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 1o7j_1_D DATA FIRST_RESID 3 DATA SEQUENCE KLPNIVILAT GGTIAGSAAT GTQTTGYKAG ALGVDTLINA VPEVKKLANV DATA SEQUENCE KGEQFSNMAS ENMTGDVVLK LSQRVNELLA RDDVDGVVIT HGTDTVEESA DATA SEQUENCE YFLHLTVKSD KPVVFVAAMR PATAISADGP MNLLEAVRVA GDKQSRGRGV DATA SEQUENCE MVVINDRIGS ARYITKTNAS TLDTFRANEE GYLGVIIGNR IYYQNRIDKL DATA SEQUENCE HTTRSVFDVR GLTSLPKVDI LYGYQDDPEY LYDAAIQHGV KGIVYAGMGA DATA SEQUENCE GSVSVRGIAG MRKALEKGVV VMRSTRTGNG IVPPDEELPG LVSDSLNPAH DATA SEQUENCE ARILLMLALT RTSDPKVIQE YFHTY 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 3 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 3 K C 0.000 176.598 176.600 -0.003 0.000 0.988 3 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 3 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 4 L N 2.379 123.600 121.223 -0.003 0.000 2.439 4 L HA 0.207 4.544 4.340 -0.004 0.000 0.261 4 L C -1.937 174.931 176.870 -0.003 0.000 1.153 4 L CA -1.887 52.951 54.840 -0.004 0.000 0.808 4 L CB 0.329 42.386 42.059 -0.004 0.000 1.126 4 L HN -0.211 8.017 8.230 -0.003 0.000 0.460 5 P HA 0.184 4.736 4.420 -0.003 -0.133 0.272 5 P C -1.659 175.639 177.300 -0.005 0.000 1.223 5 P CA -0.900 62.198 63.100 -0.003 0.000 0.784 5 P CB 1.111 32.810 31.700 -0.002 0.000 0.923 6 N N 1.268 119.965 118.700 -0.005 0.000 2.426 6 N HA 0.455 5.365 4.740 -0.006 -0.174 0.257 6 N C -1.169 174.336 175.510 -0.009 0.000 1.002 6 N CA -0.432 52.614 53.050 -0.006 0.000 0.942 6 N CB 1.787 40.271 38.487 -0.005 0.000 1.112 6 N HN 0.214 8.959 8.380 -0.004 -0.368 0.499 7 I N 4.593 125.156 120.570 -0.011 0.000 2.465 7 I HA 0.516 4.861 4.170 -0.017 -0.186 0.291 7 I C -1.342 174.764 176.117 -0.018 0.000 1.014 7 I CA -2.490 58.800 61.300 -0.016 0.000 1.093 7 I CB 2.596 40.586 38.000 -0.016 0.000 1.267 7 I HN 0.621 8.825 8.210 -0.010 0.000 0.431 8 V N 7.021 126.921 119.914 -0.024 0.000 2.465 8 V HA 0.315 4.595 4.120 -0.018 -0.171 0.279 8 V C -0.740 175.331 176.094 -0.039 0.000 1.045 8 V CA -1.225 61.060 62.300 -0.026 0.000 0.938 8 V CB 0.727 32.535 31.823 -0.024 0.000 0.986 8 V HN -0.134 8.040 8.190 -0.027 0.000 0.467 9 I N 7.559 128.111 120.570 -0.031 0.000 2.307 9 I HA 0.217 4.548 4.170 -0.055 -0.193 0.287 9 I C -1.639 174.459 176.117 -0.032 0.000 1.054 9 I CA -0.952 60.325 61.300 -0.038 0.000 1.218 9 I CB 0.461 38.446 38.000 -0.024 0.000 1.398 9 I HN 0.453 8.650 8.210 -0.021 0.000 0.475 10 L N 9.154 130.340 121.223 -0.061 0.000 2.259 10 L HA 0.558 5.051 4.340 -0.006 -0.157 0.288 10 L C -2.324 174.522 176.870 -0.039 0.000 1.051 10 L CA -1.748 53.061 54.840 -0.051 0.000 0.824 10 L CB 1.824 43.814 42.059 -0.114 0.000 1.206 10 L HN 0.532 8.708 8.230 -0.090 0.000 0.429 11 A N 6.943 129.783 122.820 0.032 0.000 2.290 11 A HA 0.973 5.309 4.320 0.027 0.000 0.310 11 A C -0.450 177.205 177.584 0.118 0.000 1.202 11 A CA -1.732 50.336 52.037 0.051 0.000 0.837 11 A CB 2.717 21.744 19.000 0.046 0.000 1.139 11 A HN 0.724 8.907 8.150 0.055 0.000 0.509 12 T N -1.743 112.872 114.554 0.102 0.000 2.975 12 T HA 0.320 4.906 4.350 0.257 -0.082 0.257 12 T C 0.379 175.112 174.700 0.056 0.000 1.003 12 T CA -1.375 60.812 62.100 0.145 0.000 0.932 12 T CB 2.339 71.281 68.868 0.125 0.000 1.087 12 T HN 0.117 8.401 8.240 0.073 0.000 0.512 13 G N 1.540 110.360 108.800 0.033 0.000 2.250 13 G HA2 -0.209 4.015 3.960 -0.001 0.000 0.189 13 G HA3 -0.209 4.007 3.960 0.027 -0.239 0.189 13 G C -1.575 173.337 174.900 0.020 0.000 1.298 13 G CA -0.616 44.493 45.100 0.015 0.000 1.246 13 G HN -0.702 7.615 8.290 0.046 0.000 0.513 14 G N -0.420 108.391 108.800 0.018 0.000 2.746 14 G HA2 -0.291 3.763 3.960 0.066 0.000 0.685 14 G HA3 -0.291 3.704 3.960 0.058 0.000 0.685 14 G C 0.926 175.887 174.900 0.102 0.000 1.350 14 G CA -0.350 44.786 45.100 0.060 0.000 0.837 14 G HN -0.193 8.102 8.290 0.009 0.000 0.564 15 T N 2.018 116.661 114.554 0.149 0.000 2.849 15 T HA -0.350 4.132 4.350 0.220 0.000 0.270 15 T C 2.202 176.922 174.700 0.033 0.000 1.066 15 T CA 4.322 66.514 62.100 0.153 0.000 1.130 15 T CB -0.258 68.740 68.868 0.217 0.000 0.864 15 T HN 0.439 8.774 8.240 0.158 0.000 0.481 16 I N -0.143 120.456 120.570 0.049 0.000 2.335 16 I HA -0.344 3.828 4.170 0.003 0.000 0.251 16 I C 0.113 176.235 176.117 0.009 0.000 1.129 16 I CA 2.425 63.738 61.300 0.022 0.000 1.402 16 I CB -0.036 37.987 38.000 0.040 0.000 1.069 16 I HN 0.026 8.261 8.210 0.076 0.020 0.424 17 A N -3.046 119.789 122.820 0.025 0.000 2.460 17 A HA 0.172 4.498 4.320 0.011 0.000 0.258 17 A C -0.892 176.708 177.584 0.026 0.000 1.300 17 A CA -1.431 50.619 52.037 0.021 0.000 0.913 17 A CB 0.705 19.723 19.000 0.030 0.000 1.031 17 A HN -0.612 7.425 8.150 0.040 0.137 0.512 18 G N -2.112 106.698 108.800 0.016 0.000 2.448 18 G HA2 0.329 4.313 3.960 0.040 0.000 0.285 18 G HA3 0.329 4.509 3.960 0.092 -0.165 0.285 18 G C -2.220 172.666 174.900 -0.024 0.000 1.176 18 G CA -0.765 44.356 45.100 0.035 0.000 0.852 18 G HN -0.290 7.807 8.290 -0.006 0.190 0.530 19 S N 0.753 116.474 115.700 0.035 0.000 2.541 19 S HA 0.425 4.881 4.470 -0.023 0.000 0.280 19 S C -2.084 172.554 174.600 0.062 0.000 1.112 19 S CA -1.046 57.163 58.200 0.016 0.000 0.925 19 S CB 2.338 65.553 63.200 0.025 0.000 1.067 19 S HN -0.306 8.064 8.310 0.101 0.000 0.479 20 A N 3.717 126.558 122.820 0.035 0.000 2.479 20 A HA 0.596 4.969 4.320 0.088 0.000 0.296 20 A C -1.238 176.365 177.584 0.032 0.000 1.121 20 A CA -0.945 51.131 52.037 0.065 0.000 0.743 20 A CB 2.524 21.576 19.000 0.087 0.000 1.323 20 A HN 0.149 8.300 8.150 0.001 0.000 0.415 21 A N -0.346 122.494 122.820 0.035 0.000 2.119 21 A HA -0.123 4.208 4.320 0.018 0.000 0.216 21 A C -0.091 177.502 177.584 0.015 0.000 1.152 21 A CA 1.544 53.594 52.037 0.022 0.000 0.708 21 A CB 0.206 19.219 19.000 0.022 0.000 0.805 21 A HN 0.634 8.811 8.150 0.045 0.000 0.460 22 T N -5.968 108.595 114.554 0.016 0.000 2.896 22 T HA 0.156 4.509 4.350 0.006 0.000 0.297 22 T C 1.130 175.832 174.700 0.004 0.000 1.108 22 T CA -2.207 59.898 62.100 0.009 0.000 1.004 22 T CB 2.244 71.119 68.868 0.012 0.000 1.159 22 T HN -0.914 7.297 8.240 0.023 0.042 0.499 23 G N 0.302 109.100 108.800 -0.002 0.000 2.509 23 G HA2 -0.114 3.840 3.960 -0.009 0.000 0.218 23 G HA3 -0.114 4.046 3.960 -0.017 -0.210 0.218 23 G C 0.699 175.595 174.900 -0.006 0.000 1.124 23 G CA 1.402 46.496 45.100 -0.009 0.000 0.776 23 G HN 0.441 8.730 8.290 -0.001 0.000 0.547 24 T N -2.945 111.612 114.554 0.004 0.000 3.081 24 T HA -0.154 4.200 4.350 0.006 0.000 0.250 24 T C -0.248 174.466 174.700 0.022 0.000 1.100 24 T CA 0.512 62.618 62.100 0.010 0.000 1.038 24 T CB 0.080 68.954 68.868 0.011 0.000 0.962 24 T HN -0.758 7.433 8.240 0.006 0.052 0.516 25 Q N 3.530 123.348 119.800 0.031 0.000 2.344 25 Q HA -0.052 4.330 4.340 0.070 0.000 0.253 25 Q C -0.386 175.665 176.000 0.085 0.000 1.050 25 Q CA 0.314 56.158 55.803 0.068 0.000 0.912 25 Q CB -0.039 28.750 28.738 0.086 0.000 1.258 25 Q HN -0.803 7.437 8.270 0.023 0.043 0.443 26 T N 3.602 118.222 114.554 0.111 0.000 3.040 26 T HA 0.172 4.543 4.350 0.036 0.000 0.266 26 T C -0.641 174.252 174.700 0.321 0.000 1.005 26 T CA -1.200 60.974 62.100 0.124 0.000 0.906 26 T CB 0.807 69.709 68.868 0.056 0.000 1.082 26 T HN -0.142 8.158 8.240 0.100 0.000 0.531 27 T N -1.826 112.903 114.554 0.291 0.000 2.903 27 T HA 0.098 4.563 4.350 0.191 0.000 0.299 27 T C -0.303 174.429 174.700 0.054 0.000 1.093 27 T CA -1.148 61.051 62.100 0.165 0.000 1.002 27 T CB 2.734 71.642 68.868 0.065 0.000 1.127 27 T HN -0.787 7.589 8.240 0.226 0.000 0.488 28 G N 0.056 108.732 108.800 -0.207 0.000 2.162 28 G HA2 -0.245 3.663 3.960 -0.087 0.000 0.260 28 G HA3 -0.245 3.580 3.960 -0.224 0.000 0.260 28 G C -1.117 173.663 174.900 -0.199 0.000 0.976 28 G CA 0.337 45.320 45.100 -0.195 0.000 0.655 28 G HN 0.113 8.221 8.290 -0.303 0.000 0.533 29 Y N -4.184 116.118 120.300 0.003 0.000 2.344 29 Y HA -0.093 4.459 4.550 0.003 0.000 0.330 29 Y C -1.221 174.681 175.900 0.004 0.000 1.330 29 Y CA -3.146 54.956 58.100 0.004 0.000 1.479 29 Y CB 0.926 39.390 38.460 0.007 0.000 1.428 29 Y HN -0.871 6.821 8.280 -0.904 0.045 0.544 30 K N 1.943 122.483 120.400 0.234 0.000 2.263 30 K HA 0.124 4.474 4.320 0.050 0.000 0.282 30 K C -1.245 175.499 176.600 0.239 0.000 1.089 30 K CA -0.969 55.404 56.287 0.144 0.000 0.907 30 K CB 0.304 32.859 32.500 0.091 0.000 1.148 30 K HN -0.118 8.303 8.250 0.284 0.000 0.470 31 A N 5.334 128.261 122.820 0.179 0.000 2.351 31 A HA -0.083 4.389 4.320 0.253 0.000 0.257 31 A C 0.160 177.800 177.584 0.093 0.000 1.087 31 A CA 0.466 52.614 52.037 0.185 0.000 0.798 31 A CB 0.377 19.471 19.000 0.156 0.000 1.033 31 A HN 0.336 8.536 8.150 0.083 0.000 0.488 32 G N 0.530 109.375 108.800 0.075 0.000 2.246 32 G HA2 -0.339 3.640 3.960 0.033 0.000 0.273 32 G HA3 -0.339 3.754 3.960 0.039 -0.110 0.273 32 G C -0.890 174.032 174.900 0.037 0.000 1.055 32 G CA 0.637 45.763 45.100 0.043 0.000 0.851 32 G HN -0.013 8.329 8.290 0.085 0.000 0.500 33 A N -1.305 121.541 122.820 0.044 0.000 2.063 33 A HA 0.035 4.372 4.320 0.028 0.000 0.211 33 A C -0.177 177.420 177.584 0.023 0.000 1.177 33 A CA 0.722 52.779 52.037 0.033 0.000 0.759 33 A CB 1.516 20.542 19.000 0.043 0.000 0.857 33 A HN -0.294 7.888 8.150 0.054 0.000 0.468 34 L N -1.007 120.229 121.223 0.021 0.000 2.322 34 L HA 0.089 4.435 4.340 0.012 0.000 0.279 34 L C 0.080 176.958 176.870 0.014 0.000 1.036 34 L CA -1.109 53.740 54.840 0.014 0.000 0.807 34 L CB 1.672 43.737 42.059 0.009 0.000 1.226 34 L HN -0.665 7.579 8.230 0.024 0.000 0.433 35 G N -0.423 108.384 108.800 0.010 0.000 2.537 35 G HA2 0.151 4.117 3.960 0.009 0.000 0.273 35 G HA3 0.151 4.236 3.960 0.014 -0.116 0.273 35 G C -0.228 174.678 174.900 0.011 0.000 1.189 35 G CA -1.160 43.947 45.100 0.011 0.000 0.881 35 G HN -0.155 8.140 8.290 0.008 0.000 0.535 36 V N 0.913 120.836 119.914 0.014 0.000 2.392 36 V HA -0.321 3.806 4.120 0.012 0.000 0.249 36 V C 0.908 177.005 176.094 0.006 0.000 1.059 36 V CA 2.872 65.179 62.300 0.012 0.000 1.051 36 V CB 0.121 31.953 31.823 0.015 0.000 0.658 36 V HN -0.017 8.478 8.190 0.016 -0.295 0.455 37 D N -1.727 118.677 120.400 0.005 0.000 2.178 37 D HA -0.210 4.432 4.640 0.002 0.000 0.202 37 D C 2.190 178.490 176.300 0.001 0.000 0.974 37 D CA 3.702 57.704 54.000 0.003 0.000 0.841 37 D CB -0.948 39.854 40.800 0.002 0.000 0.953 37 D HN 0.472 8.846 8.370 0.007 0.000 0.478 38 T N 3.028 117.583 114.554 0.002 0.000 2.788 38 T HA -0.289 4.060 4.350 -0.000 0.000 0.268 38 T C 1.822 176.521 174.700 -0.001 0.000 1.044 38 T CA 4.416 66.517 62.100 0.000 0.000 1.139 38 T CB -0.229 68.640 68.868 0.001 0.000 0.867 38 T HN -0.738 7.504 8.240 0.003 0.000 0.454 39 L N 0.107 121.330 121.223 0.000 0.000 2.017 39 L HA -0.416 3.922 4.340 -0.003 0.000 0.208 39 L C 1.770 178.638 176.870 -0.003 0.000 1.073 39 L CA 2.967 57.807 54.840 -0.001 0.000 0.745 39 L CB -0.521 41.539 42.059 0.001 0.000 0.894 39 L HN -0.866 7.366 8.230 0.002 0.000 0.432 40 I N -2.223 118.345 120.570 -0.003 0.000 2.226 40 I HA -0.532 3.635 4.170 -0.005 0.000 0.245 40 I C 2.437 178.552 176.117 -0.004 0.000 1.100 40 I CA 3.796 65.094 61.300 -0.004 0.000 1.374 40 I CB -0.255 37.743 38.000 -0.003 0.000 1.057 40 I HN -0.361 7.848 8.210 -0.001 0.000 0.413 41 N N 0.100 118.798 118.700 -0.003 0.000 2.453 41 N HA -0.193 4.545 4.740 -0.004 0.000 0.183 41 N C 0.965 176.473 175.510 -0.004 0.000 1.041 41 N CA 2.516 55.564 53.050 -0.003 0.000 0.900 41 N CB -0.664 37.821 38.487 -0.003 0.000 0.961 41 N HN -0.085 8.293 8.380 -0.003 0.000 0.443 42 A N -1.459 121.358 122.820 -0.005 0.000 2.119 42 A HA -0.052 4.264 4.320 -0.006 0.000 0.217 42 A C -0.148 177.432 177.584 -0.007 0.000 1.153 42 A CA 1.462 