817 120.400 0.139 0.000 1.991 151 K HA -0.154 4.164 4.320 -0.003 0.000 0.212 151 K C 0.004 176.732 176.600 0.212 0.000 1.049 151 K CA 1.397 57.780 56.287 0.159 0.000 0.932 151 K CB -0.045 32.522 32.500 0.112 0.000 0.717 151 K HN -0.056 nan 8.250 nan 0.000 0.441 152 D N 1.499 121.989 120.400 0.151 0.000 2.541 152 D HA 0.017 4.655 4.640 -0.003 0.000 0.231 152 D C 0.750 177.086 176.300 0.060 0.000 1.163 152 D CA -0.027 54.027 54.000 0.090 0.000 1.077 152 D CB -0.264 40.602 40.800 0.110 0.000 1.110 152 D HN 0.295 nan 8.370 nan 0.000 0.499 153 F N 0.285 120.269 119.950 0.057 0.000 2.206 153 F HA -0.088 4.437 4.527 -0.004 0.000 0.298 153 F C 2.043 177.833 175.800 -0.017 0.000 1.090 153 F CA 0.574 58.587 58.000 0.022 0.000 1.323 153 F CB -0.372 38.636 39.000 0.013 0.000 1.028 153 F HN 0.144 nan 8.300 nan 0.000 0.492 154 Q N 0.376 119.665 119.800 -0.852 0.000 2.135 154 Q HA -0.261 4.077 4.340 -0.003 0.000 0.204 154 Q C 2.485 178.248 176.000 -0.394 0.000 0.981 154 Q CA 1.855 57.322 55.803 -0.560 0.000 0.856 154 Q CB -0.282 28.085 28.738 -0.619 0.000 0.902 154 Q HN 0.693 nan 8.270 nan 0.000 0.425 155 Q N -0.216 119.444 119.800 -0.233 0.000 2.119 155 Q HA -0.173 4.165 4.340 -0.003 0.000 0.201 155 Q C 2.062 177.946 176.000 -0.194 0.000 0.972 155 Q CA 1.104 56.831 55.803 -0.128 0.000 0.847 155 Q CB 0.026 28.811 28.738 0.079 0.000 0.903 155 Q HN 0.376 nan 8.270 nan 0.000 0.433 156 L N -0.069 121.073 121.223 -0.135 0.000 2.156 156 L HA 0.015 4.353 4.340 -0.003 0.000 0.208 156 L C 1.981 178.760 176.870 -0.150 0.000 1.095 156 L CA 1.761 56.508 54.840 -0.156 0.000 0.770 156 L CB -0.397 41.661 42.059 -0.001 0.000 0.914 156 L HN 0.119 nan 8.230 nan 0.000 0.439 157 A N -0.616 122.136 122.820 -0.114 0.000 1.930 157 A HA -0.108 4.210 4.320 -0.003 0.000 0.215 157 A C 2.227 179.723 177.584 -0.145 0.000 1.176 157 A CA 1.474 53.455 52.037 -0.094 0.000 0.632 157 A CB -0.855 18.115 19.000 -0.050 0.000 0.819 157 A HN 0.477 nan 8.150 nan 0.000 0.445 158 L N -0.184 120.905 121.223 -0.223 0.000 2.046 158 L HA -0.151 4.187 4.340 -0.003 0.000 0.208 158 L C 2.024 178.791 176.870 -0.171 0.000 1.077 158 L CA 1.646 56.348 54.840 -0.229 0.000 0.747 158 L CB -0.213 41.636 42.059 -0.351 0.000 0.896 158 L HN 0.307 nan 8.230 nan 0.000 0.432 159 I N -0.385 120.045 120.570 -0.234 0.000 2.394 159 I HA -0.196 3.973 4.170 -0.003 0.000 0.251 159 I C 2.664 178.704 176.117 -0.129 0.000 1.136 159 I CA 1.223 62.377 61.300 -0.243 0.000 1.425 159 I CB -1.328 36.343 38.000 -0.549 0.000 1.079 159 I HN 0.352 nan 8.210 nan 0.000 0.425 160 R N 0.566 120.990 120.500 -0.127 0.000 2.073 160 R HA -0.139 4.199 4.340 -0.003 0.000 0.234 160 R C 2.338 178.633 176.300 -0.008 0.000 1.134 160 R CA 0.961 57.032 56.100 -0.048 0.000 0.952 160 R CB -0.232 30.042 30.300 -0.043 0.000 0.850 160 R HN 0.229 nan 8.270 nan 0.000 0.433 161 K N 0.974 121.358 120.400 -0.027 0.000 2.063 161 K HA -0.169 4.149 4.320 -0.003 0.000 0.208 161 K C 2.048 178.663 176.600 0.025 0.000 1.048 161 K CA 1.383 57.666 56.287 -0.008 0.000 0.928 161 K CB -0.132 32.350 32.500 -0.030 0.000 0.713 161 K HN 0.177 nan 8.250 nan 0.000 0.442 162 M N 0.581 120.201 119.600 0.034 0.000 2.117 162 M HA -0.167 4.311 4.480 -0.003 0.000 0.262 162 M C 1.894 178.306 176.300 0.188 0.000 1.065 162 M CA 1.414 56.773 55.300 0.099 0.000 1.114 162 M CB 0.020 32.678 32.600 0.096 0.000 1.361 162 M HN -0.102 nan 8.290 nan 0.000 0.408 163 V N 0.968 121.000 119.914 0.196 0.000 2.407 163 V HA -0.252 3.866 4.120 -0.003 0.000 0.248 163 V C 2.690 178.883 176.094 0.164 0.000 1.055 163 V CA 1.912 64.374 62.300 0.270 0.000 1.049 163 V CB -1.454 30.485 31.823 0.193 0.000 0.662 163 V HN 0.659 nan 8.190 nan 0.000 0.455 164 A N -0.098 122.776 122.820 0.091 0.000 1.854 164 A HA -0.204 4.114 4.320 -0.003 0.000 0.214 164 A C 2.005 179.611 177.584 0.036 0.000 1.192 164 A CA 1.859 53.927 52.037 0.051 0.000 0.611 164 A CB -0.665 18.353 19.000 0.030 0.000 0.832 164 A HN 0.501 nan 8.150 nan 0.000 0.442 165 D N -0.666 119.757 120.400 0.038 0.000 2.144 165 D HA -0.096 4.542 4.640 -0.003 0.000 0.199 165 D C 1.537 177.839 176.300 0.003 0.000 0.984 165 D CA 1.138 55.150 54.000 0.020 0.000 0.834 165 D CB -0.158 40.658 40.800 0.026 0.000 0.955 165 D HN 0.239 nan 8.370 nan 0.000 0.465 166 M N -0.293 119.315 119.600 0.015 0.000 2.428 166 M HA 0.150 4.628 4.480 -0.003 0.000 0.239 166 M C 0.164 176.350 176.300 -0.191 0.000 1.121 166 M CA -0.054 55.199 55.300 -0.078 0.000 1.019 166 M CB -0.320 32.245 32.600 -0.057 0.000 1.485 166 M HN -0.250 nan 8.290 nan 0.000 0.484 167 S N 0.749 116.401 115.700 -0.080 0.000 3.706 167 S HA -0.180 4.288 4.470 -0.003 0.000 0.363 167 S C -0.506 174.025 174.600 -0.114 0.000 0.999 167 S CA 0.310 58.463 58.200 -0.078 0.000 1.143 167 S CB -1.939 61.206 63.200 -0.091 0.000 0.902 167 S HN 0.426 nan 8.310 nan 0.000 0.476 168 Y N 1.142 121.452 120.300 0.017 0.000 2.335 168 Y HA 0.311 4.859 4.550 -0.003 0.000 0.331 168 Y C 0.903 176.772 175.900 -0.051 0.000 1.094 168 Y CA -0.944 57.149 58.100 -0.012 0.000 1.253 168 Y CB 0.581 39.045 38.460 0.007 0.000 1.203 168 Y HN 0.159 nan 8.280 nan 0.000 0.508 169 D N 4.581 125.043 120.400 0.104 0.000 2.845 169 D HA 0.226 4.864 4.640 -0.003 0.000 0.235 169 D C -0.818 175.469 176.300 -0.022 0.000 1.158 169 D CA 0.275 54.291 54.000 0.027 0.000 0.990 169 D CB -0.786 40.019 40.800 0.008 0.000 1.094 169 D HN 0.370 nan 8.370 nan 0.000 0.486 170 I N 0.553 121.092 120.570 -0.051 0.000 2.509 170 I HA 0.252 4.420 4.170 -0.003 0.000 0.293 170 I C 0.333 176.407 176.117 -0.071 0.000 1.020 170 I CA -1.126 60.086 61.300 -0.147 0.000 1.088 170 I CB 2.306 40.045 38.000 -0.434 0.000 1.267 170 I HN -0.044 nan 8.210 nan 0.000 0.430 171 E N 6.167 126.339 120.200 -0.047 0.000 2.180 171 E HA 0.246 4.595 4.350 -0.003 0.000 0.283 171 E C -0.907 175.714 176.600 0.035 0.000 1.061 171 E CA -0.574 55.825 56.400 -0.001 0.000 0.861 171 E CB 0.774 30.478 29.700 0.006 0.000 1.056 171 E HN 0.327 nan 8.360 nan 0.000 0.407 172 I N 6.046 126.651 120.570 0.059 0.000 2.297 172 I HA 0.133 4.301 4.170 -0.003 0.000 0.291 172 I C -0.330 175.857 176.117 0.116 0.000 1.033 172 I CA -0.548 60.823 61.300 0.118 0.000 1.253 172 I CB 0.972 39.015 38.000 0.072 0.000 1.396 172 I HN 0.303 nan 8.210 nan 0.000 0.476 173 V N 6.218 126.227 119.914 0.159 0.000 2.333 173 V HA 0.434 4.552 4.120 -0.003 0.000 0.274 173 V C 0.907 177.096 176.094 0.159 0.000 1.028 173 V CA -0.643 61.732 62.300 0.125 0.000 0.851 173 V CB 1.236 33.119 31.823 0.100 0.000 1.000 173 V HN 0.877 nan 8.190 nan 0.000 0.456 174 G N 4.118 112.993 108.800 0.125 0.000 2.355 174 G HA2 0.478 4.436 3.960 -0.003 0.000 0.276 174 G HA3 0.478 4.436 3.960 -0.003 0.000 0.276 174 G C -0.543 174.419 174.900 0.103 0.000 1.198 174 G CA -0.217 44.962 45.100 0.132 0.000 0.876 174 G HN 0.528 nan 8.290 nan 0.000 0.478 175 V N 5.705 125.682 119.914 0.104 0.000 2.370 175 V HA 0.298 4.416 4.120 -0.003 0.000 0.279 175 V C -1.872 174.260 176.094 0.063 0.000 1.029 175 V CA -1.594 60.748 62.300 0.070 0.000 0.870 175 V CB 1.820 33.674 31.823 0.051 0.000 0.984 175 V HN 0.611 nan 8.190 nan 0.000 0.451 176 P HA 0.273 nan 4.420 nan 0.000 0.272 176 P C 0.101 177.425 177.300 0.040 0.000 1.223 176 P CA -0.322 62.811 63.100 0.054 0.000 0.784 176 P CB 0.660 32.393 31.700 0.054 0.000 0.923 177 I N 1.617 122.212 120.570 0.041 0.000 2.948 177 I HA -0.078 4.090 4.170 -0.003 0.000 0.290 177 I C 0.989 177.109 176.117 0.006 0.000 1.226 177 I CA 0.349 61.666 61.300 0.027 0.000 1.413 177 I CB 0.069 38.089 38.000 0.032 0.000 1.352 177 I HN 0.174 nan 8.210 nan 0.000 0.597 178 I N 6.016 126.591 120.570 0.008 0.000 2.529 178 I HA 0.194 4.362 4.170 -0.003 0.000 0.284 178 I C 0.238 176.337 176.117 -0.030 0.000 1.082 178 I CA 0.065 61.363 61.300 -0.004 0.000 1.406 178 I CB 0.214 38.225 38.000 0.018 0.000 1.405 178 I HN 0.538 nan 8.210 nan 0.000 0.548 179 R N 4.085 124.548 120.500 -0.061 0.000 2.744 179 R HA 0.659 4.997 4.340 -0.003 0.000 0.279 179 R C -0.583 175.667 176.300 -0.084 0.000 0.977 179 R CA -0.886 55.151 56.100 -0.106 0.000 0.906 179 R CB 2.039 32.203 30.300 -0.226 0.000 1.197 179 R HN 0.741 nan 8.270 nan 0.000 0.463 180 A N 1.684 124.460 122.820 -0.073 0.000 2.492 180 A HA -0.016 4.302 4.320 -0.003 0.000 0.236 180 A C 1.009 178.556 177.584 -0.061 0.000 1.078 180 A CA 0.096 52.103 52.037 -0.050 0.000 0.773 180 A CB 0.249 19.230 19.000 -0.032 0.000 1.023 180 A HN 0.802 nan 8.150 nan 0.000 0.504 181 K N 0.334 120.714 120.400 -0.033 0.000 2.127 181 K HA -0.196 4.122 4.320 -0.003 0.000 0.208 181 K C 1.073 177.658 176.600 -0.025 0.000 1.047 181 K CA 2.304 58.576 56.287 -0.024 0.000 0.927 181 K CB -0.090 32.405 32.500 -0.008 0.000 0.716 181 K HN 0.872 nan 8.250 nan 0.000 0.450 182 D N -2.682 117.705 120.400 -0.022 0.000 2.339 182 D HA 0.104 4.742 4.640 -0.003 0.000 0.217 182 D C 1.130 177.420 176.300 -0.017 0.000 1.050 182 D CA 0.786 54.786 54.000 0.000 0.000 0.856 182 D CB 0.389 41.201 40.800 0.021 0.000 0.922 182 D HN 0.282 nan 8.370 nan 0.000 0.518 183 G N 0.025 108.743 108.800 -0.138 0.000 2.391 183 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.204 183 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.204 183 G C -0.047 174.627 174.900 -0.376 0.000 1.012 183 G CA -0.151 44.713 45.100 -0.394 0.000 0.651 183 G HN 0.401 nan 8.290 nan 0.000 0.494 184 L N 2.821 123.969 121.223 -0.124 0.000 2.540 184 L HA 0.647 4.985 4.340 -0.003 0.000 0.276 184 L C 1.056 177.878 176.870 -0.080 0.000 