============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 1 0.900 58.301 65.939 1.388 -99.200 -91.000 PHE 6 1.000 50.002 57.599 -0.565 -99.200 -91.000 TYR 19 0.840 42.895 47.477 0.894 -99.200 -91.000 HIS 28 0.900 35.398 58.355 -6.254 -99.200 -91.000 HIS 37 0.900 59.779 60.304 -5.018 -99.200 -91.000 HIS 54 0.900 37.439 44.830 4.769 -99.200 -91.000 TYR 61 0.840 58.970 49.411 3.672 -99.200 -91.000 PHE 77 1.000 49.464 51.015 7.961 -99.200 -91.000 PHE 79 1.000 55.228 52.223 4.748 -99.200 -91.000 PHE 87 1.000 59.119 47.453 -0.857 -99.200 -91.000 TYR 89 0.840 47.622 48.829 -1.082 -99.200 -91.000 TYR 90 0.840 49.187 40.975 2.781 -99.200 -91.000 HIS 96 0.900 38.057 40.084 3.862 -99.200 -91.000 TYR 160 0.840 39.335 79.322 -1.938 -99.200 -91.000 TYR 162 0.840 44.424 81.338 -1.822 -99.200 -91.000 TRP 163 1.040 38.050 87.276 -3.172 -99.200 -91.000 TRP6 163 1.020 35.940 87.650 -2.154 -99.200 -91.000 PHE 165 1.000 43.954 93.736 3.005 -99.200 -91.000 PHE 173 1.000 55.077 92.623 11.121 -99.200 -91.000 HIS 185 0.900 47.664 107.563 -0.372 -99.200 -91.000 HIS 189 0.900 43.819 94.735 -10.978 -99.200 -91.000 HIS 196 0.900 38.082 92.830 -2.137 -99.200 -91.000 PHE 200 1.000 45.088 99.321 8.685 -99.200 -91.000 HIS 201 0.900 41.467 93.359 15.233 -99.200 -91.000 PHE 212 1.000 36.917 107.593 8.370 -99.200 -91.000 PHE 225 1.000 45.517 103.943 10.796 -99.200 -91.000 TYR 233 0.840 47.173 96.994 18.107 -99.200 -91.000 TYR 235 0.840 46.702 94.374 7.538 -99.200 -91.000 HIS 236 0.900 39.256 92.141 10.091 -99.200 -91.000 HIS 245 0.900 35.168 90.845 1.102 -99.200 -91.000 TYR 251 0.840 44.291 85.526 6.806 -99.200 -91.000 PHE 269 1.000 62.155 83.249 11.334 -99.200 -91.000 TYR 270 0.840 53.226 88.832 8.364 -99.200 -91.000 TYR 277 0.840 35.504 77.722 6.923 -99.200 -91.000 PHE 282 1.000 44.138 68.451 3.530 -99.200 -91.000 TYR 292 0.840 26.243 81.196 3.670 -99.200 -91.000 TYR 302 0.840 42.205 72.463 1.414 -99.200 -91.000 PHE 303 1.000 41.539 74.223 10.845 -99.200 -91.000 PHE 305 1.000 51.019 77.322 11.057 -99.200 -91.000 HIS 316 0.900 57.153 80.828 1.568 -99.200 -91.000 TYR 319 0.840 65.760 77.568 5.347 -99.200 -91.000 PHE 329 