53.495 52.037 -0.007 0.000 0.692 42 A CB 0.530 19.525 19.000 -0.008 0.000 0.799 42 A HN -0.373 7.735 8.150 -0.005 0.040 0.458 43 V N -8.333 111.577 119.914 -0.006 0.000 2.464 43 V HA 0.706 4.934 4.120 -0.007 -0.112 0.255 43 V C -2.384 173.706 176.094 -0.006 0.000 0.946 43 V CA -3.748 58.548 62.300 -0.007 0.000 0.988 43 V CB 0.355 32.173 31.823 -0.008 0.000 1.210 43 V HN -0.539 7.484 8.190 -0.006 0.163 0.523 44 P HA 0.068 4.485 4.420 -0.005 0.000 0.230 44 P C 1.397 178.693 177.300 -0.005 0.000 1.158 44 P CA 1.397 64.494 63.100 -0.005 0.000 0.769 44 P CB 0.101 31.799 31.700 -0.005 0.000 0.807 45 E N -1.054 119.142 120.200 -0.006 0.000 2.233 45 E HA -0.271 4.076 4.350 -0.006 0.000 0.199 45 E C 2.425 179.021 176.600 -0.007 0.000 1.004 45 E CA 3.168 59.565 56.400 -0.006 0.000 0.819 45 E CB -1.059 28.637 29.700 -0.007 0.000 0.738 45 E HN 0.531 8.853 8.360 -0.006 0.034 0.478 46 V N -0.313 119.596 119.914 -0.007 0.000 2.594 46 V HA -0.361 nan 4.120 nan 0.000 0.253 46 V C 0.419 176.509 176.094 -0.007 0.000 1.069 46 V CA 3.130 65.425 62.300 -0.008 0.000 1.082 46 V CB -0.268 31.549 31.823 -0.009 0.000 0.680 46 V HN 0.070 8.106 8.190 -0.007 0.150 0.469 47 K N -4.004 116.392 120.400 -0.006 0.000 2.439 47 K HA -0.099 4.389 4.320 -0.006 -0.171 0.197 47 K C 1.260 177.857 176.600 -0.006 0.000 1.041 47 K CA 1.900 58.184 56.287 -0.006 0.000 0.970 47 K CB -0.211 32.286 32.500 -0.005 0.000 0.773 47 K HN -0.455 7.642 8.250 -0.006 0.150 0.479 48 K N -3.409 116.988 120.400 -0.006 0.000 2.365 48 K HA -0.110 4.207 4.320 -0.005 0.000 0.197 48 K C 0.977 177.573 176.600 -0.007 0.000 1.042 48 K CA 1.318 57.601 56.287 -0.006 0.000 0.987 48 K CB 0.478 32.975 32.500 -0.006 0.000 0.779 48 K HN -0.603 7.600 8.250 -0.006 0.044 0.484 49 L N -3.667 117.552 121.223 -0.007 0.000 2.354 49 L HA -0.023 4.312 4.340 -0.008 0.000 0.212 49 L C -0.879 175.987 176.870 -0.007 0.000 1.091 49 L CA 0.536 55.371 54.840 -0.008 0.000 0.828 49 L CB 1.164 43.217 42.059 -0.009 0.000 0.973 49 L HN -0.667 7.401 8.230 -0.007 0.157 0.461 50 A N -5.885 116.931 122.820 -0.007 0.000 2.608 50 A HA 0.200 4.607 4.320 -0.006 -0.090 0.292 50 A C -2.739 174.841 177.584 -0.006 0.000 1.066 50 A CA -0.790 51.243 52.037 -0.006 0.000 0.676 50 A CB 2.647 21.642 19.000 -0.008 0.000 1.277 50 A HN -0.726 7.420 8.150 -0.007 0.000 0.413 51 N N 1.271 119.967 118.700 -0.006 0.000 2.415 51 N HA 0.262 4.999 4.740 -0.005 0.000 0.246 51 N C -1.305 174.202 175.510 -0.006 0.000 1.078 51 N CA -0.529 52.518 53.050 -0.005 0.000 0.942 51 N CB 0.496 38.980 38.487 -0.004 0.000 1.140 51 N HN -0.115 8.262 8.380 -0.005 0.000 0.501 52 V N -1.282 118.629 119.914 -0.006 0.000 2.630 52 V HA 1.017 5.371 4.120 -0.009 -0.240 0.305 52 V C -0.435 175.655 176.094 -0.006 0.000 1.046 52 V CA -2.915 59.380 62.300 -0.008 0.000 0.934 52 V CB 1.950 33.768 31.823 -0.009 0.000 1.003 52 V HN 0.118 8.304 8.190 -0.006 0.000 0.451 53 K N 5.370 125.766 120.400 -0.007 0.000 2.507 53 K HA 0.350 4.669 4.320 -0.002 0.000 0.252 53 K C -0.931 175.667 176.600 -0.003 0.000 0.943 53 K CA -0.648 55.637 56.287 -0.003 0.000 0.808 53 K CB 3.710 36.209 32.500 -0.002 0.000 1.142 53 K HN 0.209 8.454 8.250 -0.009 0.000 0.426 54 G N 3.502 112.302 108.800 0.000 0.000 2.415 54 G HA2 0.238 4.201 3.960 0.004 0.000 0.269 54 G HA3 0.238 4.376 3.960 0.000 -0.178 0.269 54 G C -1.545 173.361 174.900 0.011 0.000 1.209 54 G CA -0.460 44.642 45.100 0.003 0.000 0.835 54 G HN 0.366 8.657 8.290 0.001 0.000 0.534 55 E N 3.851 124.062 120.200 0.019 0.000 2.260 55 E HA 0.231 4.599 4.350 0.031 0.000 0.266 55 E C -1.701 174.935 176.600 0.060 0.000 0.887 55 E CA -1.202 55.220 56.400 0.037 0.000 0.777 55 E CB 3.391 33.116 29.700 0.042 0.000 1.205 55 E HN 0.107 8.477 8.360 0.016 0.000 0.414 56 Q N 7.944 127.777 119.800 0.056 0.000 2.423 56 Q HA 0.006 4.393 4.340 0.078 0.000 0.235 56 Q C -0.969 175.090 176.000 0.098 0.000 1.100 56 Q CA 0.140 55.983 55.803 0.067 0.000 0.908 56 Q CB -0.487 28.269 28.738 0.030 0.000 1.312 56 Q HN 0.551 8.846 8.270 0.041 0.000 0.497 57 F N 9.135 129.079 119.950 -0.011 0.000 2.149 57 F HA -0.130 4.393 4.527 -0.008 0.000 0.294 57 F C -0.418 175.377 175.800 -0.008 0.000 1.095 57 F CA 1.837 59.832 58.000 -0.008 0.000 1.276 57 F CB 1.331 40.327 39.000 -0.007 0.000 1.023 57 F HN 0.115 8.576 8.300 0.269 0.000 0.480 58 S N -4.584 111.196 115.700 0.132 0.000 2.672 58 S HA 0.037 4.458 4.470 -0.081 0.000 0.271 58 S C -2.205 172.429 174.600 0.056 0.000 1.171 58 S CA -0.697 57.514 58.200 0.018 0.000 0.817 58 S CB 2.249 65.478 63.200 0.049 0.000 1.150 58 S HN -0.563 7.903 8.310 0.260 0.000 0.478 59 N N -0.127 118.585 118.700 0.020 0.000 2.732 59 N HA 0.261 5.105 4.740 0.030 -0.086 0.235 59 N C -1.696 173.819 175.510 0.008 0.000 1.466 59 N CA 0.119 53.180 53.050 0.019 0.000 0.751 59 N CB 0.721 39.217 38.487 0.014 0.000 1.317 59 N HN 0.180 8.560 8.380 0.000 0.000 0.525 60 M N -1.887 117.714 119.600 0.002 0.000 2.644 60 M HA 0.487 4.965 4.480 -0.004 0.000 0.304 60 M C -2.187 174.101 176.300 -0.019 0.000 1.215 60 M CA -1.407 53.887 55.300 -0.009 0.000 0.871 60 M CB 4.275 36.867 32.600 -0.013 0.000 1.740 60 M HN -0.153 8.139 8.290 0.003 0.000 0.464 61 A N 0.089 122.903 122.820 -0.010 0.000 2.440 61 A HA 0.127 4.452 4.320 0.008 0.000 0.251 61 A C 1.101 178.669 177.584 -0.027 0.000 1.089 61 A CA -0.243 51.790 52.037 -0.006 0.000 0.779 61 A CB 0.284 19.281 19.000 -0.005 0.000 1.022 61 A HN 0.413 8.559 8.150 -0.007 0.000 0.492 62 S N 3.961 119.645 115.700 -0.027 0.000 2.481 62 S HA -0.332 4.071 4.470 -0.111 0.000 0.231 62 S C 1.145 175.759 174.600 0.023 0.000 0.996 62 S CA 2.573 60.748 58.200 -0.042 0.000 0.942 62 S CB -0.506 62.688 63.200 -0.011 0.000 0.768 62 S HN 0.511 8.821 8.310 0.001 0.000 0.520 63 E N 0.602 120.815 120.200 0.021 0.000 2.333 63 E HA -0.223 4.145 4.350 0.030 0.000 0.198 63 E C 0.305 176.911 176.600 0.009 0.000 1.007 63 E CA 2.014 58.424 56.400 0.017 0.000 0.845 63 E CB -1.290 28.410 29.700 0.001 0.000 0.766 63 E HN 0.544 8.888 8.360 0.017 0.027 0.507 64 N N -1.537 117.164 118.700 0.001 0.000 2.280 64 N HA 0.030 4.770 4.740 0.001 0.000 0.192 64 N C -0.561 174.953 175.510 0.007 0.000 1.109 64 N CA -0.125 52.925 53.050 -0.000 0.000 0.855 64 N CB 0.960 39.442 38.487 -0.008 0.000 0.974 64 N HN -0.404 7.920 8.380 -0.004 0.053 0.482 65 M N 1.795 121.405 119.600 0.016 0.000 2.239 65 M HA -0.109 4.392 4.480 0.036 0.000 0.348 65 M C -0.881 175.441 176.300 0.036 0.000 1.239 65 M CA 0.619 55.942 55.300 0.037 0.000 1.114 65 M CB 0.611 33.254 32.600 0.072 0.000 1.641 65 M HN -0.623 7.559 8.290 0.014 0.116 0.453 66 T N 1.774 116.342 114.554 0.025 0.000 2.924 66 T HA 0.276 4.632 4.350 0.009 0.000 0.291 66 T C 0.431 175.114 174.700 -0.029 0.000 1.045 66 T CA -1.952 60.151 62.100 0.005 0.000 1.015 66 T CB 3.104 71.975 68.868 0.005 0.000 1.103 66 T HN -0.338 7.921 8.240 0.033 0.000 0.496 67 G N 0.869 109.642 108.800 -0.045 0.000 2.442 67 G HA2 -0.346 3.573 3.960 -0.068 0.000 0.219 67 G HA3 -0.346 3.490 3.960 -0.206 0.000 0.219 67 G C 0.745 175.572 174.900 -0.121 0.000 1.141 67 G CA 2.043 47.075 45.100 -0.114 0.000 0.763 67 G HN 0.528 8.807 8.290 -0.019 0.000 0.554 68 D N 0.047 120.422 120.400 -0.042 0.000 2.144 68 D HA -0.221 nan 4.640 nan 0.000 0.199 68 D C 1.819 178.114 176.300 -0.008 0.000 0.984 68 D CA 2.568 56.557 54.000 -0.018 0.000 0.834 68 D CB -1.103 39.699 40.800 0.003 0.000 0.955 68 D HN -0.105 8.250 8.370 -0.024 0.000 0.465 69 V N 0.402 120.321 119.914 0.009 0.000 2.488 69 V HA -0.265 3.924 4.120 0.115 0.000 0.246 69 V C 2.026 178.180 176.094 0.100 0.000 1.046 69 V CA 3.020 65.376 62.300 0.094 0.000 1.053 69 V CB -0.251 31.640 31.823 0.113 0.000 0.679 69 V HN -0.882 7.294 8.190 -0.002 0.013 0.458 70 V N 0.377 120.245 119.914 -0.077 0.000 2.407 70 V HA -0.409 3.644 4.120 -0.112 0.000 0.248 70 V C 2.236 178.126 176.094 -0.339 0.000 1.055 70 V CA 3.764 65.912 62.300 -0.253 0.000 1.049 70 V CB -1.281 30.252 31.823 -0.485 0.000 0.662 70 V HN -0.069 8.062 8.190 -0.099 0.000 0.455 71 L N 0.122 121.158 121.223 -0.312 0.000 1.989 71 L HA -0.434 nan 4.340 nan 0.000 0.211 71 L C 1.444 178.347 176.870 0.056 0.000 1.071 71 L CA 3.888 58.681 54.840 -0.078 0.000 0.749 71 L CB -0.445 41.605 42.059 -0.014 0.000 0.890 71 L HN -0.046 7.993 8.230 -0.304 0.009 0.431 72 K N -1.873 118.588 120.400 0.102 0.000 2.097 72 K HA -0.333 4.246 4.320 0.158 -0.163 0.206 72 K C 2.657 179.396 176.600 0.231 0.000 1.049 72 K CA 3.111 59.520 56.287 0.203 0.000 0.933 72 K CB -0.293 32.361 32.500 0.256 0.000 0.717 72 K HN -0.804 7.497 8.250 0.084 0.000 0.442 73 L N -0.915 120.366 121.223 0.097 0.000 2.012 73 L HA -0.407 3.547 4.340 -0.644 0.000 0.210 73 L C 1.462 178.267 176.870 -0.109 0.000 1.073 73 L CA 3.202 57.854 54.840 -0.314 0.000 0.748 73 L CB -0.257 41.541 42.059 -0.435 0.000 0.891 73 L HN -0.202 8.040 8.230 0.144 0.074 0.431 74 S N -1.045 114.670 115.700 0.024 0.000 2.368 74 S HA -0.426 nan 4.470 nan 0.000 0.225 74 S C 2.297 176.945 174.600 0.081 0.000 1.030 74 S CA 3.296 61.561 58.200 0.108 0.000 0.999 74 S CB -0.860 62.507 63.200 0.279 0.000 0.844 74 S HN -0.016 8.309 8.310 0.025 0.000 0.459 75 Q N 2.385 122.239 119.800 0.091 0.000 2.084 75 Q HA -0.416 3.969 4.340 0.074 0.000 0.202 75 Q C 2.437 178.475 176.000 0.062 0.000 0.978 75 Q CA 3.410 59.261 55.803 0.080 0.000 0.844 75 Q CB -0.198 28.595 28.738 0.092 0.000 0.898 75 Q HN -0.277 8.055 8.270 0.104 0.000 0.426 76 R N 0.055 120.595 120.500 0.068 0.000 2.081 76 R HA -0.232 4.150 4.340 0.069 0.000 0.235 76 R C 2.358 178.663 176.300 0.009 0.000 1.131 76 R CA 2.120 58.255 56.100 0.058 0.000 0.960 76 R CB -0.701 29.665 30.300 0.110 0.000 0.856 76 R HN -0.280 8.040 8.270 0.082 0.000 0.436 77 V N 0.026 119.924 119.914 -0.027 0.000 2.343 77 V HA -0.563 3.527 4.120 -0.050 0.000 0.247 77 V C 1.897 177.987 176.094 -0.006 0.000 1.051 77 V CA 4.823 67.101 62.300 -0.038 0.000 1.036 77 V CB -0.497 31.289 31.823 -0.061 0.000 0.654 77 V HN -0.016 8.150 8.190 -0.039 0.000 0.451 78 N N -0.839 117.869 118.700 0.013 0.000 2.104 78 N HA -0.401 4.347 4.740 0.013 0.000 0.190 78 N C 2.236 177.754 175.510 0.014 0.000 1.024 78 N CA 3.504 56.564 53.050 0.017 0.000 0.853 78 N CB -0.251 38.253 38.487 0.027 0.000 1.008 78 N HN -0.235 8.158 8.380 0.021 0.000 0.424 79 E N 0.796 121.007 120.200 0.019 0.000 2.051 79 E HA -0.288 nan 4.350 nan 0.000 0.192 79 E C 2.180 178.786 176.600 0.011 0.000 0.991 79 E CA 2.745 59.155 56.400 0.018 0.000 0.799 79 E CB -0.003 29.713 29.700 0.027 0.000 0.748 79 E HN -0.639 7.735 8.360 0.024 0.000 0.449 80 L N -2.109 119.117 121.223 0.006 0.000 2.017 80 L HA -0.408 3.934 4.340 0.003 0.000 0.208 80 L C 2.344 179.212 176.870 -0.004 0.000 1.073 80 L CA 2.886 57.726 54.840 -0.001 0.000 0.745 80 L CB 0.093 42.146 42.059 -0.011 0.000 0.894 80 L HN -0.390 7.843 8.230 0.006 0.000 0.432 81 L N -3.168 118.052 121.223 -0.005 0.000 2.291 81 L HA -0.234 4.102 4.340 -0.007 0.000 0.214 81 L C 2.006 178.875 176.870 -0.001 0.000 1.120 81 L CA 2.130 56.967 54.840 -0.005 0.000 0.799 81 L CB -0.772 41.284 42.059 -0.005 0.000 0.925 81 L HN -0.169 8.058 8.230 -0.005 0.000 0.446 82 A N -3.434 119.387 122.820 0.001 0.000 2.121 82 A HA -0.187 4.134 4.320 0.001 0.000 0.218 82 A C 0.049 177.634 177.584 0.001 0.000 1.154 82 A CA 0.809 52.847 52.037 0.002 0.000 0.679 82 A CB -0.119 18.883 19.000 0.005 0.000 0.795 82 A HN -0.560 7.560 8.150 0.003 0.031 0.458 83 R N -1.222 119.278 120.500 0.001 0.000 2.390 83 R HA 0.019 4.360 4.340 0.001 0.000 0.291 83 R C 0.963 177.262 176.300 -0.001 0.000 1.070 83 R CA -0.302 55.798 56.100 0.001 0.000 1.014 83 R CB 0.395 30.696 30.300 0.001 0.000 