1.212 184 L CA 0.360 55.172 54.840 -0.048 0.000 0.893 184 L CB 0.379 42.444 42.059 0.010 0.000 1.138 184 L HN 1.102 nan 8.230 nan 0.000 0.491 185 A N 6.394 129.186 122.820 -0.048 0.000 2.520 185 A HA 0.273 4.591 4.320 -0.003 0.000 0.245 185 A C 0.039 177.616 177.584 -0.011 0.000 1.072 185 A CA -0.391 51.625 52.037 -0.034 0.000 0.761 185 A CB -0.354 18.644 19.000 -0.003 0.000 1.004 185 A HN 0.787 nan 8.150 nan 0.000 0.499 186 L N 2.277 123.494 121.223 -0.011 0.000 2.453 186 L HA 0.396 4.734 4.340 -0.003 0.000 0.272 186 L C 0.742 177.616 176.870 0.008 0.000 1.182 186 L CA 0.365 55.206 54.840 0.002 0.000 0.858 186 L CB 0.781 42.843 42.059 0.006 0.000 1.120 186 L HN 0.810 nan 8.230 nan 0.000 0.474 187 S N 0.149 115.857 115.700 0.012 0.000 2.578 187 S HA 0.114 4.582 4.470 -0.003 0.000 0.285 187 S C 0.574 175.194 174.600 0.033 0.000 1.126 187 S CA -0.100 58.110 58.200 0.018 0.000 0.878 187 S CB 1.363 64.577 63.200 0.023 0.000 1.091 187 S HN 0.752 nan 8.310 nan 0.000 0.450 188 S N 3.781 119.502 115.700 0.036 0.000 2.387 188 S HA -0.189 4.279 4.470 -0.003 0.000 0.230 188 S C 1.824 176.512 174.600 0.146 0.000 1.035 188 S CA 0.994 59.232 58.200 0.064 0.000 1.014 188 S CB -0.493 62.749 63.200 0.070 0.000 0.836 188 S HN 0.710 nan 8.310 nan 0.000 0.466 189 R N 2.393 122.984 120.500 0.152 0.000 2.117 189 R HA -0.009 4.329 4.340 -0.003 0.000 0.243 189 R C 2.019 178.456 176.300 0.229 0.000 1.143 189 R CA 1.412 57.645 56.100 0.221 0.000 0.968 189 R CB -1.752 28.582 30.300 0.056 0.000 0.863 189 R HN 0.550 nan 8.270 nan 0.000 0.444 190 N N 1.152 119.921 118.700 0.115 0.000 2.091 190 N HA -0.182 4.556 4.740 -0.003 0.000 0.193 190 N C 1.576 177.125 175.510 0.065 0.000 1.021 190 N CA 1.741 54.840 53.050 0.081 0.000 0.862 190 N CB -0.464 38.050 38.487 0.044 0.000 1.018 190 N HN 0.277 nan 8.380 nan 0.000 0.429 191 A N -0.147 122.685 122.820 0.019 0.000 2.131 191 A HA -0.149 4.169 4.320 -0.003 0.000 0.220 191 A C 1.409 178.895 177.584 -0.162 0.000 1.158 191 A CA 0.948 52.926 52.037 -0.099 0.000 0.665 191 A CB -0.794 18.091 19.000 -0.192 0.000 0.795 191 A HN 0.399 nan 8.150 nan 0.000 0.460 192 Y N -0.450 119.860 120.300 0.018 0.000 2.511 192 Y HA 0.265 4.813 4.550 -0.003 0.000 0.279 192 Y C 0.819 176.736 175.900 0.029 0.000 1.157 192 Y CA -0.202 57.916 58.100 0.030 0.000 1.300 192 Y CB -0.216 38.271 38.460 0.046 0.000 1.052 192 Y HN 0.147 nan 8.280 nan 0.000 0.529 193 L N 0.313 121.615 121.223 0.131 0.000 2.453 193 L HA 0.187 4.525 4.340 -0.003 0.000 0.261 193 L C 1.028 177.923 176.870 0.041 0.000 1.179 193 L CA -0.527 54.358 54.840 0.074 0.000 0.813 193 L CB 0.466 42.552 42.059 0.044 0.000 1.110 193 L HN 0.082 nan 8.230 nan 0.000 0.466 194 T N -1.668 112.901 114.554 0.025 0.000 2.824 194 T HA 0.388 4.736 4.350 -0.003 0.000 0.277 194 T C 1.106 175.807 174.700 0.003 0.000 0.975 194 T CA -0.179 61.928 62.100 0.011 0.000 0.966 194 T CB 1.410 70.282 68.868 0.007 0.000 1.054 194 T HN 0.629 nan 8.240 nan 0.000 0.533 195 A N 0.089 122.909 122.820 -0.000 0.000 1.940 195 A HA -0.058 4.260 4.320 -0.003 0.000 0.219 195 A C 2.265 179.847 177.584 -0.003 0.000 1.176 195 A CA 1.994 54.030 52.037 -0.001 0.000 0.631 195 A CB -1.202 17.797 19.000 -0.001 0.000 0.814 195 A HN 0.964 nan 8.150 nan 0.000 0.446 196 E N -0.101 120.094 120.200 -0.007 0.000 2.107 196 E HA -0.152 4.196 4.350 -0.003 0.000 0.191 196 E C 2.153 178.738 176.600 -0.025 0.000 0.982 196 E CA 1.392 57.785 56.400 -0.012 0.000 0.809 196 E CB -0.227 29.466 29.700 -0.012 0.000 0.756 196 E HN 0.738 nan 8.360 nan 0.000 0.459 197 Q N -0.538 119.242 119.800 -0.033 0.000 2.291 197 Q HA -0.144 4.194 4.340 -0.003 0.000 0.205 197 Q C 1.995 177.965 176.000 -0.050 0.000 0.970 197 Q CA 1.120 56.883 55.803 -0.066 0.000 0.876 197 Q CB -0.064 28.638 28.738 -0.060 0.000 0.935 197 Q HN -0.005 nan 8.270 nan 0.000 0.455 198 R N 1.430 121.921 120.500 -0.015 0.000 2.148 198 R HA -0.050 4.288 4.340 -0.003 0.000 0.223 198 R C 1.510 177.817 176.300 0.013 0.000 1.088 198 R CA 1.261 57.363 56.100 0.004 0.000 0.985 198 R CB 0.105 30.411 30.300 0.010 0.000 0.880 198 R HN 0.029 nan 8.270 nan 0.000 0.451 199 K N -0.289 120.115 120.400 0.006 0.000 2.211 199 K HA -0.019 4.299 4.320 -0.003 0.000 0.203 199 K C 1.569 178.187 176.600 0.030 0.000 1.050 199 K CA 1.313 57.610 56.287 0.017 0.000 0.945 199 K CB 0.050 32.556 32.500 0.010 0.000 0.732 199 K HN 0.278 nan 8.250 nan 0.000 0.451 200 I N -0.185 120.387 120.570 0.003 0.000 3.081 200 I HA -0.049 4.119 4.170 -0.003 0.000 0.274 200 I C 2.263 178.447 176.117 0.112 0.000 1.178 200 I CA 0.170 61.476 61.300 0.010 0.000 1.460 200 I CB -0.143 37.771 38.000 -0.143 0.000 1.137 200 I HN 0.021 nan 8.210 nan 0.000 0.443 201 A N 2.303 125.165 122.820 0.071 