1.000 56.913 90.781 15.257 -99.200 -91.000 PHE 330 1.000 50.037 81.872 15.247 -99.200 -91.000 PHE 337 1.000 37.423 76.150 13.650 -99.200 -91.000 PHE 341 1.000 52.997 79.562 16.812 -99.200 -91.000 HIS 342 0.900 54.413 72.808 21.266 -99.200 -91.000 PHE 348 1.000 56.053 79.397 21.792 -99.200 -91.000 HIS 350 0.900 61.052 86.762 27.871 -99.200 -91.000 TYR 352 0.840 56.431 90.444 24.248 -99.200 -91.000 PHE 380 1.000 61.392 80.119 19.381 -99.200 -91.000 TYR 388 0.840 64.273 73.272 16.989 -99.200 -91.000 HIS 393 0.900 49.838 69.890 20.852 -99.200 -91.000 HIS 400 0.900 41.056 68.947 8.015 -99.200 -91.000 PHE 405 1.000 58.685 70.604 7.979 -99.200 -91.000 HIS 418 0.900 73.541 62.039 24.732 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dv6A1 HIS 24 HA 0.40 -0.05 0.08 -0.75 4.63 4.30 2dv6A1 HIS 24 HB2 0.09 -0.22 0.13 -0.04 3.26 3.22 2dv6A1 HIS 24 HB3 0.15 -0.01 0.01 -0.04 3.20 3.31 2dv6A1 HIS 24 HD2 0.00 0.37 -0.10 -0.04 6.97 7.20 2dv6A1 HIS 24 HE1 -0.03 -0.07 0.03 -0.04 7.75 7.63 2dv6A1 ALA 25 H 0.29 -0.03 0.03 -0.55 8.40 8.15 2dv6A1 ALA 25 HA 0.18 0.07 0.47 -0.75 4.34 4.30 2dv6A1 ALA 25 HB3 0.03 -0.01 0.05 -0.04 1.41 1.44 2dv6A1 PRO 26 HA -0.06 0.18 0.56 -0.51 4.44 4.61 2dv6A1 PRO 26 HB2 -0.12 -0.01 -0.17 -0.04 2.28 1.93 2dv6A1 PRO 26 HB3 -0.11 -0.03 -0.06 -0.04 2.02 1.78 2dv6A1 PRO 26 HG2 -0.07 -0.00 -0.02 -0.04 2.03 1.90 2dv6A1 PRO 26 HG3 -0.07 0.00 -0.02 -0.04 2.03 1.91 2dv6A1 PRO 26 HD2 0.00 0.04 0.16 -0.04 3.68 3.84 2dv6A1 PRO 26 HD3 -0.00 0.13 0.12 -0.04 3.65 3.86 2dv6A1 VAL 27 H -0.09 0.40 0.31 -0.55 8.24 8.31 2dv6A1 VAL 27 HA -0.19 0.09 0.79 -0.75 4.13 4.07 2dv6A1 VAL 27 HB -0.03 0.05 0.12 -0.04 2.12 2.23 2dv6A1 VAL 27 HG13 -0.03 0.00 0.07 -0.04 0.97 0.96 2dv6A1 VAL 27 HG23 -0.40 0.00 -0.03 -0.04 0.95 0.49 2dv6A1 VAL 28 H -0.37 0.19 0.12 -0.55 8.24 7.63 2dv6A1 VAL 28 HA -0.28 0.24 0.83 -0.75 4.13 4.17 2dv6A1 VAL 28 HB -0.16 -0.01 0.06 -0.04 2.12 1.97 2dv6A1 VAL 28 HG13 -0.12 -0.02 -0.21 -0.04 0.97 0.58 2dv6A1 VAL 28 HG23 -0.13 0.03 -0.23 -0.04 0.95 0.58 2dv6A1 PHE 29 H -0.12 0.67 0.35 -0.55 8.34 8.69 2dv6A1 PHE 29 HA -0.09 0.14 0.88 -0.75 4.62 4.80 2dv6A1 PHE 29 HB2 -0.18 -0.03 0.09 -0.04 