1.007 83 R HN -0.787 7.322 8.270 0.001 0.161 0.466 84 D N 2.649 123.048 120.400 -0.001 0.000 2.218 84 D HA -0.239 4.400 4.640 -0.002 0.000 0.204 84 D C 0.089 176.388 176.300 -0.002 0.000 0.976 84 D CA 2.578 56.577 54.000 -0.002 0.000 0.853 84 D CB -0.072 40.727 40.800 -0.001 0.000 0.939 84 D HN 0.452 8.822 8.370 -0.000 0.000 0.481 85 D N -4.594 115.805 120.400 -0.002 0.000 2.319 85 D HA -0.090 4.549 4.640 -0.002 0.000 0.230 85 D C -0.534 175.764 176.300 -0.003 0.000 1.094 85 D CA -0.552 53.447 54.000 -0.002 0.000 0.856 85 D CB -0.722 40.077 40.800 -0.001 0.000 0.915 85 D HN -0.121 8.212 8.370 -0.001 0.036 0.517 86 V N 0.399 120.310 119.914 -0.004 0.000 2.407 86 V HA 0.128 4.244 4.120 -0.007 0.000 0.291 86 V C -1.505 174.585 176.094 -0.007 0.000 1.018 86 V CA -1.250 61.046 62.300 -0.007 0.000 0.842 86 V CB 1.661 33.480 31.823 -0.008 0.000 0.996 86 V HN -0.862 7.248 8.190 -0.004 0.078 0.426 87 D N 6.106 126.501 120.400 -0.007 0.000 2.327 87 D HA 0.073 4.710 4.640 -0.004 0.000 0.205 87 D C -0.524 175.772 176.300 -0.006 0.000 0.989 87 D CA 1.731 55.728 54.000 -0.005 0.000 0.873 87 D CB 1.739 42.537 40.800 -0.003 0.000 0.955 87 D HN 0.435 8.801 8.370 -0.007 0.000 0.515 88 G N -5.050 103.743 108.800 -0.011 0.000 2.523 88 G HA2 0.281 4.234 3.960 -0.012 0.000 0.291 88 G HA3 0.281 4.319 3.960 -0.015 -0.087 0.291 88 G C -3.076 171.806 174.900 -0.030 0.000 1.450 88 G CA 0.243 45.333 45.100 -0.016 0.000 0.790 88 G HN -0.864 7.418 8.290 -0.013 0.000 0.496 89 V N -0.651 119.235 119.914 -0.046 0.000 2.638 89 V HA 0.731 4.987 4.120 -0.067 -0.175 0.306 89 V C -1.642 174.390 176.094 -0.104 0.000 1.052 89 V CA -2.058 60.196 62.300 -0.077 0.000 0.885 89 V CB 3.646 35.410 31.823 -0.098 0.000 0.999 89 V HN 0.153 8.318 8.190 -0.042 0.000 0.424 90 V N 7.403 127.253 119.914 -0.106 0.000 2.394 90 V HA 0.542 4.790 4.120 -0.134 -0.208 0.282 90 V C -1.097 174.884 176.094 -0.189 0.000 1.031 90 V CA -1.670 60.555 62.300 -0.125 0.000 0.881 90 V CB 1.455 33.235 31.823 -0.070 0.000 0.982 90 V HN 0.430 8.567 8.190 -0.088 0.000 0.451 91 I N 8.004 128.389 120.570 -0.308 0.000 2.354 91 I HA 0.540 4.776 4.170 -0.273 -0.230 0.286 91 I C -0.393 175.622 176.117 -0.170 0.000 1.007 91 I CA -1.677 59.395 61.300 -0.380 0.000 1.167 91 I CB 1.581 39.043 38.000 -0.897 0.000 1.320 91 I HN 0.643 8.654 8.210 -0.332 0.000 0.458 92 T N 6.812 121.337 114.554 -0.049 0.000 2.832 92 T HA 0.293 4.849 4.350 0.057 -0.172 0.296 92 T C -0.756 174.032 174.700 0.147 0.000 0.968 92 T CA -1.193 60.934 62.100 0.046 0.000 1.107 92 T CB 0.836 69.721 68.868 0.029 0.000 0.916 92 T HN 0.089 8.293 8.240 -0.061 0.000 0.517 93 H N 6.162 125.283 119.070 0.084 0.000 3.037 93 H HA 0.556 5.185 4.556 0.122 0.000 0.355 93 H C -1.422 173.979 175.328 0.121 0.000 1.263 93 H CA -0.621 55.509 56.048 0.136 0.000 1.129 93 H CB 4.476 34.400 29.762 0.270 0.000 1.861 93 H HN -0.025 8.388 8.280 0.221 0.000 0.546 94 G N -0.387 108.469 108.800 0.093 0.000 2.569 94 G HA2 -0.076 3.944 3.960 0.099 0.000 0.249 94 G HA3 -0.076 3.981 3.960 0.161 0.000 0.249 94 G C -0.159 174.950 174.900 0.350 0.000 1.216 94 G CA -0.047 45.161 45.100 0.180 0.000 0.845 94 G HN 0.501 8.628 8.290 -0.271 0.000 0.568 95 T N -2.518 112.210 114.554 0.290 0.000 2.942 95 T HA -0.224 4.383 4.350 0.429 0.000 0.265 95 T C 1.795 176.714 174.700 0.366 0.000 1.062 95 T CA 2.923 65.264 62.100 0.401 0.000 1.139 95 T CB -0.194 68.934 68.868 0.432 0.000 0.883 95 T HN 0.356 8.743 8.240 0.244 0.000 0.468 96 D N 2.374 122.911 120.400 0.228 0.000 2.123 96 D HA -0.203 4.504 4.640 0.112 0.000 0.196 96 D C 0.968 177.358 176.300 0.150 0.000 0.992 96 D CA 2.885 56.972 54.000 0.145 0.000 0.833 96 D CB -0.411 40.441 40.800 0.088 0.000 0.954 96 D HN -0.181 8.312 8.370 0.206 0.000 0.455 97 T N -7.426 107.251 114.554 0.207 0.000 3.200 97 T HA 0.177 4.601 4.350 0.124 0.000 0.284 97 T C 0.346 175.143 174.700 0.162 0.000 1.009 97 T CA -1.626 60.583 62.100 0.181 0.000 0.907 97 T CB 1.227 70.195 68.868 0.167 0.000 1.120 97 T HN -0.558 7.834 8.240 0.254 0.000 0.534 98 V N 3.338 123.333 119.914 0.134 0.000 2.469 98 V HA -0.463 3.218 4.120 -0.732 0.000 0.251 98 V C 0.054 175.982 176.094 -0.277 0.000 1.064 98 V CA 3.492 65.628 62.300 -0.273 0.000 1.066 98 V CB -0.101 31.611 31.823 -0.185 0.000 0.667 98 V HN -0.799 7.540 8.190 0.249 0.000 0.461 99 E N -2.540 117.654 120.200 -0.011 0.000 2.153 99 E HA -0.349 4.026 4.350 0.042 0.000 0.194 99 E C 2.069 178.752 176.600 0.138 0.000 0.988 99 E CA 3.135 59.583 56.400 0.080 0.000 0.811 99 E CB -1.004 28.760 29.700 0.107 0.000 0.746 99 E HN 0.575 8.967 8.360 0.091 0.022 0.466 100 E N 0.773 121.017 120.200 0.073 0.000 2.028 100 E HA -0.262 4.245 4.350 0.262 0.000 0.190 100 E C 2.406 179.043 176.600 0.061 0.000 0.984 100 E CA 2.825 59.308 56.400 0.138 0.000 0.800 100 E CB 0.096 29.861 29.700 0.109 0.000 0.758 100 E HN -0.634 7.729 8.360 0.040 0.020 0.448 101 S N 0.990 116.629 115.700 -0.102 0.000 2.368 101 S HA -0.351 4.104 4.470 -0.024 0.000 0.225 101 S C 2.075 176.480 174.600 -0.325 0.000 1.030 101 S CA 3.258 61.359 58.200 -0.165 0.000 0.999 101 S CB -0.054 63.011 63.200 -0.226 0.000 0.844 101 S HN -0.512 7.725 8.310 -0.121 0.000 0.459 102 A N 1.022 123.376 122.820 -0.777 0.000 1.898 102 A HA -0.295 3.331 4.320 -1.156 0.000 0.216 102 A C 1.297 178.781 177.584 -0.167 0.000 1.181 102 A CA 2.973 54.492 52.037 -0.863 0.000 0.620 102 A CB -0.627 17.803 19.000 -0.950 0.000 0.819 102 A HN 0.091 7.782 8.150 -0.766 0.000 0.442 103 Y N -0.113 120.058 120.300 -0.216 0.000 2.224 103 Y HA -0.363 4.040 4.550 -0.245 0.000 0.289 103 Y C 1.434 177.325 175.900 -0.015 0.000 1.146 103 Y CA 1.947 59.941 58.100 -0.178 0.000 1.182 103 Y CB -0.066 38.209 38.460 -0.308 0.000 0.983 103 Y HN -0.712 7.580 8.280 0.020 0.000 0.524 104 F N -0.046 119.816 119.950 -0.147 0.000 2.069 104 F HA -0.474 3.871 4.527 -0.304 0.000 0.298 104 F C 1.966 177.698 175.800 -0.113 0.000 1.113 104 F CA 4.129 62.018 58.000 -0.185 0.000 1.214 104 F CB 0.123 39.071 39.000 -0.086 0.000 0.978 104 F HN -0.368 8.054 8.300 0.205 0.000 0.474 105 L N -1.994 119.398 121.223 0.282 0.000 2.141 105 L HA -0.336 4.152 4.340 0.248 0.000 0.209 105 L C 2.025 178.972 176.870 0.129 0.000 1.094 105 L CA 2.729 57.711 54.840 0.237 0.000 0.763 105 L CB -0.757 41.500 42.059 0.331 0.000 0.908 105 L HN -0.316 8.086 8.230 0.287 0.000 0.437 106 H N -0.542 118.520 119.070 -0.014 0.000 2.422 106 H HA -0.351 4.209 4.556 0.006 0.000 0.298 106 H C 1.563 176.856 175.328 -0.057 0.000 1.098 106 H CA 4.144 60.174 56.048 -0.029 0.000 1.315 106 H CB 0.140 29.894 29.762 -0.013 0.000 1.382 106 H HN -0.036 8.359 8.280 0.191 0.000 0.523 107 L N -6.980 114.146 121.223 -0.161 0.000 2.477 107 L HA 0.021 4.285 4.340 -0.127 0.000 0.220 107 L C 0.521 177.289 176.870 -0.170 0.000 1.106 107 L CA 1.446 56.144 54.840 -0.237 0.000 0.851 107 L CB 0.171 41.892 42.059 -0.563 0.000 0.994 107 L HN -0.455 7.519 8.230 -0.197 0.138 0.462 108 T N -5.765 108.696 114.554 -0.155 0.000 2.986 108 T HA 0.211 4.505 4.350 -0.093 0.000 0.264 108 T C -0.075 174.619 174.700 -0.011 0.000 0.964 108 T CA -0.565 61.474 62.100 -0.101 0.000 0.895 108 T CB 1.796 70.567 68.868 -0.162 0.000 1.163 108 T HN -0.502 7.494 8.240 -0.123 0.171 0.517 109 V N 4.305 124.226 119.914 0.011 0.000 2.385 109 V HA -0.131 4.160 4.120 0.030 -0.153 0.269 109 V C -1.347 174.752 176.094 0.009 0.000 1.043 109 V CA -0.172 62.144 62.300 0.026 0.000 0.906 109 V CB -0.302 31.549 31.823 0.047 0.000 0.995 109 V HN -0.224 7.970 8.190 0.007 0.000 0.467 110 K N 8.580 128.983 120.400 0.004 0.000 2.765 110 K HA 0.159 4.472 4.320 -0.011 0.000 0.246 110 K C -1.382 175.217 176.600 -0.002 0.000 1.254 110 K CA -2.009 54.274 56.287 -0.007 0.000 1.219 110 K CB -2.373 30.119 32.500 -0.013 0.000 1.747 110 K HN 0.058 8.619 8.250 0.008 -0.307 0.372 111 S N -0.418 115.286 115.700 0.005 0.000 2.556 111 S HA 0.116 4.586 4.470 0.001 0.000 0.271 111 S C -1.280 173.329 174.600 0.015 0.000 1.135 111 S CA -1.215 56.989 58.200 0.006 0.000 0.858 111 S CB 2.307 65.511 63.200 0.006 0.000 1.114 111 S HN -0.552 7.704 8.310 0.011 0.061 0.468 112 D N 2.864 123.270 120.400 0.010 0.000 2.350 112 D HA 0.066 4.723 4.640 0.029 0.000 0.213 112 D C 0.125 176.430 176.300 0.008 0.000 1.031 112 D CA 0.541 54.549 54.000 0.015 0.000 0.861 112 D CB 0.647 41.450 40.800 0.005 0.000 0.926 112 D HN 0.236 8.609 8.370 0.004 0.000 0.520 113 K N 1.250 121.654 120.400 0.005 0.000 2.355 113 K HA 0.031 4.351 4.320 0.001 0.000 0.270 113 K C -2.221 174.383 176.600 0.005 0.000 1.003 113 K CA -0.603 55.686 56.287 0.002 0.000 0.957 113 K CB -0.439 32.060 32.500 -0.001 0.000 0.939 113 K HN -0.735 7.469 8.250 0.005 0.049 0.482 114 P HA -0.097 4.334 4.420 0.019 0.000 0.268 114 P C -1.994 175.308 177.300 0.004 0.000 1.204 114 P CA -0.153 62.956 63.100 0.014 0.000 0.768 114 P CB 0.391 32.105 31.700 0.023 0.000 0.842 115 V N 4.989 124.913 119.914 0.017 0.000 2.349 115 V HA 0.441 4.696 4.120 -0.044 -0.161 0.284 115 V C -1.372 174.744 176.094 0.036 0.000 1.014 115 V CA -0.748 61.553 62.300 0.001 0.000 0.826 115 V CB 1.075 32.919 31.823 0.035 0.000 1.009 115 V HN 0.425 8.635 8.190 0.032 0.000 0.431 116 V N 7.832 127.731 119.914 -0.025 0.000 2.349 116 V HA 0.366 4.687 4.120 0.089 -0.148 0.284 116 V C -0.818 175.256 176.094 -0.034 0.000 1.014 116 V CA -1.796 60.517 62.300 0.021 0.000 0.826 116 V CB 0.513 32.342 31.823 0.009 0.000 1.009 116 V HN 0.452 8.593 8.190 -0.082 0.000 0.431 117 F N 8.366 128.279 119.950 -0.062 0.000 2.471 117 F HA 0.281 4.954 4.527 -0.063 -0.184 0.353 117 F C -0.868 174.878 175.800 -0.090 0.000 1.113 117 F CA 1.010 58.960 58.000 -0.085 0.000 1.262 117 F CB 0.999 39.914 39.000 -0.142 0.000 1.146 117 F HN 0.536 9.069 8.300 0.388 0.000 0.578 118 V N 1.459 121.426 119.914 0.089 0.000 3.007 118 V HA 0.895 5.183 4.120 -0.005 -0.171 0.311 118 V C -2.556 173.571 176.094 0.056 0.000 1.120 118 V CA -3.113 59.204 62.300 0.027 0.000 0.980 118 V CB 4.702 36.526 31.823 0.002 0.000 1.033 118 V HN 0.246 8.489 8.190 0.090 0.000 0.429 119 A N 5.202 128.035 122.820 0.021 0.000 2.568 119 A HA 0.681 5.157 4.320 0.093 -0.100 0.291 119 A C -2.684 174.935 177.584 0.058 0.000 1.159 119 A CA -1.287 50.789 52.037 0.064 0.000 0.679 119 A CB 3.360 22.402 19.000 0.070 0.000 1.285 119 A HN -0.181 7.963 8.150 -0.010 0.000 0.428 120 A N -3.242 119.632 122.820 0.091 0.000 2.520 120 A HA 0.401 4.901 4.320 0.074 -0.135 0.298 120 A C -1.502 176.147 177.584 0.109 0.000 1.051 120 A CA -0.602 51.480 52.037 0.076 0.000 0.690 120 A CB 3.136 22.153 19.000 0.029 0.000 1.281 120 A HN 0.386 8.603 8.150 0.112 0.000 0.402 121 M N -0.371 119.291 119.600 0.104 0.000 2.514 121 M HA 0.064 4.630 4.480 0.143 0.000 0.258 121 M C 0.526 176.857 176.300 0.051 0.000 1.119 121 M CA -0.037 55.328 55.300 0.108 0.000 1.111 121 M CB 0.503 33.169 32.600 0.109 0.000 1.390 121 M HN 0.167 8.951 8.290 0.092 -0.440 0.475 122 R N -1.391 119.099 120.500 -0.015 0.000 2.637 122 R HA 0.450 4.710 4.340 -0.133 0.000 0.291 122 R C -2.699 173.472 176.300 -0.215 0.000 0.963 122 R CA -3.172 52.861 56.100 -0.111 0.000 0.901 122 R CB 1.106 31.364 30.300 -0.070 0.000 1.160 122 R HN -0.527 8.028 8.270 -0.002 -0.286 0.457 123 P HA 0.193 4.635 4.420 -0.364 -0.240 0.272 123 P C 0.471 177.647 177.300 -0.207 0.000 1.240 123 P CA -0.807 62.035 63.100 -0.429 0.000 0.791 123 P CB 0.837 32.089 31.700 -0.748 0.000 0.978 124 A N 0.144 122.884 122.820 -0.134 0.000 2.019 124 A HA -0.219 4.062 4.320 -0.065 0.000 0.219 124 A C 0.889 178.434 177.584 -0.066 0.000 1.164 124 A CA 2.507 54.499 52.037 -0.075 0.000 0.644 124 A CB -0.216 18.757 19.000 -0.045 0.000 