0.000 1.940 201 A HA -0.191 4.127 4.320 -0.003 0.000 0.221 201 A C -0.235 177.546 177.584 0.328 0.000 1.190 201 A CA 2.119 54.287 52.037 0.218 0.000 0.647 201 A CB -2.082 16.985 19.000 0.112 0.000 0.821 201 A HN 0.282 nan 8.150 nan 0.000 0.457 202 P HA -0.029 nan 4.420 nan 0.000 0.228 202 P C 1.459 178.887 177.300 0.214 0.000 1.151 202 P CA 1.317 64.528 63.100 0.185 0.000 0.770 202 P CB -0.432 31.347 31.700 0.132 0.000 0.786 203 G N -0.004 108.959 108.800 0.272 0.000 2.470 203 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.220 203 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.220 203 G C 1.342 176.219 174.900 -0.039 0.000 1.121 203 G CA 0.267 45.474 45.100 0.179 0.000 0.766 203 G HN 0.245 nan 8.290 nan 0.000 0.553 204 L N -0.608 120.573 121.223 -0.069 0.000 2.072 204 L HA 0.093 4.431 4.340 -0.003 0.000 0.205 204 L C 2.408 179.249 176.870 -0.049 0.000 1.079 204 L CA 1.395 56.091 54.840 -0.241 0.000 0.752 204 L CB -0.809 41.140 42.059 -0.183 0.000 0.906 204 L HN 0.276 nan 8.230 nan 0.000 0.436 205 Y N 0.782 121.044 120.300 -0.062 0.000 2.128 205 Y HA -0.307 4.241 4.550 -0.003 0.000 0.284 205 Y C 2.476 178.349 175.900 -0.044 0.000 1.154 205 Y CA 2.088 60.164 58.100 -0.040 0.000 1.149 205 Y CB -0.467 37.989 38.460 -0.007 0.000 0.976 205 Y HN 0.370 nan 8.280 nan 0.000 0.505 206 N N -0.101 118.581 118.700 -0.030 0.000 2.025 206 N HA -0.206 4.532 4.740 -0.003 0.000 0.194 206 N C 2.083 177.500 175.510 -0.154 0.000 1.044 206 N CA 1.938 54.924 53.050 -0.106 0.000 0.851 206 N CB -1.002 37.480 38.487 -0.007 0.000 1.036 206 N HN 0.291 nan 8.380 nan 0.000 0.422 207 V N 1.875 121.710 119.914 -0.131 0.000 2.380 207 V HA -0.241 3.877 4.120 -0.003 0.000 0.251 207 V C 2.394 178.397 176.094 -0.153 0.000 1.063 207 V CA 1.430 63.649 62.300 -0.136 0.000 1.055 207 V CB -0.417 31.308 31.823 -0.164 0.000 0.657 207 V HN 0.332 nan 8.190 nan 0.000 0.455 208 M N -0.328 119.162 119.600 -0.182 0.000 2.117 208 M HA -0.157 4.321 4.480 -0.003 0.000 0.262 208 M C 2.148 178.317 176.300 -0.219 0.000 1.065 208 M CA 1.637 56.825 55.300 -0.185 0.000 1.114 208 M CB -0.643 31.854 32.600 -0.171 0.000 1.361 208 M HN 0.453 nan 8.290 nan 0.000 0.408 209 N N 0.075 118.587 118.700 -0.313 0.000 2.120 209 N HA -0.143 4.595 4.740 -0.003 0.000 0.188 209 N C 1.769 177.182 175.510 -0.162 0.000 1.024 209 N CA 1.587 54.473 53.050 -0.273 0.000 0.852 209 N CB -0.686 37.596 38.487 -0.341 0.000 1.003 209 N HN 0.272 nan 8.380 nan 0.000 0.424 210 S N 1.159 116.776 115.700 -0.139 0.000 2.380 210 S HA -0.122 4.346 4.470 -0.003 0.000 0.229 210 S C 1.981 176.531 174.600 -0.085 0.000 1.043 210 S CA 0.926 59.069 58.200 -0.095 0.000 1.038 210 S CB -0.286 62.865 63.200 -0.081 0.000 0.872 210 S HN 0.260 nan 8.310 nan 0.000 0.456 211 I N 1.325 121.838 120.570 -0.096 0.000 2.202 211 I HA -0.121 4.047 4.170 -0.003 0.000 0.242 211 I C 2.901 178.973 176.117 -0.075 0.000 1.091 211 I CA 1.012 62.264 61.300 -0.081 0.000 1.368 211 I CB -0.747 37.201 38.000 -0.086 0.000 1.058 211 I HN 0.426 nan 8.210 nan 0.000 0.410 212 A N 0.915 123.682 122.820 -0.089 0.000 1.865 212 A HA -0.265 4.053 4.320 -0.003 0.000 0.217 212 A C 2.173 179.722 177.584 -0.059 0.000 1.191 212 A CA 2.017 54.010 52.037 -0.074 0.000 0.623 212 A CB -0.756 18.192 19.000 -0.087 0.000 0.826 212 A HN 0.451 nan 8.150 nan 0.000 0.444 213 E N -0.161 120.000 120.200 -0.064 0.000 2.049 213 E HA -0.244 4.104 4.350 -0.003 0.000 0.198 213 E C 2.109 178.686 176.600 -0.040 0.000 1.007 213 E CA 1.682 58.053 56.400 -0.048 0.000 0.809 213 E CB -0.220 29.450 29.700 -0.050 0.000 0.749 213 E HN 0.596 nan 8.360 nan 0.000 0.450 214 K N 0.540 120.915 120.400 -0.043 0.000 2.044 214 K HA -0.186 4.132 4.320 -0.003 0.000 0.210 214 K C 2.253 178.834 176.600 -0.032 0.000 1.049 214 K CA 1.288 57.554 56.287 -0.036 0.000 0.927 214 K CB -0.255 32.222 32.500 -0.038 0.000 0.713 214 K HN 0.118 nan 8.250 nan 0.000 0.443 215 L N 0.519 121.721 121.223 -0.037 0.000 2.017 215 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 215 L C 2.369 179.223 176.870 -0.026 0.000 1.073 215 L CA 1.088 55.908 54.840 -0.032 0.000 0.745 215 L CB -0.391 41.645 42.059 -0.037 0.000 0.894 215 L HN 0.169 nan 8.230 nan 0.000 0.432 216 I N 0.087 120.641 120.570 -0.027 0.000 2.423 216 I HA -0.259 3.909 4.170 -0.003 0.000 0.254 216 I C 2.180 178.286 176.117 -0.018 0.000 1.151 216 I CA 1.196 62.483 61.300 -0.022 0.000 1.421 216 I CB -0.267 37.720 38.000 -0.022 0.000 1.079 216 I HN 0.185 nan 8.210 nan 0.000 0.431 217 A N -0.032 122.776 122.820 -0.020 0.000 2.370 217 A HA 0.464 4.782 4.320 -0.003 0.000 0.238 217 A C 1.661 179.236 177.584 -0.015 0.000 1.289 217 A CA 0.496 52.523 52.037 -0.017 0.000 0.885 217 A CB -0.623 18.366 19.000 -0.018 0.000 