3.15 2.99 2dv6A1 PHE 29 HB3 -0.13 0.01 -0.07 -0.04 3.06 2.83 2dv6A1 PHE 29 HD2 -0.12 0.03 -0.08 -0.04 7.28 7.08 2dv6A1 PHE 29 HE2 -0.07 -0.03 -0.11 -0.04 7.38 7.13 2dv6A1 PHE 29 HZ -0.03 0.21 -0.15 -0.04 7.32 7.30 2dv6A1 THR 30 H 0.03 0.27 0.15 -0.55 8.28 8.18 2dv6A1 THR 30 HA -0.01 0.20 1.10 -0.75 4.39 4.93 2dv6A1 THR 30 HB -0.02 0.12 0.16 -0.04 4.32 4.54 2dv6A1 THR 30 HG23 -0.01 -0.00 -0.13 -0.04 1.22 1.04 2dv6A1 LEU 31 H 0.01 0.78 0.34 -0.55 8.37 8.95 2dv6A1 LEU 31 HA 0.03 0.27 0.85 -0.75 4.35 4.75 2dv6A1 LEU 31 HB2 0.00 -0.05 0.01 -0.04 1.64 1.57 2dv6A1 LEU 31 HB3 0.11 -0.03 -0.10 -0.04 1.64 1.58 2dv6A1 LEU 31 HG -0.14 -0.04 -0.37 -0.04 1.64 1.05 2dv6A1 LEU 31 HD13 -0.68 -0.01 -0.21 -0.04 0.93 -0.01 2dv6A1 LEU 31 HD23 -0.08 0.04 -0.23 -0.04 0.89 0.58 2dv6A1 ARG 32 H 0.05 0.69 0.29 -0.55 8.46 8.93 2dv6A1 ARG 32 HA 0.05 0.35 1.09 -0.75 4.34 5.08 2dv6A1 ARG 32 HB2 0.02 0.02 0.07 -0.04 1.90 1.97 2dv6A1 ARG 32 HB3 0.01 -0.03 -0.01 -0.04 1.80 1.74 2dv6A1 ARG 32 HG2 -0.01 0.13 -0.01 -0.04 1.67 1.73 2dv6A1 ARG 32 HG3 0.01 -0.04 -0.20 -0.04 1.67 1.40 2dv6A1 ARG 32 HD2 0.00 0.01 -0.06 -0.04 3.22 3.13 2dv6A1 ARG 32 HD3 -0.02 -0.01 -0.06 -0.04 3.22 3.09 2dv6A1 THR 33 H 0.01 0.32 0.36 -0.55 8.28 8.42 2dv6A1 THR 33 HA -0.14 0.27 0.96 -0.75 4.39 4.73 2dv6A1 THR 33 HB -0.61 0.09 0.11 -0.04 4.32 3.88 2dv6A1 THR 33 HG23 -0.26 0.05 -0.12 -0.04 1.22 0.85 2dv6A1 GLY 34 H -0.13 0.67 0.34 -0.55 8.43 8.77 2dv6A1 GLY 34 HA2 -0.01 -0.03 0.26 -0.51 4.01 3.71 2dv6A1 GLY 34 HA3 -0.01 0.12 0.39 -0.51 4.01 4.00 2dv6A1 ILE 35 H -0.00 0.20 0.13 -0.55 8.25 8.03 2dv6A1 ILE 35 HA -0.03 0.38 1.01 -0.75 4.18 4.79 2dv6A1 ILE 35 HB -0.00 -0.03 0.14 -0.04 1.89 1.96 2dv6A1 ILE 35 HG12 -0.01 -0.09 -0.05 -0.04 1.49 1.30 2dv6A1 ILE 35 HG13 -0.01 0.02 -0.04 -0.04 1.21 1.14 2dv6A1 ILE 35 HG23 -0.01 -0.01 -0.20 -0.04 0.93 0.67 2dv6A1 ILE 35 HD13 -0.03 0.02 -0.17 -0.04 0.88 0.66 2dv6A1 ALA 36 H -0.01 0.74 0.26 -0.55 8.40 8.84 2dv6A1 ALA 36 HA 0.01 0.08 0.58 -0.75 4.34 4.26 2dv6A1 ALA 36 HB3 0.02 0.03 -0.09 -0.04 1.41 1.34 2dv6A1 GLU 37 H 0.01 0.17 0.14 -0.55 8.60 8.37 2dv6A1 GLU 37 HA 0.01 0.03 0.34 -0.75 4.29 3.91 2dv6A1 GLU 37 HB2 