0.805 124 A HN 0.081 8.150 8.150 -0.135 0.000 0.449 125 T N -5.970 108.537 114.554 -0.079 0.000 3.100 125 T HA -0.075 4.251 4.350 -0.040 0.000 0.253 125 T C 0.119 174.784 174.700 -0.057 0.000 1.118 125 T CA 0.372 62.439 62.100 -0.056 0.000 1.058 125 T CB 0.288 69.129 68.868 -0.045 0.000 0.953 125 T HN -0.421 7.713 8.240 -0.104 0.043 0.515 126 A N 1.472 124.244 122.820 -0.080 0.000 2.351 126 A HA 0.110 4.559 4.320 -0.054 -0.161 0.257 126 A C -0.705 176.856 177.584 -0.040 0.000 1.087 126 A CA -1.165 50.833 52.037 -0.064 0.000 0.798 126 A CB 0.982 19.930 19.000 -0.087 0.000 1.033 126 A HN -0.555 7.471 8.150 -0.101 0.064 0.488 127 I N 1.375 121.929 120.570 -0.026 0.000 2.826 127 I HA -0.354 3.806 4.170 -0.017 0.000 0.295 127 I C 0.179 176.285 176.117 -0.019 0.000 1.213 127 I CA 1.776 63.065 61.300 -0.018 0.000 1.436 127 I CB -0.051 37.943 38.000 -0.011 0.000 1.348 127 I HN -0.219 7.977 8.210 -0.024 0.000 0.570 128 S N 1.697 117.388 115.700 -0.016 0.000 3.641 128 S HA -0.324 4.138 4.470 -0.012 0.000 0.346 128 S C -0.401 174.188 174.600 -0.017 0.000 1.074 128 S CA 0.868 59.060 58.200 -0.013 0.000 1.026 128 S CB -1.571 61.624 63.200 -0.008 0.000 0.908 128 S HN 0.331 8.632 8.310 -0.015 0.000 0.479 129 A N -0.214 122.591 122.820 -0.026 0.000 2.540 129 A HA -0.190 4.106 4.320 -0.040 0.000 0.239 129 A C -0.432 177.140 177.584 -0.020 0.000 1.061 129 A CA 0.975 52.991 52.037 -0.034 0.000 0.758 129 A CB 0.588 19.561 19.000 -0.044 0.000 0.991 129 A HN -0.821 7.293 8.150 -0.027 0.020 0.502 130 D N 2.437 122.829 120.400 -0.014 0.000 2.305 130 D HA -0.149 4.489 4.640 -0.003 0.000 0.206 130 D C 1.347 177.645 176.300 -0.003 0.000 0.974 130 D CA 1.843 55.841 54.000 -0.002 0.000 0.871 130 D CB 0.082 40.890 40.800 0.013 0.000 0.947 130 D HN 0.378 8.737 8.370 -0.018 0.000 0.516 131 G N 0.829 109.625 108.800 -0.008 0.000 2.418 131 G HA2 -0.199 3.757 3.960 -0.007 0.000 0.217 131 G HA3 -0.199 3.763 3.960 0.003 0.000 0.217 131 G C -1.207 173.689 174.900 -0.007 0.000 1.158 131 G CA 2.541 47.638 45.100 -0.004 0.000 0.771 131 G HN 0.687 8.968 8.290 -0.015 0.000 0.545 132 P HA -0.236 4.178 4.420 -0.009 0.000 0.214 132 P C 1.304 178.598 177.300 -0.010 0.000 1.163 132 P CA 3.050 66.144 63.100 -0.010 0.000 0.883 132 P CB -0.138 31.555 31.700 -0.011 0.000 0.788 133 M N -3.844 115.750 119.600 -0.010 0.000 2.175 133 M HA -0.242 4.231 4.480 -0.011 0.000 0.264 133 M C 1.548 177.840 176.300 -0.013 0.000 1.063 133 M CA 2.391 57.684 55.300 -0.011 0.000 1.119 133 M CB -0.388 32.205 32.600 -0.011 0.000 1.377 133 M HN -0.344 7.940 8.290 -0.009 0.000 0.415 134 N N 0.779 119.473 118.700 -0.010 0.000 2.069 134 N HA -0.319 4.410 4.740 -0.018 0.000 0.191 134 N C 2.362 177.863 175.510 -0.014 0.000 1.031 134 N CA 2.898 55.941 53.050 -0.013 0.000 0.852 134 N CB -0.470 38.013 38.487 -0.005 0.000 1.018 134 N HN -0.347 8.029 8.380 -0.007 0.000 0.423 135 L N 0.457 121.674 121.223 -0.010 0.000 2.017 135 L HA -0.241 4.093 4.340 -0.011 0.000 0.208 135 L C 1.210 178.072 176.870 -0.013 0.000 1.073 135 L CA 2.978 57.812 54.840 -0.011 0.000 0.745 135 L CB -0.317 41.737 42.059 -0.008 0.000 0.894 135 L HN -0.102 8.123 8.230 -0.008 0.000 0.432 136 L N -1.195 120.020 121.223 -0.013 0.000 2.012 136 L HA -0.469 nan 4.340 nan 0.000 0.210 136 L C 1.732 178.592 176.870 -0.016 0.000 1.073 136 L CA 3.498 58.330 54.840 -0.014 0.000 0.748 136 L CB -0.503 41.549 42.059 -0.012 0.000 0.891 136 L HN -0.381 7.842 8.230 -0.012 0.000 0.431 137 E N -1.235 118.953 120.200 -0.019 0.000 2.077 137 E HA -0.486 3.849 4.350 -0.026 0.000 0.193 137 E C 2.102 178.688 176.600 -0.023 0.000 0.989 137 E CA 3.328 59.713 56.400 -0.025 0.000 0.800 137 E CB -0.260 29.420 29.700 -0.032 0.000 0.746 137 E HN -0.189 8.160 8.360 -0.019 0.000 0.452 138 A N -0.285 122.523 122.820 -0.019 0.000 1.902 138 A HA -0.317 3.996 4.320 -0.011 0.000 0.217 138 A C 1.938 179.515 177.584 -0.012 0.000 1.181 138 A CA 3.347 55.376 52.037 -0.014 0.000 0.623 138 A CB -0.622 18.368 19.000 -0.017 0.000 0.818 138 A HN -0.181 7.958 8.150 -0.019 0.000 0.443 139 V N -0.870 119.035 119.914 -0.015 0.000 2.343 139 V HA -0.491 3.621 4.120 -0.014 0.000 0.247 139 V C 1.939 178.028 176.094 -0.009 0.000 1.051 139 V CA 3.927 66.219 62.300 -0.013 0.000 1.036 139 V CB -1.073 30.742 31.823 -0.014 0.000 0.654 139 V HN -0.278 7.902 8.190 -0.016 0.000 0.451 140 R N -0.465 120.028 120.500 -0.011 0.000 2.083 140 R HA -0.418 3.916 4.340 -0.010 0.000 0.237 140 R C 2.501 178.800 176.300 -0.002 0.000 1.137 140 R CA 3.557 59.650 56.100 -0.012 0.000 0.951 140 R CB -0.128 30.159 30.300 -0.023 0.000 0.851 140 R HN -0.553 7.709 8.270 -0.014 0.000 0.434 141 V N -1.846 118.069 119.914 0.002 0.000 2.295 141 V HA -0.350 3.795 4.120 0.042 0.000 0.246 141 V C 2.570 178.695 176.094 0.053 0.000 1.049 141 V CA 3.500 65.821 62.300 0.035 0.000 1.024 141 V CB -0.596 31.248 31.823 0.036 0.000 0.648 141 V HN -0.160 8.025 8.190 -0.007 0.000 0.447 142 A N -0.962 121.874 122.820 0.026 0.000 1.969 142 A HA -0.211 4.125 4.320 0.028 0.000 0.218 142 A C 1.493 179.087 177.584 0.016 0.000 1.169 142 A CA 2.497 54.545 52.037 0.018 0.000 0.635 142 A CB -0.445 18.552 19.000 -0.004 0.000 0.810 142 A HN -0.012 8.146 8.150 0.014 0.000 0.445 143 G N -4.978 103.829 108.800 0.013 0.000 3.042 143 G HA2 -0.039 3.923 3.960 0.004 0.000 0.212 143 G HA3 -0.039 3.925 3.960 0.006 0.000 0.212 143 G C -1.060 173.850 174.900 0.016 0.000 1.166 143 G CA -0.632 44.473 45.100 0.009 0.000 0.767 143 G HN -0.599 7.669 8.290 0.011 0.029 0.546 144 D N 0.684 121.103 120.400 0.032 0.000 2.264 144 D HA 0.096 4.751 4.640 0.025 0.000 0.250 144 D C 0.894 177.220 176.300 0.044 0.000 1.113 144 D CA -0.598 53.427 54.000 0.040 0.000 0.871 144 D CB 1.606 42.446 40.800 0.066 0.000 1.167 144 D HN -0.864 7.475 8.370 0.040 0.055 0.447 145 K N 5.293 125.710 120.400 0.027 0.000 2.152 145 K HA -0.367 3.960 4.320 0.012 0.000 0.206 145 K C 1.986 178.595 176.600 0.016 0.000 1.048 145 K CA 3.124 59.421 56.287 0.017 0.000 0.933 145 K CB -0.103 32.402 32.500 0.008 0.000 0.721 145 K HN 0.560 8.823 8.250 0.022 0.000 0.447 146 Q N -2.803 117.023 119.800 0.043 0.000 2.437 146 Q HA -0.161 4.177 4.340 -0.004 0.000 0.210 146 Q C 1.707 177.682 176.000 -0.042 0.000 0.972 146 Q CA 1.232 57.056 55.803 0.036 0.000 0.903 146 Q CB -0.977 27.836 28.738 0.124 0.000 0.967 146 Q HN 0.029 8.621 8.270 0.055 -0.288 0.486 147 S N -1.289 114.429 115.700 0.029 0.000 2.558 147 S HA -0.024 4.352 4.470 -0.157 0.000 0.217 147 S C -0.287 174.272 174.600 -0.067 0.000 0.975 147 S CA 1.221 59.416 58.200 -0.009 0.000 0.912 147 S CB 0.228 63.514 63.200 0.143 0.000 0.776 147 S HN -0.387 7.788 8.310 0.069 0.177 0.526 148 R N 0.490 120.957 120.500 -0.054 0.000 2.594 148 R HA -0.259 4.183 4.340 -0.020 -0.114 0.272 148 R C 1.170 177.441 176.300 -0.049 0.000 1.074 148 R CA 1.176 57.255 56.100 -0.036 0.000 1.105 148 R CB 0.220 30.507 30.300 -0.022 0.000 1.008 148 R HN -0.994 7.187 8.270 -0.046 0.061 0.472 149 G N 3.082 111.875 108.800 -0.012 0.000 2.153 149 G HA2 -0.328 3.640 3.960 0.014 0.000 0.252 149 G HA3 -0.328 3.668 3.960 0.060 0.000 0.252 149 G C -0.283 174.649 174.900 0.054 0.000 0.994 149 G CA 0.784 45.900 45.100 0.028 0.000 0.698 149 G HN 0.526 8.815 8.290 -0.002 0.000 0.521 150 R N -0.464 120.018 120.500 -0.029 0.000 2.334 150 R HA 0.090 4.402 4.340 -0.047 0.000 0.216 150 R C -0.456 175.701 176.300 -0.237 0.000 0.905 150 R CA -0.715 55.334 56.100 -0.086 0.000 1.064 150 R CB 0.620 30.841 30.300 -0.131 0.000 1.046 150 R HN -0.443 7.771 8.270 -0.039 0.032 0.508 151 G N -2.668 105.907 108.800 -0.375 0.000 2.796 151 G HA2 -0.296 3.170 3.960 -0.823 0.000 0.571 151 G HA3 -0.296 3.290 3.960 -0.624 0.000 0.571 151 G C -0.747 174.128 174.900 -0.043 0.000 1.370 151 G CA -0.868 43.898 45.100 -0.556 0.000 0.856 151 G HN -0.420 7.702 8.290 -0.175 0.063 0.538 152 V N 0.618 120.673 119.914 0.236 0.000 2.715 152 V HA -0.124 4.201 4.120 0.142 -0.119 0.299 152 V C -0.203 175.947 176.094 0.093 0.000 1.054 152 V CA 1.264 63.677 62.300 0.187 0.000 1.077 152 V CB 0.227 32.205 31.823 0.258 0.000 0.972 152 V HN -0.354 8.182 8.190 0.578 0.000 0.484 153 M N 4.931 124.598 119.600 0.111 0.000 2.602 153 M HA 0.717 5.403 4.480 0.045 -0.180 0.312 153 M C -1.585 174.770 176.300 0.092 0.000 1.181 153 M CA -0.781 54.567 55.300 0.079 0.000 0.910 153 M CB 4.457 37.114 32.600 0.095 0.000 1.723 153 M HN 0.081 8.461 8.290 0.150 0.000 0.459 154 V N 1.125 121.055 119.914 0.027 0.000 2.444 154 V HA 0.533 4.843 4.120 0.016 -0.180 0.294 154 V C -1.670 174.395 176.094 -0.049 0.000 1.022 154 V CA -1.375 60.902 62.300 -0.037 0.000 0.850 154 V CB 1.239 32.957 31.823 -0.175 0.000 0.992 154 V HN 0.433 8.638 8.190 0.026 0.000 0.426 155 V N 9.138 129.022 119.914 -0.050 0.000 2.448 155 V HA 0.941 5.258 4.120 -0.055 -0.231 0.295 155 V C -1.399 174.648 176.094 -0.079 0.000 1.025 155 V CA -1.815 60.454 62.300 -0.052 0.000 0.859 155 V CB 1.643 33.452 31.823 -0.024 0.000 0.988 155 V HN 0.551 8.721 8.190 -0.034 0.000 0.431 156 I N 5.787 126.310 120.570 -0.079 0.000 2.746 156 I HA 0.137 4.399 4.170 -0.036 -0.113 0.290 156 I C -2.345 173.751 176.117 -0.034 0.000 1.600 156 I CA -0.103 61.168 61.300 -0.048 0.000 1.019 156 I CB 3.626 41.591 38.000 -0.059 0.000 1.426 156 I HN -0.030 8.129 8.210 -0.085 0.000 0.460 157 N N 9.298 127.989 118.700 -0.015 0.000 2.740 157 N HA -0.388 4.345 4.740 -0.012 0.000 0.248 157 N C -0.885 174.580 175.510 -0.076 0.000 1.062 157 N CA 1.628 54.666 53.050 -0.020 0.000 0.704 157 N CB -1.423 37.077 38.487 0.021 0.000 0.968 157 N HN 0.691 9.382 8.380 -0.007 -0.316 0.547 158 D N -10.579 109.772 120.400 -0.082 0.000 3.028 158 D HA -0.487 4.359 4.640 -0.080 -0.255 0.207 158 D C -1.200 174.993 176.300 -0.178 0.000 1.100 158 D CA 2.263 56.201 54.000 -0.102 0.000 0.995 158 D CB -0.973 39.778 40.800 -0.082 0.000 1.108 158 D HN -0.123 8.387 8.370 -0.064 -0.178 0.421 159 R N -3.672 116.680 120.500 -0.247 0.000 2.711 159 R HA 0.497 4.574 4.340 -0.437 0.000 0.284 159 R C -1.454 174.715 176.300 -0.220 0.000 0.968 159 R CA -2.389 53.452 56.100 -0.431 0.000 0.924 159 R CB 2.494 32.213 30.300 -0.968 0.000 1.162 159 R HN -0.607 7.485 8.270 -0.195 0.061 0.465 160 I N 1.135 121.628 120.570 -0.128 0.000 2.390 160 I HA 0.338 4.648 4.170 0.017 -0.130 0.283 160 I C -0.843 175.383 176.117 0.182 0.000 1.016 160 I CA -0.946 60.374 61.300 0.033 0.000 1.151 160 I CB 1.004 39.039 38.000 0.058 0.000 1.293 160 I HN 0.398 8.509 8.210 -0.166 0.000 0.458 161 G N 6.223 115.136 108.800 0.190 0.000 2.388 161 G HA2 0.378 4.501 3.960 0.271 0.000 0.330 161 G HA3 0.378 4.544 3.960 0.343 0.000 0.330 161 G C -1.997 172.974 174.900 0.118 0.000 1.142 161 G CA -1.819 43.431 45.100 0.250 0.000 0.908 161 G HN 0.415 8.774 8.290 0.116 0.000 0.473 162 S N 2.420 118.174 115.700 0.090 0.000 2.549 162 S HA -0.065 4.362 4.470 -0.072 0.000 0.279 162 S C 1.292 175.775 174.600 -0.195 0.000 1.321 162 S CA -0.748 57.405 58.200 -0.079 0.000 1.054 162 S CB 1.039 64.136 63.200 -0.172 0.000 0.899 162 S HN 0.213 8.615 8.310 0.154 0.000 0.497 163 A N 8.987 131.607 122.820 -0.333 0.000 1.978 163 A HA -0.215 3.965 4.320 -0.232 0.000 0.220 163 A C 0.986 178.205 177.584 -0.609 0.000 1.170 163 A CA 2.859 54.664 52.037 -0.386 0.000 0.636 163 A CB -0.259 18.521 19.000 -0.366 0.000 0.810 163 A HN 0.405 8.367 8.150 -0.313 0.000 0.448 164 R N -4.003 115.979 120.500 -0.863 0.000 2.148 164 R HA -0.229 3.236 4.340 -1.459 0.000 0.223 164 R C 0.871 176.777 176.300 -0.657 0.000 1.088 164 R CA 1.894 57.380 56.100 -1.023 0.000 0.985 164 R CB 0.147 29.945 30.300 -0.838 0.000 0.880 164 R HN -0.634 7.048 8.270 -0.924 