0.961 217 A HN 0.531 nan 8.150 nan 0.000 0.499 218 G N -0.052 108.738 108.800 -0.016 0.000 2.143 218 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.249 218 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.249 218 G C 0.063 174.954 174.900 -0.015 0.000 0.981 218 G CA 0.164 45.256 45.100 -0.014 0.000 0.665 218 G HN 0.664 nan 8.290 nan 0.000 0.528 219 N N 0.373 119.062 118.700 -0.017 0.000 2.402 219 N HA 0.303 5.041 4.740 -0.003 0.000 0.252 219 N C 1.175 176.674 175.510 -0.019 0.000 1.118 219 N CA -0.467 52.573 53.050 -0.018 0.000 0.945 219 N CB 0.250 38.725 38.487 -0.020 0.000 1.147 219 N HN 0.242 nan 8.380 nan 0.000 0.495 220 R N 2.216 122.706 120.500 -0.016 0.000 2.507 220 R HA 0.129 4.467 4.340 -0.003 0.000 0.298 220 R C -0.406 175.884 176.300 -0.016 0.000 0.999 220 R CA -0.068 56.022 56.100 -0.016 0.000 1.082 220 R CB 0.353 30.645 30.300 -0.014 0.000 1.246 220 R HN 0.603 nan 8.270 nan 0.000 0.553 221 E N 1.765 121.956 120.200 -0.016 0.000 1.972 221 E HA 0.015 4.363 4.350 -0.003 0.000 0.292 221 E C 0.607 177.196 176.600 -0.017 0.000 1.193 221 E CA -0.163 56.228 56.400 -0.015 0.000 1.228 221 E CB 0.454 30.146 29.700 -0.013 0.000 1.167 221 E HN -0.038 nan 8.360 nan 0.000 0.479 222 L N 1.480 122.692 121.223 -0.018 0.000 1.994 222 L HA -0.251 4.087 4.340 -0.003 0.000 0.208 222 L C 2.312 179.170 176.870 -0.020 0.000 1.071 222 L CA 1.789 56.616 54.840 -0.022 0.000 0.745 222 L CB -0.741 41.305 42.059 -0.022 0.000 0.892 222 L HN 0.408 nan 8.230 nan 0.000 0.431 223 Q N -0.628 119.163 119.800 -0.016 0.000 2.156 223 Q HA -0.287 4.051 4.340 -0.003 0.000 0.211 223 Q C 2.003 177.995 176.000 -0.014 0.000 0.995 223 Q CA 2.086 57.880 55.803 -0.014 0.000 0.877 223 Q CB -0.391 28.341 28.738 -0.010 0.000 0.920 223 Q HN 0.605 nan 8.270 nan 0.000 0.416 224 E N 0.212 120.403 120.200 -0.014 0.000 2.250 224 E HA 0.012 4.360 4.350 -0.003 0.000 0.192 224 E C 1.975 178.563 176.600 -0.019 0.000 0.986 224 E CA -0.005 56.386 56.400 -0.014 0.000 0.849 224 E CB 0.134 29.827 29.700 -0.012 0.000 0.797 224 E HN 0.310 nan 8.360 nan 0.000 0.482 225 I N 1.200 121.757 120.570 -0.023 0.000 2.208 225 I HA -0.320 3.848 4.170 -0.003 0.000 0.245 225 I C 2.221 178.318 176.117 -0.033 0.000 1.097 225 I CA 1.253 62.536 61.300 -0.029 0.000 1.363 225 I CB -0.110 37.871 38.000 -0.033 0.000 1.051 225 I HN 0.165 nan 8.210 nan 0.000 0.413 226 I N 0.318 120.869 120.570 -0.031 0.000 2.252 226 I HA -0.264 3.904 4.170 -0.003 0.000 0.245 226 I C 2.749 178.849 176.117 -0.027 0.000 1.102 226 I CA 1.200 62.480 61.300 -0.034 0.000 1.385 226 I CB -0.447 37.535 38.000 -0.030 0.000 1.064 226 I HN 0.189 nan 8.210 nan 0.000 0.414 227 A N 1.115 123.923 122.820 -0.020 0.000 1.902 227 A HA -0.177 4.141 4.320 -0.003 0.000 0.217 227 A C 2.282 179.858 177.584 -0.013 0.000 1.181 227 A CA 1.414 53.443 52.037 -0.013 0.000 0.623 227 A CB -0.763 18.232 19.000 -0.009 0.000 0.818 227 A HN 0.356 nan 8.150 nan 0.000 0.443 228 I N -0.228 120.332 120.570 -0.018 0.000 2.163 228 I HA -0.322 3.846 4.170 -0.003 0.000 0.243 228 I C 3.016 179.118 176.117 -0.024 0.000 1.085 228 I CA 1.157 62.446 61.300 -0.018 0.000 1.347 228 I CB -0.391 37.596 38.000 -0.021 0.000 1.044 228 I HN 0.370 nan 8.210 nan 0.000 0.408 229 A N 0.398 123.196 122.820 -0.037 0.000 1.917 229 A HA -0.272 4.047 4.320 -0.003 0.000 0.219 229 A C 2.193 179.748 177.584 -0.049 0.000 1.182 229 A CA 1.994 53.999 52.037 -0.054 0.000 0.633 229 A CB -0.703 18.256 19.000 -0.068 0.000 0.819 229 A HN 0.478 nan 8.150 nan 0.000 0.448 230 E N -0.724 119.457 120.200 -0.031 0.000 2.058 230 E HA -0.274 4.074 4.350 -0.003 0.000 0.194 230 E C 2.329 178.931 176.600 0.005 0.000 0.997 230 E CA 1.527 57.920 56.400 -0.012 0.000 0.801 230 E CB -0.216 29.484 29.700 -0.000 0.000 0.746 230 E HN 0.749 nan 8.360 nan 0.000 0.450 231 Q N 0.580 120.382 119.800 0.003 0.000 2.045 231 Q HA -0.253 4.085 4.340 -0.003 0.000 0.206 231 Q C 2.175 178.186 176.000 0.019 0.000 0.991 231 Q CA 1.680 57.491 55.803 0.013 0.000 0.851 231 Q CB -0.075 28.667 28.738 0.007 0.000 0.911 231 Q HN 0.255 nan 8.270 nan 0.000 0.418 232 E N -0.047 120.155 120.200 0.003 0.000 2.085 232 E HA -0.208 4.140 4.350 -0.003 0.000 0.194 232 E C 1.941 178.556 176.600 0.024 0.000 0.994 232 E CA 0.988 57.391 56.400 0.005 0.000 0.801 232 E CB 0.011 29.698 29.700 -0.021 0.000 0.743 232 E HN 0.292 nan 8.360 nan 0.000 0.453 233 L N 0.555 121.777 121.223 -0.001 0.000 2.068 233 L HA -0.139 4.199 4.340 -0.003 0.000 0.204 233 L C 2.097 179.077 176.870 0.183 0.000 1.076 233 L CA 0.632 55.483 54.840 0.019 0.000 0.753 233 L CB -0.326 41.638 42.059 -0.159 0.000 0.910 233 L HN 0.106 nan 8.230 nan 0.000 0.439 234 N N 0.341 119.114 118.700 0.122 0.000 2.149 234 N HA -0.187 4.551 