0.01 0.15 0.05 -0.04 2.09 2.26 2dv6A1 GLU 37 HB3 0.01 0.02 0.25 -0.04 1.99 2.23 2dv6A1 GLU 37 HG2 0.01 0.01 0.08 -0.04 2.34 2.40 2dv6A1 GLU 37 HG3 0.02 -0.06 -0.04 -0.04 2.34 2.21 2dv6A1 GLY 38 H 0.00 -0.01 -0.45 -0.55 8.43 7.42 2dv6A1 GLY 38 HA2 -0.00 -0.05 0.22 -0.51 4.01 3.67 2dv6A1 GLY 38 HA3 -0.00 0.12 0.44 -0.51 4.01 4.05 2dv6A1 ARG 39 H -0.01 0.40 -0.11 -0.55 8.46 8.19 2dv6A1 ARG 39 HA -0.02 0.15 0.92 -0.75 4.34 4.64 2dv6A1 ARG 39 HB2 -0.01 -0.02 -0.07 -0.04 1.90 1.76 2dv6A1 ARG 39 HB3 -0.02 0.29 0.20 -0.04 1.80 2.23 2dv6A1 ARG 39 HG2 -0.01 0.06 0.02 -0.04 1.67 1.71 2dv6A1 ARG 39 HG3 -0.01 -0.03 -0.46 -0.04 1.67 1.13 2dv6A1 ARG 39 HD2 -0.00 -0.05 -0.02 -0.04 3.22 3.11 2dv6A1 ARG 39 HD3 -0.00 0.01 -0.05 -0.04 3.22 3.14 2dv6A1 MET 40 H -0.05 0.30 0.19 -0.55 8.47 8.36 2dv6A1 MET 40 HA -0.07 0.17 0.87 -0.75 4.52 4.73 2dv6A1 MET 40 HB2 -0.10 -0.03 0.09 -0.04 2.15 2.06 2dv6A1 MET 40 HB3 -0.13 -0.01 0.05 -0.04 2.03 1.91 2dv6A1 MET 40 HG2 -0.17 0.01 -0.15 -0.04 2.63 2.28 2dv6A1 MET 40 HG3 -0.09 -0.02 -0.02 -0.04 2.56 2.39 2dv6A1 MET 40 HE3 -0.07 -0.01 -0.06 -0.04 2.10 1.91 2dv6A1 VAL 41 H -0.12 0.67 0.38 -0.55 8.24 8.63 2dv6A1 VAL 41 HA -0.11 0.18 0.66 -0.75 4.13 4.11 2dv6A1 VAL 41 HB 0.03 -0.01 0.11 -0.04 2.12 2.21 2dv6A1 VAL 41 HG13 -0.01 0.03 -0.41 -0.04 0.97 0.54 2dv6A1 VAL 41 HG23 -0.00 -0.02 -0.29 -0.04 0.95 0.60 2dv6A1 TYR 42 H 0.15 0.17 0.18 -0.55 8.29 8.24 2dv6A1 TYR 42 HA -0.01 0.21 0.91 -0.75 4.56 4.92 2dv6A1 TYR 42 HB2 0.17 -0.05 0.01 -0.04 3.06 3.15 2dv6A1 TYR 42 HB3 0.08 0.06 -0.08 -0.04 2.98 3.00 2dv6A1 TYR 42 HD2 0.10 0.03 -0.17 -0.04 7.15 7.06 2dv6A1 TYR 42 HE2 0.11 0.03 -0.33 -0.04 6.85 6.62 2dv6A1 ILE 43 H 0.12 0.74 0.31 -0.55 8.25 8.87 2dv6A1 ILE 43 HA 0.08 0.30 0.93 -0.75 4.18 4.73 2dv6A1 ILE 43 HB 0.01 -0.04 -0.04 -0.04 1.89 1.78 2dv6A1 ILE 43 HG12 0.05 0.03 -0.28 -0.04 1.49 1.24 2dv6A1 ILE 43 HG13 0.04 -0.15 -0.91 -0.04 1.21 0.15 2dv6A1 ILE 43 HG23 0.00 0.06 -0.20 -0.04 0.93 0.75 2dv6A1 ILE 43 HD13 0.02 -0.01 -0.33 -0.04 0.88 0.52 2dv6A1 GLY 44 H 0.04 0.68 0.26 -0.55 8.43 8.86 2dv6A1 GLY 44 HA2 0.02 0.14 0.62 -0.51 4.01 4.28 2dv6A1 GLY 44 HA3 0.02 0.20 0.37 -0.51 4.01 4.09 