0.033 0.451 165 Y N -5.898 114.266 120.300 -0.228 0.000 2.581 165 Y HA 0.054 4.567 4.550 -0.062 0.000 0.271 165 Y C 0.284 176.204 175.900 0.034 0.000 1.100 165 Y CA -0.860 57.198 58.100 -0.069 0.000 1.281 165 Y CB 1.042 39.467 38.460 -0.058 0.000 1.237 165 Y HN -0.774 7.284 8.280 -0.309 0.036 0.514 166 I N -0.274 120.420 120.570 0.207 0.000 2.754 166 I HA -0.208 4.085 4.170 0.206 0.000 0.285 166 I C -0.407 175.863 176.117 0.255 0.000 1.166 166 I CA 0.214 61.650 61.300 0.228 0.000 1.417 166 I CB 1.304 39.437 38.000 0.221 0.000 1.382 166 I HN -0.321 7.965 8.210 0.127 0.000 0.588 167 T N 7.479 122.166 114.554 0.222 0.000 2.889 167 T HA 0.227 4.651 4.350 0.122 0.000 0.315 167 T C -2.087 172.589 174.700 -0.040 0.000 1.291 167 T CA -1.149 61.005 62.100 0.091 0.000 1.028 167 T CB 1.698 70.534 68.868 -0.053 0.000 1.235 167 T HN -0.051 8.326 8.240 0.228 0.000 0.491 168 K N 7.192 127.439 120.400 -0.254 0.000 2.315 168 K HA -0.042 3.572 4.320 -1.176 0.000 0.291 168 K C 0.490 176.890 176.600 -0.333 0.000 1.074 168 K CA 0.356 56.242 56.287 -0.668 0.000 0.936 168 K CB 0.007 32.167 32.500 -0.567 0.000 1.049 168 K HN -0.059 8.384 8.250 -0.101 -0.254 0.471 169 T N 4.725 119.106 114.554 -0.289 0.000 3.044 169 T HA 0.052 4.322 4.350 -0.133 0.000 0.250 169 T C -0.123 174.499 174.700 -0.130 0.000 1.081 169 T CA 0.149 62.155 62.100 -0.156 0.000 1.040 169 T CB 0.941 69.748 68.868 -0.102 0.000 0.962 169 T HN 0.498 8.523 8.240 -0.358 0.000 0.506 170 N N 1.314 119.919 118.700 -0.159 0.000 2.249 170 N HA 0.056 4.745 4.740 -0.084 0.000 0.296 170 N C -0.674 174.772 175.510 -0.108 0.000 1.051 170 N CA -0.209 52.777 53.050 -0.106 0.000 0.815 170 N CB 2.670 41.110 38.487 -0.078 0.000 1.487 170 N HN -0.448 7.798 8.380 -0.223 0.000 0.475 171 A N 3.280 126.057 122.820 -0.072 0.000 1.940 171 A HA -0.275 4.007 4.320 -0.063 0.000 0.219 171 A C -0.142 177.421 177.584 -0.034 0.000 1.176 171 A CA 2.348 54.352 52.037 -0.055 0.000 0.631 171 A CB 0.124 19.099 19.000 -0.041 0.000 0.814 171 A HN 0.596 8.709 8.150 -0.062 0.000 0.446 172 S N -9.070 106.615 115.700 -0.025 0.000 2.744 172 S HA 0.235 4.717 4.470 0.020 0.000 0.265 172 S C -0.823 173.784 174.600 0.012 0.000 1.065 172 S CA -0.117 58.086 58.200 0.005 0.000 1.191 172 S CB 2.663 65.869 63.200 0.009 0.000 1.150 172 S HN -0.229 8.339 8.310 -0.035 -0.279 0.646 173 T N 0.615 115.167 114.554 -0.003 0.000 2.918 173 T HA 0.164 4.524 4.350 0.016 0.000 0.283 173 T C 1.074 175.790 174.700 0.027 0.000 1.001 173 T CA -1.256 60.849 62.100 0.009 0.000 1.041 173 T CB 2.146 71.014 68.868 0.000 0.000 1.028 173 T HN -0.758 7.606 8.240 -0.022 -0.137 0.511 174 L N -0.311 120.936 121.223 0.039 0.000 2.131 174 L HA -0.224 4.162 4.340 0.076 0.000 0.210 174 L C 0.320 177.241 176.870 0.084 0.000 1.092 174 L CA 2.508 57.385 54.840 0.061 0.000 0.759 174 L CB -0.379 41.706 42.059 0.044 0.000 0.903 174 L HN 0.434 8.682 8.230 0.031 0.000 0.435 175 D N -7.501 112.937 120.400 0.063 0.000 2.336 175 D HA -0.015 4.688 4.640 0.105 0.000 0.228 175 D C 0.695 177.038 176.300 0.072 0.000 1.120 175 D CA -0.191 53.857 54.000 0.080 0.000 0.839 175 D CB -1.484 39.353 40.800 0.062 0.000 0.932 175 D HN -0.187 8.170 8.370 0.044 0.040 0.509 176 T N 1.821 116.384 114.554 0.014 0.000 2.759 176 T HA -0.256 4.031 4.350 -0.105 0.000 0.269 176 T C -0.798 173.777 174.700 -0.208 0.000 1.042 176 T CA 3.847 65.865 62.100 -0.138 0.000 1.140 176 T CB 0.080 68.790 68.868 -0.263 0.000 0.864 176 T HN -0.822 7.341 8.240 0.032 0.096 0.455 177 F N 0.696 120.698 119.950 0.087 0.000 2.444 177 F HA 0.480 5.291 4.527 0.085 -0.233 0.360 177 F C -0.741 175.181 175.800 0.204 0.000 1.106 177 F CA 1.190 59.261 58.000 0.117 0.000 1.170 177 F CB -0.256 38.816 39.000 0.120 0.000 1.113 177 F HN -0.226 8.202 8.300 0.213 0.000 0.521 178 R N 3.157 123.793 120.500 0.226 0.000 2.739 178 R HA 0.316 4.715 4.340 0.098 0.000 0.271 178 R C -2.106 174.185 176.300 -0.015 0.000 1.010 178 R CA -1.319 54.832 56.100 0.085 0.000 0.897 178 R CB 5.093 35.404 30.300 0.020 0.000 1.236 178 R HN -0.051 8.309 8.270 0.149 0.000 0.466 179 A N 2.192 124.896 122.820 -0.192 0.000 2.709 179 A HA 0.477 4.759 4.320 -0.062 0.000 0.332 179 A C -0.459 177.007 177.584 -0.196 0.000 1.241 179 A CA -1.006 50.948 52.037 -0.138 0.000 0.782 179 A CB 1.149 20.094 19.000 -0.093 0.000 1.109 179 A HN 0.457 8.366 8.150 -0.401 0.000 0.472 180 N N 6.100 124.719 118.700 -0.136 0.000 2.069 180 N HA -0.342 4.316 4.740 -0.137 0.000 0.191 180 N C 0.949 176.377 175.510 -0.138 0.000 1.031 180 N CA 3.113 56.087 53.050 -0.127 0.000 0.852 180 N CB -0.201 38.236 38.487 -0.083 0.000 1.018 180 N HN 0.603 8.922 8.380 -0.102 0.000 0.423 181 E N -2.180 117.932 120.200 -0.147 0.000 2.318 181 E HA 0.030 4.307 4.350 -0.123 0.000 0.193 181 E C 0.368 176.843 176.600 -0.209 0.000 0.998 181 E CA 1.520 57.828 56.400 -0.154 0.000 0.859 181 E CB 0.045 29.662 29.700 -0.137 0.000 0.812 181 E HN 0.357 8.631 8.360 -0.144 0.000 0.492 182 E N -2.472 117.554 120.200 -0.289 0.000 2.473 182 E HA 0.123 4.270 4.350 -0.338 0.000 0.204 182 E C 0.114 176.588 176.600 -0.209 0.000 0.994 182 E CA -0.694 55.484 56.400 -0.370 0.000 0.945 182 E CB 0.599 29.785 29.700 -0.857 0.000 0.990 182 E HN -0.600 7.596 8.360 -0.273 0.000 0.493 183 G N -0.161 108.504 108.800 -0.226 0.000 2.752 183 G HA2 -0.344 3.532 3.960 -0.140 0.000 0.234 183 G HA3 -0.344 3.385 3.960 -0.384 0.000 0.234 183 G C -1.382 173.372 174.900 -0.243 0.000 1.367 183 G CA -0.226 44.720 45.100 -0.256 0.000 0.879 183 G HN -0.466 7.674 8.290 -0.250 0.000 0.563 184 Y N -1.315 119.031 120.300 0.077 0.000 2.320 184 Y HA -0.056 4.560 4.550 0.111 0.000 0.324 184 Y C 0.191 176.165 175.900 0.124 0.000 1.190 184 Y CA -0.327 57.832 58.100 0.098 0.000 1.215 184 Y CB 1.100 39.605 38.460 0.075 0.000 1.221 184 Y HN -0.076 8.168 8.280 -0.060 0.000 0.486 185 L N 0.323 121.738 121.223 0.320 0.000 2.083 185 L HA -0.230 4.266 4.340 0.261 0.000 0.209 185 L C 0.153 177.224 176.870 0.335 0.000 1.083 185 L CA 1.965 56.983 54.840 0.296 0.000 0.752 185 L CB 0.378 42.609 42.059 0.287 0.000 0.899 185 L HN 0.117 8.545 8.230 0.330 0.000 0.433 186 G N -8.182 100.766 108.800 0.246 0.000 2.550 186 G HA2 0.506 4.437 3.960 -0.069 0.000 0.293 186 G HA3 0.506 4.618 3.960 0.124 -0.078 0.293 186 G C -3.110 171.784 174.900 -0.010 0.000 1.402 186 G CA 0.183 45.331 45.100 0.081 0.000 0.784 186 G HN -0.673 7.746 8.290 0.251 0.021 0.482 187 V N -5.316 114.567 119.914 -0.052 0.000 3.078 187 V HA 0.964 5.124 4.120 -0.130 -0.118 0.311 187 V C -2.582 173.497 176.094 -0.025 0.000 1.138 187 V CA -3.658 58.599 62.300 -0.071 0.000 1.007 187 V CB 3.922 35.707 31.823 -0.063 0.000 1.045 187 V HN 0.299 8.469 8.190 -0.034 0.000 0.432 188 I N 2.267 122.817 120.570 -0.034 0.000 2.411 188 I HA 0.678 5.064 4.170 0.040 -0.192 0.284 188 I C -0.635 175.502 176.117 0.034 0.000 1.012 188 I CA -0.945 60.358 61.300 0.004 0.000 1.119 188 I CB 1.243 39.215 38.000 -0.047 0.000 1.261 188 I HN -0.069 8.100 8.210 -0.069 0.000 0.448 189 I N 5.717 126.362 120.570 0.124 0.000 2.533 189 I HA 0.300 4.488 4.170 0.030 0.000 0.290 189 I C 0.351 176.541 176.117 0.123 0.000 1.056 189 I CA -1.957 59.392 61.300 0.082 0.000 1.057 189 I CB 2.808 40.808 38.000 0.001 0.000 1.240 189 I HN 0.273 8.620 8.210 0.229 0.000 0.423 190 G N 8.568 117.404 108.800 0.059 0.000 2.305 190 G HA2 -0.419 3.580 3.960 0.065 0.000 0.287 190 G HA3 -0.419 3.560 3.960 0.031 0.000 0.287 190 G C -0.074 174.851 174.900 0.043 0.000 1.036 190 G CA 0.686 45.817 45.100 0.052 0.000 0.887 190 G HN 0.452 8.763 8.290 0.034 0.000 0.505 191 N N -6.078 112.637 118.700 0.024 0.000 2.782 191 N HA -0.506 4.229 4.740 -0.007 0.000 0.251 191 N C -1.379 174.118 175.510 -0.021 0.000 1.101 191 N CA 1.407 54.456 53.050 -0.001 0.000 0.764 191 N CB -0.566 37.919 38.487 -0.004 0.000 1.122 191 N HN 0.246 8.617 8.380 0.024 0.023 0.561 192 R N -2.402 118.087 120.500 -0.017 0.000 2.686 192 R HA 0.296 nan 4.340 nan 0.000 0.283 192 R C -1.992 174.194 176.300 -0.188 0.000 0.978 192 R CA -1.559 54.460 56.100 -0.134 0.000 0.897 192 R CB 3.638 33.808 30.300 -0.218 0.000 1.192 192 R HN -0.614 7.633 8.270 0.035 0.044 0.457 193 I N 1.603 121.992 120.570 -0.302 0.000 2.365 193 I HA 0.278 4.470 4.170 -0.214 -0.151 0.291 193 I C -0.277 175.537 176.117 -0.505 0.000 1.004 193 I CA -0.452 60.652 61.300 -0.328 0.000 1.311 193 I CB 1.219 39.010 38.000 -0.348 0.000 1.401 193 I HN 0.290 8.330 8.210 -0.284 0.000 0.491 194 Y N 6.485 126.646 120.300 -0.230 0.000 2.388 194 Y HA 0.221 4.731 4.550 -0.067 0.000 0.328 194 Y C -1.424 174.379 175.900 -0.162 0.000 0.963 194 Y CA -1.780 56.243 58.100 -0.127 0.000 1.240 194 Y CB 0.996 39.418 38.460 -0.064 0.000 1.118 194 Y HN 0.554 8.809 8.280 -0.041 0.000 0.484 195 Y N 4.716 125.083 120.300 0.112 0.000 2.336 195 Y HA 0.037 4.754 4.550 0.103 -0.105 0.335 195 Y C 0.481 176.445 175.900 0.108 0.000 1.046 195 Y CA 0.786 58.943 58.100 0.095 0.000 1.198 195 Y CB 0.276 38.770 38.460 0.056 0.000 1.182 195 Y HN 0.641 8.995 8.280 0.124 0.000 0.502 196 Q N 3.846 123.820 119.800 0.290 0.000 2.462 196 Q HA 0.119 4.563 4.340 0.173 0.000 0.224 196 Q C -0.013 176.087 176.000 0.167 0.000 0.911 196 Q CA 0.750 56.671 55.803 0.197 0.000 0.925 196 Q CB 1.822 30.665 28.738 0.174 0.000 1.063 196 Q HN 0.616 9.091 8.270 0.341 0.000 0.572 197 N N -0.494 118.317 118.700 0.185 0.000 2.284 197 N HA 0.189 5.000 4.740 0.118 0.000 0.289 197 N C -1.877 173.709 175.510 0.127 0.000 1.179 197 N CA -0.192 52.944 53.050 0.143 0.000 0.774 197 N CB 2.650 41.226 38.487 0.149 0.000 1.548 197 N HN -0.512 8.008 8.380 0.233 0.000 0.473 198 R N 0.116 120.674 120.500 0.097 0.000 2.445 198 R HA 0.282 nan 4.340 nan 0.000 0.308 198 R C -0.346 176.028 176.300 0.123 0.000 0.961 198 R CA -0.633 55.517 56.100 0.084 0.000 0.862 198 R CB 1.573 31.904 30.300 0.053 0.000 1.144 198 R HN 0.171 8.497 8.270 0.093 0.000 0.447 199 I N 0.854 121.506 120.570 0.137 0.000 2.648 199 I HA 0.086 nan 4.170 nan 0.000 0.284 199 I C 0.384 176.597 176.117 0.161 0.000 1.153 199 I CA 0.473 61.877 61.300 0.173 0.000 1.426 199 I CB 0.718 38.762 38.000 0.074 0.000 1.381 199 I HN 0.193 8.471 8.210 0.113 0.000 0.571 200 D N 8.269 128.770 120.400 0.167 0.000 3.110 200 D HA 0.115 4.804 4.640 0.082 0.000 0.254 200 D C -1.152 175.204 176.300 0.093 0.000 1.283 200 D CA -1.248 52.818 54.000 0.110 0.000 0.944 200 D CB -1.308 39.551 40.800 0.097 0.000 1.066 200 D HN 0.277 8.778 8.370 0.219 0.000 0.496 201 K N -2.313 118.136 120.400 0.081 0.000 2.533 201 K HA 0.256 4.574 4.320 -0.003 0.000 0.272 201 K C -0.995 175.567 176.600 -0.063 0.000 0.985 201 K CA -2.728 53.580 56.287 0.034 0.000 0.876 201 K CB 3.239 35.797 32.500 0.096 0.000 1.452 201 K HN -0.721 7.525 8.250 0.108 0.069 0.439 202 L N 0.524 121.602 121.223 -0.241 0.000 2.397 202 L HA 0.084 4.169 4.340 -0.425 0.000 0.271 202 L C -1.221 175.522 176.870 -0.211 0.000 1.148 202 L CA 0.568 55.156 54.840 -0.419 0.000 0.825 202 L CB 0.325 41.879 42.059 -0.841 0.000 1.117 202 L HN 0.226 8.291 8.230 -0.275 0.000 0.456 203 H N -2.561 116.402 119.070 -0.177 0.000 2.932 203 H HA 0.229 4.667 4.556 -0.196 0.000 0.307 203 H C 0.170 175.374 175.328 -0.208 0.000 1.391 203 H CA -1.118 54.753 56.048 -0.295 0.000 1.130 203 H CB 1.983 31.272 29.762 -0.788 0.000 1.836 203 H HN -0.446 7.485 8.280 -0.582 0.000 0.522 204 T N -2.932 111.612 114.554 -0.016 0.000 13.618 204 T HA -0.508 3.986 4.350 -0.012 -0.151 0.415 204 T C 1.823 176.505 174.700 -0.031 0.000 1.445 204 T CA 2.943 65.052 62.100 0.014 0.000 2.324 204 T CB -1.704 67.233 68.868 0.115 0.000 2.756 204 T HN 0.577 8.758 8.240 -0.098 0.000 0.458 205 T N 0.987 