4.740 -0.003 0.000 0.188 234 N C 1.543 177.123 175.510 0.116 0.000 1.019 234 N CA 1.195 54.324 53.050 0.132 0.000 0.857 234 N CB -0.168 38.370 38.487 0.085 0.000 0.997 234 N HN 0.440 nan 8.380 nan 0.000 0.426 235 E N 0.235 120.491 120.200 0.094 0.000 2.482 235 E HA 0.004 4.352 4.350 -0.003 0.000 0.196 235 E C 1.150 177.807 176.600 0.095 0.000 1.047 235 E CA 0.422 56.867 56.400 0.076 0.000 0.869 235 E CB 0.109 29.840 29.700 0.052 0.000 0.836 235 E HN 0.373 nan 8.360 nan 0.000 0.520 236 K N -0.450 120.043 120.400 0.155 0.000 2.379 236 K HA 0.061 4.379 4.320 -0.003 0.000 0.194 236 K C 1.149 177.834 176.600 0.142 0.000 1.031 236 K CA 0.594 56.994 56.287 0.188 0.000 1.037 236 K CB 0.825 33.512 32.500 0.311 0.000 0.824 236 K HN 0.223 nan 8.250 nan 0.000 0.516 237 G N 0.614 109.495 108.800 0.135 0.000 2.229 237 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.189 237 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.189 237 G C 0.082 174.984 174.900 0.003 0.000 1.000 237 G CA -0.623 44.493 45.100 0.027 0.000 0.663 237 G HN 0.085 nan 8.290 nan 0.000 0.493 238 F N 0.726 120.710 119.950 0.058 0.000 2.426 238 F HA 0.638 5.163 4.527 -0.003 0.000 0.309 238 F C 1.344 177.197 175.800 0.090 0.000 1.246 238 F CA 0.196 58.243 58.000 0.080 0.000 1.229 238 F CB 0.528 39.567 39.000 0.065 0.000 1.255 238 F HN 0.043 nan 8.300 nan 0.000 0.558 239 R N 1.167 121.883 120.500 0.360 0.000 2.472 239 R HA 0.606 4.944 4.340 -0.003 0.000 0.294 239 R C -1.219 175.249 176.300 0.280 0.000 1.243 239 R CA -0.685 55.572 56.100 0.262 0.000 1.023 239 R CB 0.703 31.131 30.300 0.214 0.000 1.157 239 R HN 0.744 nan 8.270 nan 0.000 0.530 240 A N 2.843 125.774 122.820 0.185 0.000 2.567 240 A HA -0.034 4.284 4.320 -0.003 0.000 0.240 240 A C 0.237 177.904 177.584 0.139 0.000 1.053 240 A CA 0.239 52.346 52.037 0.116 0.000 0.755 240 A CB 0.310 19.338 19.000 0.045 0.000 0.978 240 A HN 0.899 nan 8.150 nan 0.000 0.507 241 D N 0.057 120.529 120.400 0.120 0.000 2.840 241 D HA 0.094 4.732 4.640 -0.003 0.000 0.277 241 D C -0.534 175.805 176.300 0.065 0.000 1.066 241 D CA 0.902 54.985 54.000 0.138 0.000 0.979 241 D CB 0.459 41.357 40.800 0.162 0.000 1.157 241 D HN 0.541 nan 8.370 nan 0.000 0.466 242 D N 0.141 120.552 120.400 0.018 0.000 2.479 242 D HA 0.285 4.923 4.640 -0.003 0.000 0.246 242 D C -1.261 175.022 176.300 -0.028 0.000 1.336 242 D CA -0.347 53.652 54.000 -0.000 0.000 0.967 242 D CB 0.571 41.370 40.800 -0.000 0.000 1.275 242 D HN 0.089 nan 8.370 nan 0.000 0.577 243 I N 2.994 123.546 120.570 -0.030 0.000 2.406 243 I HA 0.367 4.535 4.170 -0.003 0.000 0.290 243 I C -0.033 176.055 176.117 -0.048 0.000 0.999 243 I CA -0.555 60.715 61.300 -0.050 0.000 1.124 243 I CB 1.756 39.724 38.000 -0.054 0.000 1.289 243 I HN 0.178 nan 8.210 nan 0.000 0.441 244 Q N 6.086 125.846 119.800 -0.066 0.000 2.421 244 Q HA 0.672 5.010 4.340 -0.003 0.000 0.280 244 Q C -1.352 174.598 176.000 -0.084 0.000 1.085 244 Q CA -0.849 54.916 55.803 -0.064 0.000 0.807 244 Q CB 3.735 32.437 28.738 -0.060 0.000 1.405 244 Q HN 0.527 nan 8.270 nan 0.000 0.419 245 I N 1.666 122.195 120.570 -0.069 0.000 2.478 245 I HA 0.493 4.661 4.170 -0.003 0.000 0.287 245 I C -0.658 175.423 176.117 -0.060 0.000 1.042 245 I CA -0.398 60.858 61.300 -0.073 0.000 1.067 245 I CB 1.659 39.625 38.000 -0.058 0.000 1.233 245 I HN 0.372 nan 8.210 nan 0.000 0.431 246 R N 2.896 123.355 120.500 -0.068 0.000 2.888 246 R HA 0.350 4.688 4.340 -0.003 0.000 0.264 246 R C -0.974 175.305 176.300 -0.035 0.000 1.045 246 R CA -1.076 54.998 56.100 -0.043 0.000 0.962 246 R CB 1.539 31.818 30.300 -0.035 0.000 1.210 246 R HN 0.494 nan 8.270 nan 0.000 0.479 247 D N 0.801 121.190 120.400 -0.017 0.000 2.417 247 D HA 0.020 4.658 4.640 -0.003 0.000 0.250 247 D C 0.519 176.819 176.300 -0.001 0.000 1.166 247 D CA 0.212 54.206 54.000 -0.010 0.000 0.881 247 D CB 1.505 42.302 40.800 -0.004 0.000 1.164 247 D HN 0.637 nan 8.370 nan 0.000 0.467 248 A N 4.270 127.089 122.820 -0.002 0.000 2.121 248 A HA -0.140 4.178 4.320 -0.003 0.000 0.218 248 A C 1.469 179.071 177.584 0.030 0.000 1.154 248 A CA 0.994 53.042 52.037 0.018 0.000 0.679 248 A CB 0.144 19.151 19.000 0.011 0.000 0.795 248 A HN 0.578 nan 8.150 nan 0.000 0.458 249 D N -1.192 119.215 120.400 0.012 0.000 2.324 249 D HA -0.033 4.605 4.640 -0.003 0.000 0.212 249 D C 2.010 178.308 176.300 -0.003 0.000 0.984 249 D CA 1.789 55.790 54.000 0.003 0.000 0.885 249 D CB -0.267 40.533 40.800 -0.001 0.000 0.996 249 D HN 0.584 nan 8.370 nan 0.000 0.505 250 T N -1.491 113.064 114.554 0.002 0.000 3.037 250 T HA 0.148 4.496 4.350 -0.003 0.000 0.251 250 T C 1.478 176.184 174.700 0.009 0.000 1.079 250 T CA -0.108 61.992 62.100 -0.001 0.000 1.067 250 T CB 0.153 69.020 68.868 -0.001 0.000 0.948 250 T HN 0.125 nan 8.240 nan 0.000 0.496 251 L N -0.232 121.008 121.223 0.029 0.000 4.367 251 L HA -0.183 4.155 4.340 -0.003 0.000 0.424 251 L C 0.284 177.174 176.870 0.033 0.000 1.152 251 L CA 0.279 55.153 54.840 0.056 0.000 0.974 251 L CB -2.232 39.879 42.059 0.086 0.000 2.012 251 L HN 0.396 nan 8.230 nan 0.000 0.922 252 L N -0.687 120.545 121.223 0.015 0.000 2.793 252 L HA 0.449 4.787 4.340 -0.003 0.000 0.242 252 L C 1.085 177.955 176.870 0.001 0.000 1.315 252 L CA -0.790 54.055 54.840 0.009 0.000 1.263 252 L CB 0.175 42.237 42.059 0.005 0.000 2.076 252 L HN 0.067 nan 8.230 nan 0.000 0.575 253 E N 1.195 121.394 120.200 -0.002 0.000 2.373 253 E HA 0.193 4.541 4.350 -0.003 0.000 0.263 253 E C -0.652 175.943 176.600 -0.008 0.000 1.073 253 E CA -0.437 55.959 56.400 -0.007 0.000 0.894 253 E CB 0.863 30.560 29.700 -0.006 0.000 1.008 253 E HN 0.362 nan 8.360 nan 0.000 0.420 254 L N 1.853 123.068 121.223 -0.012 0.000 2.506 254 L HA 0.038 4.376 4.340 -0.003 0.000 0.281 254 L C 1.010 177.875 176.870 -0.009 0.000 1.228 254 L CA 0.697 55.530 54.840 -0.012 0.000 0.850 254 L CB -0.018 42.032 42.059 -0.016 0.000 1.110 254 L HN 0.834 nan 8.230 nan 0.000 0.496 255 T N -2.208 112.342 114.554 -0.008 0.000 2.804 255 T HA 0.268 4.617 4.350 -0.003 0.000 0.290 255 T C 0.589 175.285 174.700 -0.007 0.000 1.099 255 T CA -0.868 61.228 62.100 -0.006 0.000 1.011 255 T CB 1.337 70.202 68.868 -0.005 0.000 1.291 255 T HN 0.572 nan 8.240 nan 0.000 0.523 256 E N 0.370 120.566 120.200 -0.006 0.000 2.267 256 E HA -0.079 4.269 4.350 -0.003 0.000 0.197 256 E C 1.585 178.182 176.600 -0.005 0.000 0.998 256 E CA 1.739 58.135 56.400 -0.005 0.000 0.830 256 E CB -0.320 29.378 29.700 -0.005 0.000 0.751 256 E HN 0.830 nan 8.360 nan 0.000 0.491 257 T N -2.381 112.170 114.554 -0.005 0.000 3.040 257 T HA 0.156 4.504 4.350 -0.003 0.000 0.250 257 T C 0.867 175.565 174.700 -0.004 0.000 1.058 257 T CA -0.455 61.643 62.100 -0.004 0.000 0.988 257 T CB 0.367 69.233 68.868 -0.003 0.000 0.993 257 T HN -0.161 nan 8.240 nan 0.000 0.519 258 S N 1.847 117.544 115.700 -0.005 0.000 2.558 258 S HA 0.170 4.638 4.470 -0.003 0.000 0.288 258 S C 1.013 175.609 174.600 -0.006 0.000 1.318 258 S CA -0.264 57.932 58.200 -0.006 0.000 1.056 258 S CB 0.921 64.116 63.200 -0.008 0.000 0.853 258 S HN 0.387 nan 8.310 nan 0.000 0.505 259 K N 1.268 121.665 120.400 -0.004 0.000 2.387 259 K HA 0.202 4.520 4.320 -0.003 0.000 0.197 259 K C 0.324 176.921 176.600 -0.004 0.000 1.127 259 K CA 0.337 56.622 56.287 -0.003 0.000 0.950 259 K CB 0.452 32.951 32.500 -0.001 0.000 1.017 259 K HN 0.414 nan 8.250 nan 0.000 0.519 260 R N 0.156 120.653 120.500 -0.004 0.000 2.686 260 R HA 0.532 4.870 4.340 -0.003 0.000 0.283 260 R C -1.381 174.912 176.300 -0.012 0.000 0.978 260 R CA -0.438 55.659 56.100 -0.005 0.000 0.897 260 R CB 2.236 32.537 30.300 0.002 0.000 1.192 260 R HN 0.029 nan 8.270 nan 0.000 0.457 261 A N 1.666 124.475 122.820 -0.020 0.000 2.354 261 A HA 0.707 5.025 4.320 -0.003 0.000 0.321 261 A C -1.303 176.254 177.584 -0.046 0.000 1.125 261 A CA -0.681 51.336 52.037 -0.033 0.000 0.799 261 A CB 2.010 20.988 19.000 -0.038 0.000 1.293 261 A HN 0.421 nan 8.150 nan 0.000 0.452 262 V N 2.686 122.556 119.914 -0.073 0.000 2.540 262 V HA 0.607 4.725 4.120 -0.003 0.000 0.302 262 V C -0.986 175.018 176.094 -0.149 0.000 1.035 262 V CA -0.662 61.566 62.300 -0.120 0.000 0.873 262 V CB 1.275 32.992 31.823 -0.177 0.000 0.992 262 V HN 0.691 nan 8.190 nan 0.000 0.428 263 I N 7.509 127.994 120.570 -0.143 0.000 2.321 263 I HA 0.439 4.607 4.170 -0.003 0.000 0.291 263 I C -0.722 175.292 176.117 -0.173 0.000 0.998 263 I CA -0.414 60.804 61.300 -0.137 0.000 1.227 263 I CB 1.448 39.385 38.000 -0.105 0.000 1.368 263 I HN 0.375 nan 8.210 nan 0.000 0.466 264 L N 6.662 127.775 121.223 -0.182 0.000 2.349 264 L HA 0.797 5.135 4.340 -0.003 0.000 0.278 264 L C -0.264 176.531 176.870 -0.124 0.000 0.996 264 L CA -0.392 54.331 54.840 -0.196 0.000 0.825 264 L CB 1.780 43.677 42.059 -0.270 0.000 1.243 264 L HN 0.690 nan 8.230 nan 0.000 0.412 265 A N 2.993 125.752 122.820 -0.102 0.000 2.449 265 A HA 0.974 5.292 4.320 -0.003 0.000 0.302 265 A C -1.116 176.418 177.584 -0.083 0.000 1.048 265 A CA -0.434 51.549 52.037 -0.090 0.000 0.708 265 A CB 1.958 20.898 19.000 -0.101 0.000 1.274 265 A HN 0.728 nan 8.150 nan 0.000 0.410 266 A N 0.529 123.298 122.820 -0.085 0.000 2.422 266 A HA 0.974 5.293 4.320 -0.003 0.000 0.302 266 A C -0.454 177.070 177.584 -0.101 0.000 1.041 266 A CA 0.046 52.016 52.037 -0.112 0.000 0.708 266 A CB 1.467 20.388 19.000 -0.131 0.000 1.257 266 A HN 2.603 nan 8.150 nan 0.000 0.414 267 A N 0.804 123.556 122.820 -0.112 0.000 2.566 267 A HA 0.645 4.963 4.320 -0.003 0.000 0.297 