115.518 114.554 -0.037 0.000 2.977 205 T HA -0.199 4.126 4.350 -0.043 0.000 0.271 205 T C 1.278 175.925 174.700 -0.090 0.000 1.105 205 T CA 2.410 64.475 62.100 -0.058 0.000 1.116 205 T CB -0.456 68.383 68.868 -0.049 0.000 0.878 205 T HN 0.262 8.496 8.240 -0.009 0.000 0.509 206 R N -1.030 119.387 120.500 -0.139 0.000 2.359 206 R HA 0.179 4.449 4.340 -0.117 0.000 0.231 206 R C -0.439 175.805 176.300 -0.093 0.000 0.913 206 R CA -0.401 55.614 56.100 -0.143 0.000 1.075 206 R CB 0.387 30.556 30.300 -0.219 0.000 1.087 206 R HN -0.456 7.665 8.270 -0.178 0.043 0.515 207 S N -0.790 114.884 115.700 -0.045 0.000 2.562 207 S HA -0.073 4.513 4.470 0.193 0.000 0.275 207 S C 1.282 175.783 174.600 -0.164 0.000 1.281 207 S CA -0.376 57.834 58.200 0.015 0.000 1.045 207 S CB 1.435 64.659 63.200 0.041 0.000 0.962 207 S HN -0.561 7.547 8.310 -0.060 0.166 0.503 208 V N -1.299 118.376 119.914 -0.398 0.000 3.541 208 V HA 0.164 4.112 4.120 -0.286 0.000 0.267 208 V C -0.014 175.718 176.094 -0.603 0.000 1.213 208 V CA 0.500 62.501 62.300 -0.498 0.000 1.149 208 V CB 0.196 31.720 31.823 -0.499 0.000 0.822 208 V HN 0.051 7.973 8.190 -0.446 0.000 0.462 209 F N 2.281 122.068 119.950 -0.272 0.000 2.566 209 F HA -0.011 4.345 4.527 -0.285 0.000 0.349 209 F C -1.435 174.239 175.800 -0.209 0.000 1.245 209 F CA -0.208 57.607 58.000 -0.309 0.000 1.169 209 F CB -2.171 36.539 39.000 -0.483 0.000 1.470 209 F HN -0.732 7.107 8.300 -0.665 0.062 0.634 210 D N 2.645 123.029 120.400 -0.027 0.000 2.336 210 D HA 0.066 4.697 4.640 -0.015 0.000 0.249 210 D C -0.525 175.785 176.300 0.018 0.000 1.213 210 D CA -0.749 53.244 54.000 -0.012 0.000 0.870 210 D CB 1.049 41.836 40.800 -0.021 0.000 1.076 210 D HN -0.408 7.929 8.370 -0.055 0.000 0.483 211 V N 0.585 120.516 119.914 0.029 0.000 3.253 211 V HA 0.235 4.389 4.120 0.056 0.000 0.320 211 V C 1.789 177.925 176.094 0.070 0.000 1.442 211 V CA 0.337 62.673 62.300 0.060 0.000 1.097 211 V CB -0.651 31.231 31.823 0.097 0.000 1.008 211 V HN 0.041 8.245 8.190 0.024 0.000 0.463 212 R N 1.155 121.685 120.500 0.051 0.000 2.134 212 R HA -0.148 4.142 4.340 -0.084 0.000 0.248 212 R C 1.802 178.132 176.300 0.049 0.000 1.143 212 R CA 1.142 57.271 56.100 0.048 0.000 0.957 212 R CB -0.084 30.235 30.300 0.032 0.000 0.867 212 R HN 0.371 nan 8.270 nan 0.000 0.441 213 G N 0.514 109.340 108.800 0.043 0.000 3.434 213 G HA2 0.088 3.998 3.960 -0.084 0.000 0.258 213 G HA3 0.088 3.998 3.960 -0.084 0.000 0.258 213 G C 0.045 174.972 174.900 0.046 0.000 1.128 213 G CA -0.252 44.872 45.100 0.041 0.000 0.792 213 G HN -0.052 nan 8.290 nan 0.000 0.539 214 L N 1.501 122.758 121.223 0.058 0.000 2.357 214 L HA 0.202 4.574 4.340 0.053 0.000 0.273 214 L C -0.476 176.431 176.870 0.061 0.000 1.080 214 L CA -0.395 54.482 54.840 0.062 0.000 0.803 214 L CB 1.347 43.453 42.059 0.079 0.000 1.174 214 L HN -0.599 nan 8.230 nan 0.000 0.443 215 T N -5.100 109.485 114.554 0.052 0.000 2.975 215 T HA 0.077 4.455 4.350 0.047 0.000 0.261 215 T C -0.756 173.969 174.700 0.042 0.000 0.984 215 T CA -0.515 61.612 62.100 0.045 0.000 0.911 215 T CB 1.616 70.504 68.868 0.034 0.000 1.127 215 T HN 0.006 8.276 8.240 0.049 0.000 0.514 216 S N -0.083 115.647 115.700 0.050 0.000 2.638 216 S HA 0.327 nan 4.470 nan 0.000 0.274 216 S C -2.019 172.621 174.600 0.066 0.000 1.157 216 S CA -0.376 57.854 58.200 0.049 0.000 0.826 216 S CB 2.056 65.279 63.200 0.040 0.000 1.139 216 S HN -0.698 7.644 8.310 0.054 0.000 0.474 217 L N 2.344 123.608 121.223 0.069 0.000 2.323 217 L HA 0.482 4.874 4.340 0.087 0.000 0.265 217 L C -2.276 174.634 176.870 0.067 0.000 1.012 217 L CA -2.719 52.170 54.840 0.083 0.000 0.820 217 L CB 1.056 43.184 42.059 0.115 0.000 1.334 217 L HN 0.453 8.718 8.230 0.059 0.000 0.427 218 P HA -0.054 4.401 4.420 0.057 0.000 0.266 218 P C -1.413 175.925 177.300 0.062 0.000 1.195 218 P CA 0.038 63.174 63.100 0.060 0.000 0.768 218 P CB 0.429 32.165 31.700 0.060 0.000 0.838 219 K N 3.910 124.346 120.400 0.060 0.000 2.339 219 K HA -0.150 4.205 4.320 0.058 0.000 0.286 219 K C -1.717 174.920 176.600 0.063 0.000 1.050 219 K CA 0.511 56.833 56.287 0.060 0.000 0.956 219 K CB 0.342 32.878 32.500 0.059 0.000 0.990 219 K HN 0.291 8.575 8.250 0.058 0.000 0.475 220 V N 7.410 127.363 119.914 0.064 0.000 2.525 220 V HA 0.515 4.885 4.120 0.066 -0.210 0.299 220 V C -1.427 174.703 176.094 0.059 0.000 1.034 220 V CA -1.438 60.902 62.300 0.068 0.000 0.863 220 V CB 2.911 34.784 31.823 0.083 0.000 0.999 220 V HN 0.354 8.581 8.190 0.062 0.000 0.423 221 D N 7.278 127.708 120.400 0.050 0.000 2.340 221 D HA 0.448 5.109 4.640 0.036 0.000 0.243 221 D C -1.526 174.798 176.300 0.041 0.000 0.988 221 D CA -1.475 52.546 54.000 0.035 0.000 0.959 221 D CB 3.998 44.806 40.800 0.013 0.000 1.226 221 D HN -0.165 8.236 8.370 0.051 0.000 0.509 222 I N -0.449 120.143 120.570 0.038 0.000 2.406 222 I HA 0.641 5.091 4.170 0.069 -0.238 0.290 222 I C -0.213 175.933 176.117 0.048 0.000 0.999 222 I CA -1.254 60.080 61.300 0.057 0.000 1.124 222 I CB 1.657 39.697 38.000 0.068 0.000 1.289 222 I HN 0.095 8.322 8.210 0.029 0.000 0.441 223 L N 6.710 127.971 121.223 0.063 0.000 2.322 223 L HA 0.433 4.808 4.340 0.060 0.000 0.281 223 L C -1.344 175.651 176.870 0.208 0.000 1.014 223 L CA -1.467 53.413 54.840 0.067 0.000 0.815 223 L CB 2.737 44.703 42.059 -0.155 0.000 1.247 223 L HN 0.308 8.588 8.230 0.084 0.000 0.421 224 Y N 3.841 124.204 120.300 0.105 0.000 2.301 224 Y HA -0.032 4.527 4.550 0.014 0.000 0.328 224 Y C 0.316 176.387 175.900 0.286 0.000 1.242 224 Y CA 0.435 58.617 58.100 0.137 0.000 1.323 224 Y CB 1.750 40.289 38.460 0.131 0.000 1.266 224 Y HN 0.267 8.753 8.280 0.343 0.000 0.527 225 G N 3.490 112.216 108.800 -0.123 0.000 2.416 225 G HA2 0.387 4.268 3.960 -0.133 0.000 0.324 225 G HA3 0.387 4.473 3.960 0.210 0.000 0.324 225 G C -2.933 172.045 174.900 0.131 0.000 1.194 225 G CA -0.845 44.272 45.100 0.030 0.000 0.922 225 G HN 0.195 8.098 8.290 -0.646 0.000 0.467 226 Y N -2.606 117.725 120.300 0.052 0.000 2.732 226 Y HA 0.107 4.675 4.550 0.030 0.000 0.342 226 Y C -2.351 173.590 175.900 0.069 0.000 1.203 226 Y CA -2.045 56.095 58.100 0.068 0.000 1.092 226 Y CB 0.414 38.969 38.460 0.158 0.000 1.345 226 Y HN -0.221 7.988 8.280 -0.117 0.000 0.458 227 Q N 2.502 122.405 119.800 0.171 0.000 2.315 227 Q HA -0.152 4.200 4.340 0.019 0.000 0.289 227 Q C -0.003 176.017 176.000 0.033 0.000 1.044 227 Q CA 2.157 58.005 55.803 0.075 0.000 0.920 227 Q CB 0.042 28.841 28.738 0.102 0.000 1.214 227 Q HN 0.173 8.587 8.270 0.240 0.000 0.392 228 D N -2.473 117.897 120.400 -0.049 0.000 3.076 228 D HA -0.258 4.353 4.640 -0.049 0.000 0.218 228 D C -0.663 175.513 176.300 -0.206 0.000 1.156 228 D CA 0.981 54.948 54.000 -0.055 0.000 0.921 228 D CB -0.982 39.850 40.800 0.052 0.000 1.113 228 D HN 0.269 8.611 8.370 -0.047 0.000 0.418 229 D N -1.363 118.727 120.400 -0.515 0.000 2.488 229 D HA -0.061 3.935 4.640 -1.074 0.000 0.238 229 D C -1.520 174.588 176.300 -0.320 0.000 1.138 229 D CA -0.704 52.849 54.000 -0.746 0.000 0.873 229 D CB -0.116 40.215 40.800 -0.781 0.000 1.183 229 D HN -0.648 7.393 8.370 -0.472 0.046 0.458 230 P HA 0.252 4.516 4.420 -0.259 0.000 0.292 230 P C 0.276 177.410 177.300 -0.275 0.000 1.283 230 P CA -0.722 62.137 63.100 -0.401 0.000 0.835 230 P CB 2.168 33.261 31.700 -1.011 0.000 1.017 231 E N 2.064 122.179 120.200 -0.142 0.000 2.153 231 E HA -0.346 nan 4.350 nan 0.000 0.194 231 E C 1.730 178.379 176.600 0.083 0.000 0.988 231 E CA 3.581 59.992 56.400 0.017 0.000 0.811 231 E CB -0.372 29.341 29.700 0.021 0.000 0.746 231 E HN 0.631 8.921 8.360 -0.118 0.000 0.466 232 Y N -4.612 115.766 120.300 0.131 0.000 2.421 232 Y HA -0.199 nan 4.550 nan 0.000 0.292 232 Y C 0.527 176.490 175.900 0.105 0.000 1.136 232 Y CA 0.937 59.100 58.100 0.105 0.000 1.255 232 Y CB -1.519 36.985 38.460 0.073 0.000 0.991 232 Y HN -0.064 7.963 8.280 -0.359 0.038 0.552 233 L N -0.936 120.256 121.223 -0.052 0.000 2.156 233 L HA -0.361 4.037 4.340 0.096 0.000 0.208 233 L C 1.965 178.787 176.870 -0.080 0.000 1.095 233 L CA 2.348 57.169 54.840 -0.033 0.000 0.770 233 L CB -0.623 41.340 42.059 -0.161 0.000 0.914 233 L HN -0.657 7.347 8.230 -0.314 0.038 0.439 234 Y N -1.024 119.277 120.300 0.002 0.000 2.145 234 Y HA -0.524 4.040 4.550 0.024 0.000 0.286 234 Y C 2.124 178.055 175.900 0.051 0.000 1.145 234 Y CA 3.868 61.978 58.100 0.016 0.000 1.148 234 Y CB -0.818 37.628 38.460 -0.024 0.000 0.981 234 Y HN -0.686 7.693 8.280 0.165 0.000 0.507 235 D N -1.412 119.123 120.400 0.225 0.000 2.123 235 D HA -0.420 4.309 4.640 0.149 0.000 0.196 235 D C 2.038 178.436 176.300 0.163 0.000 0.992 235 D CA 3.372 57.474 54.000 0.171 0.000 0.833 235 D CB -0.704 40.197 40.800 0.167 0.000 0.954 235 D HN -0.659 7.861 8.370 0.250 0.000 0.455 236 A N -1.064 121.863 122.820 0.179 0.000 1.902 236 A HA -0.229 4.239 4.320 0.246 0.000 0.217 236 A C 2.044 179.769 177.584 0.234 0.000 1.181 236 A CA 3.031 55.196 52.037 0.212 0.000 0.623 236 A CB -0.735 18.366 19.000 0.169 0.000 0.818 236 A HN -0.132 8.119 8.150 0.184 0.010 0.443 237 A N -1.005 121.892 122.820 0.127 0.000 1.902 237 A HA -0.337 4.047 4.320 0.107 0.000 0.217 237 A C 1.982 179.647 177.584 0.135 0.000 1.181 237 A CA 2.971 55.071 52.037 0.106 0.000 0.623 237 A CB -0.510 18.509 19.000 0.032 0.000 0.818 237 A HN -0.608 7.597 8.150 0.091 0.000 0.443 238 I N -1.452 119.191 120.570 0.123 0.000 2.163 238 I HA -0.623 3.601 4.170 0.089 0.000 0.243 238 I C 2.804 178.970 176.117 0.081 0.000 1.085 238 I CA 4.113 65.472 61.300 0.098 0.000 1.347 238 I CB -0.185 37.870 38.000 0.092 0.000 1.044 238 I HN -0.250 8.036 8.210 0.127 0.000 0.408 239 Q N -1.028 118.825 119.800 0.088 0.000 2.226 239 Q HA -0.299 4.030 4.340 -0.018 0.000 0.204 239 Q C 1.841 177.769 176.000 -0.120 0.000 0.975 239 Q CA 2.793 58.593 55.803 -0.006 0.000 0.866 239 Q CB 0.050 28.786 28.738 -0.003 0.000 0.915 239 Q HN -0.207 8.136 8.270 0.121 0.000 0.440 240 H N -3.532 115.559 119.070 0.034 0.000 2.524 240 H HA 0.065 4.637 4.556 0.027 0.000 0.280 240 H C -0.204 175.141 175.328 0.029 0.000 1.018 240 H CA -0.166 55.900 56.048 0.030 0.000 1.165 240 H CB -0.336 29.443 29.762 0.028 0.000 1.411 240 H HN -0.652 7.644 8.280 0.239 0.127 0.569 241 G N -0.280 108.572 108.800 0.086 0.000 2.143 241 G HA2 -0.347 3.647 3.960 0.056 0.000 0.248 241 G HA3 -0.347 3.642 3.960 0.048 0.000 0.248 241 G C 0.068 175.012 174.900 0.073 0.000 0.991 241 G CA 0.260 45.399 45.100 0.064 0.000 0.689 241 G HN -0.472 7.685 8.290 0.073 0.177 0.522 242 V N -4.711 115.254 119.914 0.085 0.000 2.901 242 V HA -0.198 3.964 4.120 0.071 0.000 0.307 242 V C -0.537 175.595 176.094 0.063 0.000 1.084 242 V CA 0.519 62.862 62.300 0.073 0.000 1.184 242 V CB -0.268 31.597 31.823 0.071 0.000 0.941 242 V HN -0.769 7.481 8.190 0.100 0.000 0.493 243 K N 1.546 121.982 120.400 0.061 0.000 2.284 243 K HA 0.122 4.474 4.320 0.054 0.000 0.198 243 K C 0.136 176.771 176.600 0.059 0.000 1.048 243 K CA -0.008 56.314 56.287 0.057 0.000 0.987 243 K CB 1.280 33.815 32.500 0.058 0.000 0.800 243 K HN 0.304 8.591 8.250 0.062 0.000 0.486 244 G N -3.092 105.746 108.800 0.063 0.000 2.659 244 G HA2 0.707 4.707 3.960 0.067 0.000 0.296 244 G HA3 0.707 4.895 3.960 0.058 -0.193 0.296 244 G C -3.195 171.745 174.900 0.066 0.000 1.369 244 G CA -0.354 44.784 45.100 0.063 0.000 0.937 244 G HN -0.634 7.695 8.290 0.064 0.000 0.485 245 I N 0.383 120.994 120.570 0.069 0.000 2.447 245 I HA 0.600 4.997 4.170 0.066 -0.188 0.287 245 I C -1.514 174.657 176.117 0.091 0.000 1.023 245 I CA -1.031 60.315 61.300 0.077 0.000 1.083 245 I CB 3.670 41.725 38.000 0.092 0.000 1.245 245 I HN 0.357 8.605 8.210 0.064 0.000 0.434 246 V N 7.512 127.485 119.914 0.098 0.000 2.407 246 V HA 0.412 4.787 4.120 0.107 -0.191 0.278 246 V C -1.423 174.767 176.094 0.161 0.000 1.037 246 V CA -1.700 60.669 62.300 0.115 0.000 0.900 246 V CB 0.825 32.715 31.823 0.111 0.000 0.983 246 V HN 0.482 8.725 8.190 0.088 0.000 0.459 247 Y N 9.410 129.731 120.300 0.036 0.000 2.353 247 Y HA 0.402 5.149 4.550 0.040 -0.173 0.340 247 Y C -2.260 173.648 175.900 0.013 0.000 0.972 247 Y CA -2.777 55.347 58.100 0.039 0.000 1.157 247 Y CB 2.060 40.562 38.460 0.069 0.000 1.157 247 Y HN 0.650 9.076 8.280 0.242 0.000 0.495 248 A N 9.651 132.260 122.820 -0.352 0.000 2.922 248 A HA 0.226 4.357 4.320 -0.315 0.000 0.298 248 A C -1.134 175.931 177.584 -0.866 0.000 1.588 248 A CA -1.436 50.342 52.037 -0.432 0.000 1.288 248 A CB -1.370 17.527 19.000 -0.172 0.000 1.130 248 A HN 0.529 8.569 8.150 -0.184 0.000 0.557 249 G N 0.619 108.826 108.800 -0.988 0.000 2.572 249 G HA2 0.226 3.644 3.960 -0.903 0.000 0.261 249 G HA3 0.226 3.060 3.960 -1.877 0.000 0.261 249 G C -1.324 173.283 174.900 -0.488 0.000 1.197 249 G CA -1.742 42.671 45.100 -1.145 0.000 0.870 249 G HN -0.458 7.295 8.290 -0.689 0.123 0.548 250 M N 2.327 121.772 119.600 -0.259 0.000 2.252 250 M HA -0.210 4.179 4.480 -0.152 0.000 0.348 250 M C 1.280 177.536 176.300 -0.073 0.000 1.334 250 M CA 1.597 56.827 55.300 -0.117 0.000 1.071 250 M CB 0.003 32.593 32.600 -0.017 0.000 1.763 250 M HN -0.342 7.835 8.290 -0.188 0.000 0.452 251 G N 2.678 111.439 108.800 -0.066 0.000 2.634 251 G HA2 -0.449 3.500 3.960 -0.019 0.000 0.309 251 G HA3 -0.449 3.490 3.960 -0.035 0.000 0.309 251 G C -0.407 174.474 174.900 -0.032 0.000 1.265 251 G CA 0.729 45.807 45.100 -0.036 0.000 0.998 251 G HN 0.455 8.700 8.290 -0.076 0.000 0.551 252 A N 3.883 126.700 122.820 -0.006 0.000 3.135 252 A HA 0.011 4.333 4.320 0.003 0.000 0.253 252 A C -0.335 177.268 177.584 0.031 0.000 1.638 252 A CA -1.453 50.590 52.037 0.009 0.000 1.295 252 A CB -1.292 17.718 19.000 0.016 0.000 1.106 252 A HN 0.371 8.521 8.150 -0.000 0.000 0.648 253 G N -0.667 108.147 108.800 0.024 0.000 2.198 253 G HA2 -0.452 3.577 3.960 0.114 0.000 0.260 253 G HA3 -0.452 3.698 3.960 0.079 -0.142 0.260 253 G C -0.330 174.690 174.900 0.200 0.000 1.025 253 G CA 0.255 45.419 45.100 0.107 0.000 0.769 253 G HN -0.334 7.869 8.290 -0.018 0.076 0.507 254 S N -0.938 114.844 115.700 0.137 0.000 2.576 254 S HA 0.225 nan 4.470 nan 0.000 0.276 254 S C -0.874 173.837 174.600 0.186 0.000 1.339 254 S CA 0.055 58.323 58.200 0.114 0.000 1.039 254 S CB 1.222 64.455 63.200 0.056 0.000 0.902 254 S HN -0.061 8.271 8.310 0.082 0.027 0.516 255 V N 2.322 122.272 119.914 0.059 0.000 2.638 255 V HA 0.346 4.476 4.120 0.016 0.000 0.306 255 V C 0.257 176.314 176.094 -0.060 0.000 1.052 255 V CA -1.790 60.485 62.300 -0.041 0.000 0.885 255 V CB 2.674 34.370 31.823 -0.212 0.000 0.999 255 V HN 0.335 8.540 8.190 0.025 0.000 0.424 256 S N 7.411 123.072 115.700 -0.065 0.000 2.617 256 S HA 0.100 4.539 4.470 -0.052 0.000 0.259 256 S C 1.422 175.957 174.600 -0.109 0.000 1.301 256 S CA -0.269 57.888 58.200 -0.073 0.000 0.984 256 S CB 1.005 64.161 63.200 -0.073 0.000 0.954 256 S HN 0.073 8.354 8.310 -0.049 0.000 0.572 257 V N -2.694 117.167 119.914 -0.088 0.000 2.392 257 V HA -0.273 nan 4.120 nan 0.000 0.249 257 V C 1.941 177.959 176.094 -0.126 0.000 1.059 257 V CA 3.003 65.246 62.300 -0.094 0.000 1.051 257 V CB -0.459 31.325 31.823 -0.066 0.000 0.658 257 V HN 0.430 8.578 8.190 -0.070 0.000 0.455 258 R N 0.813 121.237 120.500 -0.126 0.000 2.073 258 R HA -0.300 3.962 4.340 -0.129 0.000 0.229 258 R C 2.486 178.634 176.300 -0.254 0.000 1.120 258 R CA 3.093 59.105 56.100 -0.146 0.000 0.967 258 R CB -0.407 29.827 30.300 -0.109 0.000 0.862 258 R HN -0.573 7.614 8.270 -0.109 0.017 0.436 259 G N -0.469 108.164 108.800 -0.279 0.000 2.422 259 G HA2 -0.253 3.461 3.960 -0.410 0.000 0.218 259 G HA3 -0.253 3.304 3.960 -0.671 0.000 0.218 259 G C 1.039 175.577 174.900 -0.603 0.000 1.146 259 G CA 1.843 46.644 45.100 -0.500 0.000 0.769 259 G HN -0.310 7.856 8.290 -0.206 0.000 0.547 260 I N 2.365 122.714 120.570 -0.368 0.000 2.179 260 I HA -0.514 3.462 4.170 -0.322 0.000 0.242 260 I C 1.397 177.338 176.117 -0.294 0.000 1.088 260 I CA 3.902 65.022 61.300 -0.299 0.000 1.357 260 I CB -0.201 37.686 38.000 -0.189 0.000 1.051 260 I HN -0.128 7.894 8.210 -0.291 0.014 0.409 261 A N -1.084 121.581 122.820 -0.259 0.000 1.908 261 A HA -0.307 3.916 4.320 -0.161 0.000 0.218 261 A C 2.135 179.560 177.584 -0.265 0.000 1.181 261 A CA 3.421 55.335 52.037 -0.204 0.000 0.627 261 A CB -1.002 17.912 19.000 -0.142 0.000 0.818 261 A HN -0.355 7.649 8.150 -0.242 0.000 0.445 262 G N -2.282 106.237 108.800 -0.467 0.000 2.418 262 G HA2 -0.362 2.968 3.960 -1.051 0.000 0.217 262 G HA3 -0.362 3.445 3.960 -0.256 0.000 0.217 262 G C 1.409 176.004 174.900 -0.508 0.000 1.158 262 G CA 1.796 46.545 45.100 -0.585 0.000 0.771 262 G HN -0.295 7.678 8.290 -0.528 0.000 0.545 263 M N 1.672 120.888 119.600 -0.639 0.000 2.175 263 M HA -0.422 3.950 4.480 -0.179 0.000 0.264 263 M C 2.211 178.413 176.300 -0.163 0.000 1.063 263 M CA 4.019 59.135 55.300 -0.306 0.000 1.119 263 M CB -0.123 32.291 32.600 -0.311 0.000 1.377 263 M HN -0.174 7.635 8.290 -0.800 0.000 0.415 264 R N -1.097 119.300 120.500 -0.171 0.000 2.092 264 R HA -0.346 3.943 4.340 -0.085 0.000 0.231 264 R C 2.312 178.572 176.300 -0.066 0.000 1.119 264 R CA 3.764 59.803 56.100 -0.102 0.000 0.970 264 R CB -0.366 29.875 30.300 -0.099 0.000 0.864 264 R HN -0.038 8.100 8.270 -0.221 0.000 0.440 265 K N -0.559 119.800 120.400 -0.068 0.000 2.057 265 K HA -0.322 3.986 4.320 -0.019 0.000 0.207 265 K C 2.212 178.814 176.600 0.004 0.000 1.049 265 K CA 3.093 59.366 56.287 -0.023 0.000 0.931 265 K CB -0.228 32.267 32.500 -0.007 0.000 0.714 265 K HN -0.455 7.735 8.250 -0.101 0.000 0.440 266 A N -0.542 122.287 122.820 0.014 0.000 1.873 266 A HA -0.290 4.066 4.320 0.059 0.000 0.215 266 A C 1.947 179.545 177.584 0.023 0.000 1.186 266 A CA 3.041 55.106 52.037 0.046 0.000 0.616 266 A CB -0.525 18.530 19.000 0.092 0.000 0.823 266 A HN -0.552 7.594 8.150 -0.006 0.000 0.442 267 L N -2.023 119.200 121.223 -0.000 0.000 2.083 267 L HA -0.311 4.186 4.340 0.003 -0.155 0.209 267 L C 3.425 180.294 176.870 -0.002 0.000 1.083 267 L CA 2.658 57.495 54.840 -0.005 0.000 0.752 267 L CB -0.229 41.817 42.059 -0.022 0.000 0.899 267 L HN -0.057 8.165 8.230 -0.014 0.000 0.433 268 E N -0.905 119.292 120.200 -0.005 0.000 2.204 268 E HA -0.260 4.088 4.350 -0.004 0.000 0.195 268 E C 1.139 177.743 176.600 0.006 0.000 0.990 268 E CA 2.413 58.812 56.400 -0.002 0.000 0.821 268 E CB -0.249 29.447 29.700 -0.007 0.000 0.750 268 E HN -0.369 7.984 8.360 -0.010 0.000 0.477 269 K N -4.066 116.342 120.400 0.013 0.000 2.404 269 K HA 0.113 4.442 4.320 0.016 0.000 0.194 269 K C 0.436 177.049 176.600 0.022 0.000 1.023 269 K CA -1.065 55.233 56.287 0.019 0.000 1.094 269 K CB 0.043 32.559 32.500 0.027 0.000 0.841 269 K HN -0.698 7.430 8.250 0.014 0.130 0.523 270 G N -1.852 106.960 108.800 0.019 0.000 2.157 270 G HA2 -0.305 3.668 3.960 0.022 0.000 0.248 270 G HA3 -0.305 3.665 3.960 0.017 0.000 0.248 270 G C -0.100 174.817 174.900 0.028 0.000 0.979 270 G CA -0.036 45.077 45.100 0.021 0.000 0.650 270 G HN -0.530 7.581 8.290 0.016 0.188 0.529 271 V N 1.287 121.221 119.914 0.033 0.000 2.637 271 V HA -0.214 4.060 4.120 0.044 -0.128 0.296 271 V C 0.203 176.317 176.094 0.033 0.000 1.046 271 V CA 0.241 62.566 62.300 0.041 0.000 1.066 271 V CB 0.219 32.075 31.823 0.055 0.000 0.968 271 V HN -0.497 7.657 8.190 0.032 0.055 0.483 272 V N 7.246 127.181 119.914 0.035 0.000 2.461 272 V HA -0.010 4.116 4.120 0.011 0.000 0.275 272 V C -1.428 174.676 176.094 0.018 0.000 1.047 272 V CA -0.781 61.531 62.300 0.020 0.000 0.955 272 V CB 0.049 31.887 31.823 0.025 0.000 0.988 272 V HN 0.040 8.255 8.190 0.041 0.000 0.471 273 V N 8.359 128.274 119.914 0.002 0.000 2.398 273 V HA 0.393 4.697 4.120 0.038 -0.161 0.286 273 V C -1.292 174.783 176.094 -0.031 0.000 1.026 273 V CA -1.715 60.592 62.300 0.011 0.000 0.868 273 V CB 1.457 33.286 31.823 0.010 0.000 0.982 273 V HN 0.476 8.661 8.190 -0.008 0.000 0.443 274 M N 9.251 128.837 119.600 -0.023 0.000 2.134 274 M HA 0.421 4.804 4.480 -0.161 0.000 0.310 274 M C -2.697 173.612 176.300 0.016 0.000 0.966 274 M CA -1.937 53.302 55.300 -0.102 0.000 0.922 274 M CB 2.662 35.134 32.600 -0.213 0.000 1.537 274 M HN 0.798 9.102 8.290 0.023 0.000 0.424 275 R N 7.701 128.220 120.500 0.030 0.000 2.196 275 R HA 0.259 4.771 4.340 0.287 0.000 0.340 275 R C -1.020 175.326 176.300 0.076 0.000 1.043 275 R CA -0.265 55.928 56.100 0.155 0.000 0.883 275 R CB -0.004 30.401 30.300 0.174 0.000 1.078 275 R HN 0.658 8.802 8.270 -0.026 0.111 0.462 276 S N 1.965 117.697 115.700 0.053 0.000 2.618 276 S HA 0.357 4.850 4.470 0.037 0.000 0.284 276 S C -1.870 172.680 174.600 -0.083 0.000 1.102 276 S CA -1.688 56.518 58.200 0.010 0.000 0.984 276 S CB 1.590 64.811 63.200 0.036 0.000 1.280 276 S HN 0.289 8.640 8.310 0.068 0.000 0.525 277 T N -1.907 112.586 114.554 -0.100 0.000 2.912 277 T HA 0.363 4.784 4.350 -0.226 -0.207 0.299 277 T C 0.031 174.627 174.700 -0.172 0.000 1.052 277 T CA -1.608 60.399 62.100 -0.154 0.000 0.996 277 T CB 2.063 70.884 68.868 -0.079 0.000 1.070 277 T HN 0.105 8.309 8.240 -0.060 0.000 0.465 278 R N 5.444 125.787 120.500 -0.262 0.000 2.299 278 R HA 0.069 4.314 4.340 -0.157 0.000 0.197 278 R C 1.263 177.504 176.300 -0.097 0.000 0.971 278 R CA 2.074 58.038 56.100 -0.226 0.000 1.030 278 R CB -0.023 29.967 30.300 -0.517 0.000 0.932 278 R HN 0.507 8.585 8.270 -0.320 0.000 0.477 279 T N -2.148 112.353 114.554 -0.088 0.000 2.821 279 T HA -0.133 4.191 4.350 -0.044 0.000 0.267 279 T C 1.039 175.719 174.700 -0.033 0.000 1.046 279 T CA 1.917 63.986 62.100 -0.051 0.000 1.139 279 T CB 0.306 69.146 68.868 -0.046 0.000 0.871 279 T HN -0.523 7.583 8.240 -0.103 0.073 0.454 280 G N -0.948 107.831 108.800 -0.035 0.000 2.380 280 G HA2 -0.216 3.724 3.960 -0.032 0.000 0.197 280 G HA3 -0.216 3.723 3.960 -0.034 0.000 0.197 280 G C -1.176 173.706 174.900 -0.031 0.000 1.001 280 G CA -0.458 44.622 45.100 -0.033 0.000 0.668 280 G HN 0.271 8.537 8.290 -0.040 0.000 0.483 281 N N 0.473 119.157 118.700 -0.027 0.000 2.591 281 N HA 0.155 4.881 4.740 -0.022 0.000 0.263 281 N C -1.245 174.255 175.510 -0.016 0.000 1.308 281 N CA 0.012 53.047 53.050 -0.025 0.000 0.837 281 N CB 2.619 41.084 38.487 -0.037 0.000 1.548 281 N HN -0.679 7.684 8.380 -0.028 0.000 0.493 282 G N 0.096 108.889 108.800 -0.013 0.000 2.631 282 G HA2 -0.259 3.697 3.960 -0.008 0.000 0.504 282 G HA3 -0.259 3.693 3.960 -0.013 0.000 0.504 282 G C -1.692 173.222 174.900 0.023 0.000 1.306 282 G CA -0.582 44.516 45.100 -0.004 0.000 0.897 282 G HN 0.223 8.503 8.290 -0.017 0.000 0.520 283 I N 0.483 121.070 120.570 0.029 0.000 2.331 283 I HA 0.134 4.524 4.170 0.078 -0.174 0.292 283 I C 0.151 176.301 176.117 0.055 0.000 0.998 283 I CA -1.746 59.588 61.300 0.057 0.000 1.267 283 I CB 0.292 38.326 38.000 0.056 0.000 1.386 283 I HN 0.049 8.270 8.210 0.018 0.000 0.476 284 V N 8.499 128.458 119.914 0.075 0.000 2.353 284 V HA 0.306 4.457 4.120 0.051 0.000 0.264 284 V C -1.733 174.415 176.094 0.090 0.000 1.049 284 V CA -3.614 58.727 62.300 0.068 0.000 0.896 284 V CB -0.133 31.727 31.823 0.063 0.000 1.025 284 V HN 0.144 8.389 8.190 0.092 0.000 0.475 285 P HA 0.375 4.857 4.420 0.103 0.000 0.279 285 P C -1.922 175.426 177.300 0.079 0.000 1.252 285 P CA -2.567 60.581 63.100 0.080 0.000 0.811 285 P CB -0.683 31.047 31.700 0.049 0.000 1.035 286 P HA 0.067 4.531 4.420 0.074 0.000 0.269 286 P C -1.558 175.767 177.300 0.043 0.000 