267 A C -1.639 175.967 177.584 0.036 0.000 1.059 267 A CA -0.488 51.564 52.037 0.025 0.000 0.691 267 A CB 0.560 19.602 19.000 0.071 0.000 1.282 267 A HN 0.910 nan 8.150 nan 0.000 0.401 268 W N 1.283 122.677 121.300 0.156 0.000 2.238 268 W HA 0.592 5.250 4.660 -0.003 0.000 0.321 268 W C 0.048 176.636 176.519 0.115 0.000 1.293 268 W CA 0.144 57.553 57.345 0.107 0.000 1.204 268 W CB 1.023 30.514 29.460 0.051 0.000 1.167 268 W HN 0.541 nan 8.180 nan 0.000 0.553 269 L N 3.654 125.027 121.223 0.251 0.000 2.439 269 L HA 0.519 4.857 4.340 -0.003 0.000 0.270 269 L C 0.947 177.881 176.870 0.107 0.000 0.972 269 L CA -0.096 54.760 54.840 0.027 0.000 0.836 269 L CB 1.336 43.274 42.059 -0.201 0.000 1.255 269 L HN 0.781 nan 8.230 nan 0.000 0.404 270 G N 3.460 112.303 108.800 0.072 0.000 2.672 270 G HA2 -0.382 3.576 3.960 -0.003 0.000 0.324 270 G HA3 -0.382 3.576 3.960 -0.003 0.000 0.324 270 G C 0.396 175.404 174.900 0.181 0.000 1.286 270 G CA 0.836 45.990 45.100 0.090 0.000 1.004 270 G HN 0.722 nan 8.290 nan 0.000 0.548 271 Q N 0.806 120.721 119.800 0.192 0.000 2.320 271 Q HA 0.544 4.882 4.340 -0.003 0.000 0.201 271 Q C 0.839 177.003 176.000 0.273 0.000 0.910 271 Q CA 0.445 56.387 55.803 0.231 0.000 0.946 271 Q CB 0.628 29.490 28.738 0.208 0.000 1.062 271 Q HN 0.845 nan 8.270 nan 0.000 0.503 272 A N 1.665 124.639 122.820 0.257 0.000 2.271 272 A HA 0.402 4.720 4.320 -0.003 0.000 0.317 272 A C -0.589 176.940 177.584 -0.092 0.000 1.245 272 A CA -0.594 51.490 52.037 0.079 0.000 0.857 272 A CB 0.592 19.669 19.000 0.128 0.000 1.175 272 A HN 0.176 nan 8.150 nan 0.000 0.512 273 R N 4.162 124.351 120.500 -0.518 0.000 2.408 273 R HA 0.357 4.695 4.340 -0.003 0.000 0.308 273 R C -0.902 175.142 176.300 -0.427 0.000 1.210 273 R CA -0.274 55.256 56.100 -0.949 0.000 1.115 273 R CB -0.171 29.189 30.300 -1.567 0.000 1.127 273 R HN 0.777 nan 8.270 nan 0.000 0.523 274 L N 4.811 125.908 121.223 -0.210 0.000 2.461 274 L HA 0.225 4.563 4.340 -0.003 0.000 0.272 274 L C 0.104 176.919 176.870 -0.093 0.000 1.197 274 L CA 0.129 54.931 54.840 -0.063 0.000 0.836 274 L CB 0.624 42.742 42.059 0.098 0.000 1.105 274 L HN 0.535 nan 8.230 nan 0.000 0.477 275 I N 1.992 122.530 120.570 -0.054 0.000 2.722 275 I HA 0.435 4.603 4.170 -0.003 0.000 0.295 275 I C -0.987 175.121 176.117 -0.015 0.000 1.161 275 I CA -0.095 61.173 61.300 -0.054 0.000 1.032 275 I CB 2.220 40.182 38.000 -0.064 0.000 1.244 275 I HN 0.495 nan 8.210 nan 0.000 0.421 276 D N 3.354 123.743 120.400 -0.018 0.000 2.654 276 D HA 0.427 5.065 4.640 -0.003 0.000 0.231 276 D C -1.797 174.492 176.300 -0.018 0.000 1.239 276 D CA -0.411 53.593 54.000 0.005 0.000 0.790 276 D CB 2.121 42.939 40.800 0.031 0.000 1.480 276 D HN 0.561 nan 8.370 nan 0.000 0.442 277 N N 0.568 119.267 118.700 -0.001 0.000 2.525 277 N HA 0.597 5.335 4.740 -0.003 0.000 0.270 277 N C -1.761 173.747 175.510 -0.004 0.000 1.321 277 N CA -0.647 52.374 53.050 -0.047 0.000 0.797 277 N CB 2.074 40.496 38.487 -0.108 0.000 1.529 277 N HN 0.308 nan 8.380 nan 0.000 0.491 278 Q N 0.696 120.473 119.800 -0.037 0.000 2.378 278 Q HA 0.429 4.767 4.340 -0.003 0.000 0.262 278 Q C -1.687 174.295 176.000 -0.029 0.000 0.978 278 Q CA -0.571 55.230 55.803 -0.004 0.000 0.918 278 Q CB 1.568 30.304 28.738 -0.004 0.000 1.415 278 Q HN 0.694 nan 8.270 nan 0.000 0.409 279 S N 1.520 117.218 115.700 -0.002 0.000 2.585 279 S HA 0.699 5.167 4.470 -0.003 0.000 0.277 279 S C -0.838 173.755 174.600 -0.011 0.000 1.241 279 S CA -0.465 57.730 58.200 -0.007 0.000 1.041 279 S CB 1.389 64.599 63.200 0.017 0.000 0.987 279 S HN 0.424 nan 8.310 nan 0.000 0.512 280 V N 2.314 122.217 119.914 -0.018 0.000 2.638 280 V HA 0.382 4.500 4.120 -0.003 0.000 0.306 280 V C -0.164 175.923 176.094 -0.012 0.000 1.052 280 V CA -0.846 61.443 62.300 -0.019 0.000 0.885 280 V CB 1.985 33.789 31.823 -0.032 0.000 0.999 280 V HN 0.840 nan 8.190 nan 0.000 0.424 281 T N 6.137 120.687 114.554 -0.007 0.000 2.728 281 T HA 0.495 4.843 4.350 -0.003 0.000 0.296 281 T C 0.002 174.697 174.700 -0.007 0.000 0.940 281 T CA -0.126 61.972 62.100 -0.004 0.000 1.013 281 T CB 0.228 69.097 68.868 0.002 0.000 0.912 281 T HN 0.377 nan 8.240 nan 0.000 0.484 282 L N 3.462 124.681 121.223 -0.008 0.000 2.361 282 L HA 0.453 4.791 4.340 -0.003 0.000 0.278 282 L C 1.080 177.946 176.870 -0.007 0.000 1.113 282 L CA -0.669 54.165 54.840 -0.010 0.000 0.849 282 L CB 0.377 42.430 42.059 -0.010 0.000 1.155 282 L HN 0.674 nan 8.230 nan 0.000 0.452 283 A N 0.000 122.815 122.820 -0.008 0.000 2.254 283 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 283 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 283 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 283 A HN 0.000 nan 8.150 nan 0.000 0.486