1.215 286 P CA 0.219 63.363 63.100 0.074 0.000 0.780 286 P CB 0.367 32.120 31.700 0.088 0.000 0.898 287 D N 0.397 120.815 120.400 0.031 0.000 2.452 287 D HA 0.079 4.729 4.640 0.016 0.000 0.226 287 D C 0.592 176.897 176.300 0.008 0.000 1.366 287 D CA -0.492 53.518 54.000 0.017 0.000 0.986 287 D CB 1.104 41.912 40.800 0.014 0.000 1.420 287 D HN -0.363 8.026 8.370 0.032 0.000 0.583 288 E N 4.338 124.542 120.200 0.006 0.000 2.409 288 E HA -0.239 4.111 4.350 0.000 0.000 0.198 288 E C 0.188 176.783 176.600 -0.009 0.000 1.024 288 E CA 1.501 57.901 56.400 -0.000 0.000 0.861 288 E CB -0.296 29.405 29.700 0.002 0.000 0.788 288 E HN 0.351 8.716 8.360 0.008 0.000 0.521 289 E N -1.917 118.277 120.200 -0.010 0.000 2.478 289 E HA 0.057 4.396 4.350 -0.018 0.000 0.194 289 E C -0.386 176.198 176.600 -0.027 0.000 1.045 289 E CA 0.144 56.534 56.400 -0.017 0.000 0.868 289 E CB 0.633 30.325 29.700 -0.015 0.000 0.885 289 E HN -0.500 8.090 8.360 -0.006 -0.234 0.505 290 L N -0.540 120.667 121.223 -0.026 0.000 2.334 290 L HA 0.300 4.609 4.340 -0.052 0.000 0.272 290 L C -2.504 174.337 176.870 -0.047 0.000 1.020 290 L CA -2.952 51.863 54.840 -0.040 0.000 0.812 290 L CB 0.771 42.812 42.059 -0.030 0.000 1.264 290 L HN -0.831 7.332 8.230 -0.018 0.056 0.439 291 P HA 0.129 4.514 4.420 -0.059 0.000 0.272 291 P C -0.644 176.620 177.300 -0.060 0.000 1.230 291 P CA -0.316 62.741 63.100 -0.072 0.000 0.788 291 P CB 0.714 32.350 31.700 -0.107 0.000 0.949 292 G N -2.358 106.413 108.800 -0.049 0.000 2.725 292 G HA2 -0.278 3.655 3.960 -0.045 0.000 0.220 292 G HA3 -0.278 3.656 3.960 -0.043 0.000 0.220 292 G C -1.185 173.688 174.900 -0.045 0.000 1.357 292 G CA -0.570 44.503 45.100 -0.045 0.000 0.866 292 G HN -0.274 7.989 8.290 -0.046 0.000 0.548 293 L N -1.202 119.978 121.223 -0.071 0.000 2.416 293 L HA 0.476 4.774 4.340 -0.070 0.000 0.263 293 L C -0.063 176.746 176.870 -0.101 0.000 1.065 293 L CA -1.094 53.684 54.840 -0.103 0.000 0.798 293 L CB 2.312 44.259 42.059 -0.186 0.000 1.267 293 L HN 0.117 8.300 8.230 -0.077 0.000 0.467 294 V N -5.535 114.314 119.914 -0.109 0.000 2.769 294 V HA 0.665 4.926 4.120 -0.038 -0.164 0.312 294 V C -0.674 175.364 176.094 -0.094 0.000 1.061 294 V CA -2.798 59.470 62.300 -0.054 0.000 0.931 294 V CB 3.015 34.858 31.823 0.034 0.000 1.010 294 V HN 0.138 8.589 8.190 -0.119 -0.332 0.433 295 S N -0.034 115.671 115.700 0.009 0.000 2.605 295 S HA 0.042 4.592 4.470 0.135 0.000 0.217 295 S C 0.160 174.932 174.600 0.286 0.000 0.958 295 S CA 0.000 58.295 58.200 0.158 0.000 0.919 295 S CB 1.143 64.454 63.200 0.186 0.000 0.780 295 S HN -0.017 8.313 8.310 0.034 0.000 0.507 296 D N 1.234 121.763 120.400 0.215 0.000 3.528 296 D HA -0.463 4.344 4.640 0.279 0.000 0.163 296 D C -0.471 175.946 176.300 0.195 0.000 1.069 296 D CA 2.536 56.694 54.000 0.264 0.000 1.082 296 D CB -1.010 39.998 40.800 0.346 0.000 0.538 296 D HN -0.687 7.722 8.370 0.170 0.063 0.579 297 S N 0.192 116.004 115.700 0.187 0.000 2.597 297 S HA 0.301 5.071 4.470 0.107 -0.236 0.224 297 S C 0.352 175.038 174.600 0.144 0.000 0.955 297 S CA 0.164 58.444 58.200 0.134 0.000 0.933 297 S CB 0.152 63.414 63.200 0.103 0.000 0.788 297 S HN 0.159 8.597 8.310 0.213 0.000 0.488 298 L N 3.782 125.113 121.223 0.180 0.000 2.360 298 L HA -0.020 4.408 4.340 0.147 0.000 0.276 298 L C -0.680 176.282 176.870 0.153 0.000 1.121 298 L CA 0.483 55.427 54.840 0.173 0.000 0.845 298 L CB 0.387 42.577 42.059 0.219 0.000 1.143 298 L HN -0.616 7.678 8.230 0.218 0.067 0.452 299 N N 3.833 122.598 118.700 0.107 0.000 2.317 299 N HA 0.105 4.866 4.740 0.034 0.000 0.245 299 N C -0.330 175.213 175.510 0.055 0.000 1.294 299 N CA -1.622 51.449 53.050 0.034 0.000 0.924 299 N CB -0.818 37.641 38.487 -0.047 0.000 1.186 299 N HN -0.110 8.346 8.380 0.127 0.000 0.495 300 P HA -0.250 4.220 4.420 0.082 0.000 0.216 300 P C 0.698 178.042 177.300 0.073 0.000 1.153 300 P CA 3.247 66.380 63.100 0.056 0.000 0.848 300 P CB -0.117 31.603 31.700 0.033 0.000 0.787 301 A N -3.074 119.751 122.820 0.009 0.000 1.902 301 A HA -0.317 4.036 4.320 0.055 0.000 0.217 301 A C 1.837 179.493 177.584 0.119 0.000 1.181 301 A CA 2.745 54.793 52.037 0.017 0.000 0.623 301 A CB -0.753 18.198 19.000 -0.081 0.000 0.818 301 A HN 0.104 8.232 8.150 -0.036 0.000 0.443 302 H N -1.343 117.763 119.070 0.061 0.000 2.357 302 H HA -0.338 nan 4.556 nan 0.000 0.301 302 H C 2.249 177.688 175.328 0.184 0.000 1.082 302 H CA 2.341 58.428 56.048 0.064 0.000 1.342 302 H CB 0.249 29.878 29.762 -0.222 0.000 1.389 302 H HN -0.234 8.327 8.280 -0.054 -0.314 0.511 303 A N -0.982 122.032 122.820 0.322 0.000 1.908 303 A HA -0.412 4.225 4.320 0.529 0.000 0.218 303 A C 1.404 179.219 177.584 0.386 0.000 1.181 303 A CA 3.599 55.902 52.037 0.443 0.000 0.627 303 A CB -0.719 18.532 19.000 0.419 0.000 0.818 303 A HN 0.384 8.695 8.150 0.268 0.000 0.445 304 R N -1.735 118.918 120.500 0.256 0.000 2.081 304 R HA -0.322 4.136 4.340 0.197 0.000 0.235 304 R C 1.938 178.344 176.300 0.176 0.000 1.131 304 R CA 3.406 59.623 56.100 0.197 0.000 0.960 304 R CB -0.017 30.369 30.300 0.143 0.000 0.856 304 R HN -0.450 7.956 8.270 0.226 0.000 0.436 305 I N -0.702 119.984 120.570 0.194 0.000 2.163 305 I HA -0.379 3.874 4.170 0.139 0.000 0.243 305 I C 2.187 178.257 176.117 -0.078 0.000 1.085 305 I CA 2.823 64.198 61.300 0.126 0.000 1.347 305 I CB -1.103 37.028 38.000 0.219 0.000 1.044 305 I HN -0.740 7.614 8.210 0.239 0.000 0.408 306 L N -0.374 120.806 121.223 -0.071 0.000 2.093 306 L HA -0.249 3.708 4.340 -0.638 0.000 0.208 306 L C 1.974 178.741 176.870 -0.172 0.000 1.085 306 L CA 3.239 57.860 54.840 -0.365 0.000 0.755 306 L CB -0.451 41.290 42.059 -0.530 0.000 0.904 306 L HN -0.447 7.848 8.230 0.109 0.000 0.435 307 L N -0.501 120.841 121.223 0.198 0.000 2.046 307 L HA -0.385 4.192 4.340 0.395 0.000 0.208 307 L C 1.651 178.570 176.870 0.081 0.000 1.077 307 L CA 3.140 58.144 54.840 0.274 0.000 0.747 307 L CB -0.418 41.816 42.059 0.290 0.000 0.896 307 L HN -0.123 8.276 8.230 0.281 0.000 0.432 308 M N -1.587 118.033 119.600 0.033 0.000 2.082 308 M HA -0.550 3.955 4.480 0.042 0.000 0.258 308 M C 2.634 178.881 176.300 -0.088 0.000 1.069 308 M CA 4.579 59.885 55.300 0.010 0.000 1.102 308 M CB -0.081 32.553 32.600 0.056 0.000 1.336 308 M HN -0.436 7.888 8.290 0.057 0.000 0.404 309 L N -2.696 118.347 121.223 -0.301 0.000 2.093 309 L HA -0.311 3.815 4.340 -0.356 0.000 0.208 309 L C 2.566 179.153 176.870 -0.472 0.000 1.085 309 L CA 2.419 56.927 54.840 -0.554 0.000 0.755 309 L CB -0.450 40.924 42.059 -1.142 0.000 0.904 309 L HN -0.559 7.474 8.230 -0.328 0.000 0.435 310 A N 0.406 122.997 122.820 -0.382 0.000 1.892 310 A HA -0.357 4.068 4.320 0.175 0.000 0.218 310 A C 1.606 179.311 177.584 0.202 0.000 1.188 310 A CA 3.065 55.152 52.037 0.084 0.000 0.631 310 A CB -0.714 18.485 19.000 0.332 0.000 0.822 310 A HN 0.253 8.152 8.150 -0.418 0.000 0.447 311 L N -6.578 114.710 121.223 0.107 0.000 2.456 311 L HA -0.039 4.592 4.340 0.131 -0.212 0.224 311 L C 1.209 178.134 176.870 0.092 0.000 1.148 311 L CA 1.103 56.007 54.840 0.107 0.000 0.825 311 L CB -0.205 41.903 42.059 0.082 0.000 0.937 311 L HN -0.393 7.862 8.230 0.061 0.012 0.450 312 T N -5.237 109.363 114.554 0.076 0.000 3.085 312 T HA -0.172 4.220 4.350 0.071 0.000 0.263 312 T C 0.754 175.521 174.700 0.110 0.000 1.127 312 T CA 2.021 64.169 62.100 0.080 0.000 1.103 312 T CB 0.441 69.343 68.868 0.057 0.000 0.921 312 T HN -0.543 7.568 8.240 0.046 0.156 0.510 313 R N -0.859 119.740 120.500 0.165 0.000 2.225 313 R HA 0.274 4.690 4.340 0.127 0.000 0.194 313 R C 0.022 176.419 176.300 0.163 0.000 0.949 313 R CA 0.617 56.823 56.100 0.177 0.000 1.088 313 R CB 2.440 32.898 30.300 0.264 0.000 1.106 313 R HN -0.252 7.958 8.270 0.192 0.175 0.566 314 T N -2.357 112.306 114.554 0.181 0.000 2.827 314 T HA 0.205 4.614 4.350 0.097 0.000 0.328 314 T C -1.688 173.083 174.700 0.119 0.000 1.598 314 T CA -0.577 61.600 62.100 0.129 0.000 1.043 314 T CB 0.918 69.855 68.868 0.114 0.000 1.447 314 T HN -0.360 8.006 8.240 0.210 0.000 0.491 315 S N 2.256 118.003 115.700 0.078 0.000 2.578 315 S HA 0.144 4.662 4.470 0.079 0.000 0.231 315 S C -0.719 173.907 174.600 0.043 0.000 0.994 315 S CA -0.824 57.415 58.200 0.064 0.000 0.956 315 S CB 0.633 63.864 63.200 0.052 0.000 0.870 315 S HN 0.327 8.676 8.310 0.065 0.000 0.494 316 D N 4.564 124.983 120.400 0.033 0.000 2.401 316 D HA 0.212 4.858 4.640 0.010 0.000 0.254 316 D C -0.133 176.166 176.300 -0.001 0.000 1.192 316 D CA -1.302 52.703 54.000 0.009 0.000 0.885 316 D CB 2.120 42.917 40.800 -0.005 0.000 1.147 316 D HN -0.671 7.664 8.370 0.040 0.059 0.478 317 P HA -0.119 nan 4.420 nan 0.000 0.219 317 P C 1.374 178.662 177.300 -0.020 0.000 1.150 317 P CA 1.952 65.045 63.100 -0.011 0.000 0.814 317 P CB 0.434 32.126 31.700 -0.012 0.000 0.787 318 K N -1.906 118.481 120.400 -0.021 0.000 2.103 318 K HA -0.243 4.074 4.320 -0.005 0.000 0.204 318 K C 2.309 178.878 176.600 -0.053 0.000 1.052 318 K CA 3.497 59.773 56.287 -0.019 0.000 0.945 318 K CB -0.349 32.145 32.500 -0.011 0.000 0.722 318 K HN -0.721 7.640 8.250 -0.018 -0.121 0.443 319 V N 0.553 120.405 119.914 -0.102 0.000 2.295 319 V HA -0.419 3.556 4.120 -0.242 0.000 0.246 319 V C 1.848 177.723 176.094 -0.366 0.000 1.049 319 V CA 3.899 66.046 62.300 -0.255 0.000 1.024 319 V CB -0.600 31.058 31.823 -0.274 0.000 0.648 319 V HN -0.369 8.062 8.190 -0.078 -0.287 0.447 320 I N -0.877 119.604 120.570 -0.148 0.000 2.208 320 I HA -0.624 3.650 4.170 0.172 0.000 0.245 320 I C 1.882 178.105 176.117 0.177 0.000 1.097 320 I CA 4.308 65.661 61.300 0.088 0.000 1.363 320 I CB -0.587 37.503 38.000 0.150 0.000 1.051 320 I HN -0.494 7.661 8.210 -0.090 0.000 0.413 321 Q N -0.125 119.698 119.800 0.038 0.000 2.096 321 Q HA -0.407 3.913 4.340 -0.035 0.000 0.204 321 Q C 2.286 178.327 176.000 0.068 0.000 0.982 321 Q CA 3.032 58.840 55.803 0.009 0.000 0.850 321 Q CB -0.593 28.139 28.738 -0.011 0.000 0.901 321 Q HN -0.151 8.116 8.270 -0.004 0.000 0.422 322 E N -0.897 119.359 120.200 0.094 0.000 2.106 322 E HA -0.273 nan 4.350 nan 0.000 0.192 322 E C 2.906 179.690 176.600 0.308 0.000 0.984 322 E CA 2.312 58.818 56.400 0.176 0.000 0.806 322 E CB -0.459 29.280 29.700 0.064 0.000 0.750 322 E HN -0.599 7.776 8.360 0.024 0.000 0.458 323 Y N -0.098 120.388 120.300 0.309 0.000 2.165 323 Y HA -0.294 4.584 4.550 0.547 0.000 0.286 323 Y C 2.624 178.721 175.900 0.328 0.000 1.155 323 Y CA 1.502 59.852 58.100 0.417 0.000 1.164 323 Y CB -0.805 37.878 38.460 0.373 0.000 0.978 323 Y HN -0.265 8.094 8.280 0.131 0.000 0.513 324 F N -4.798 115.320 119.950 0.279 0.000 2.365 324 F HA -0.363 4.296 4.527 0.220 0.000 0.300 324 F C 0.914 176.774 175.800 0.100 0.000 1.090 324 F CA 3.600 61.679 58.000 0.132 0.000 1.408 324 F CB -0.224 38.759 39.000 -0.028 0.000 1.060 324 F HN -0.640 8.039 8.300 0.648 0.010 0.534 325 H N -6.311 112.958 119.070 0.331 0.000 2.548 325 H HA 0.275 5.167 4.556 0.209 -0.211 0.265 325 H C 1.003 176.427 175.328 0.159 0.000 0.969 325 H CA 1.009 57.185 56.048 0.214 0.000 1.155 325 H CB 0.570 30.429 29.762 0.162 0.000 1.394 325 H HN -0.694 7.614 8.280 0.264 0.130 0.570 326 T N -4.001 110.714 114.554 0.268 0.000 2.954 326 T HA 0.067 4.460 4.350 0.072 0.000 0.252 326 T C -0.775 173.883 174.700 -0.071 0.000 0.983 326 T CA 1.026 63.174 62.100 0.080 0.000 0.941 326 T CB 1.937 70.814 68.868 0.014 0.000 1.141 326 T HN -0.492 7.774 8.240 0.326 0.170 0.500 327 Y N 0.000 120.384 120.300 0.140 0.000 2.660 327 Y HA 0.000 4.627 4.550 0.128 0.000 0.201 327 Y CA 0.000 58.178 58.100 0.130 0.000 1.940 327 Y CB 0.000 38.518 38.460 0.097 0.000 1.050 327 Y HN 0.000 8.485 8.280 0.342 0.000 0.758