2dv6A1 VAL 45 H -0.01 0.61 0.26 -0.55 8.24 8.55 2dv6A1 VAL 45 HA -0.12 0.03 0.88 -0.75 4.13 4.17 2dv6A1 VAL 45 HB -0.03 -0.03 0.07 -0.04 2.12 2.09 2dv6A1 VAL 45 HG13 -0.05 -0.00 -0.13 -0.04 0.97 0.75 2dv6A1 VAL 45 HG23 -0.05 0.02 -0.23 -0.04 0.95 0.66 2dv6A1 GLY 46 H -0.05 0.04 0.05 -0.55 8.43 7.92 2dv6A1 GLY 46 HA2 -0.03 -0.00 0.31 -0.51 4.01 3.77 2dv6A1 GLY 46 HA3 -0.07 0.16 0.36 -0.51 4.01 3.96 2dv6A1 GLY 47 H -0.09 0.80 0.36 -0.55 8.43 8.95 2dv6A1 GLY 47 HA2 -0.07 0.10 0.44 -0.51 4.01 3.97 2dv6A1 GLY 47 HA3 -0.04 0.02 0.47 -0.51 4.01 3.95 2dv6A1 ASP 48 H 0.04 0.16 0.22 -0.55 8.40 8.27 2dv6A1 ASP 48 HA 0.03 0.13 0.67 -0.75 4.63 4.71 2dv6A1 ASP 48 HB2 0.05 0.02 0.18 -0.04 2.71 2.92 2dv6A1 ASP 48 HB3 0.04 -0.00 0.14 -0.04 2.70 2.84 2dv6A1 ILE 49 H 0.06 0.30 -0.26 -0.55 8.25 7.80 2dv6A1 ILE 49 HA 0.05 0.21 0.76 -0.75 4.18 4.44 2dv6A1 ILE 49 HB 0.04 -0.05 0.11 -0.04 1.89 1.95 2dv6A1 ILE 49 HG12 0.12 0.05 -0.02 -0.04 1.49 1.59 2dv6A1 ILE 49 HG13 0.05 -0.08 -0.24 -0.04 1.21 0.90 2dv6A1 ILE 49 HG23 0.06 -0.01 -0.14 -0.04 0.93 0.81 2dv6A1 ILE 49 HD13 0.11 -0.01 -0.01 -0.04 0.88 0.93 2dv6A1 ASP 50 H 0.04 0.23 -0.36 -0.55 8.40 7.76 2dv6A1 ASP 50 HA -0.02 -0.07 0.01 -0.75 4.63 3.80 2dv6A1 ASP 50 HB2 0.02 0.08 -0.02 -0.04 2.71 2.75 2dv6A1 ASP 50 HB3 0.08 0.04 0.05 -0.04 2.70 2.83 2dv6A1 HIS 51 H -0.17 0.56 0.23 -0.55 8.41 8.49 2dv6A1 HIS 51 HA 0.03 0.04 0.35 -0.75 4.63 4.30 2dv6A1 HIS 51 HB2 0.02 0.18 -0.01 -0.04 3.26 3.41 2dv6A1 HIS 51 HB3 0.02 -0.06 0.21 -0.04 3.20 3.33 2dv6A1 HIS 51 HD2 0.01 -0.02 -0.15 -0.04 6.97 6.76 2dv6A1 HIS 51 HE1 0.02 -0.01 0.00 -0.04 7.75 7.71 2dv6A1 LYS 52 H 0.05 0.54 -0.27 -0.55 8.42 8.19 2dv6A1 LYS 52 HA 0.07 0.08 0.72 -0.75 4.32 4.44 2dv6A1 LYS 52 HB2 0.05 0.02 0.08 -0.04 1.87 1.98 2dv6A1 LYS 52 HB3 0.05 0.02 -0.01 -0.04 1.79 1.81 2dv6A1 LYS 52 HG2 0.06 -0.01 -0.12 -0.04 1.46 1.34 2dv6A1 LYS 52 HG3 0.06 0.07 -0.37 -0.04 1.46 1.18 2dv6A1 LYS 52 HD2 0.04 -0.00 0.05 -0.04 1.69 1.74 2dv6A1 LYS 52 HD3 0.04 -0.04 0.01 -0.04 1.68 1.64 2dv6A1 LYS 52 HE2 0.03 -0.07 0.01 -0.04 2.99 2.92 2dv6A1 LYS 52 HE3 0.04 0.02 -0.04 -0.04 2.99 2.96 2dv6A1 ILE 53 H 0.05 0.12 0.15 -0.55 8.25 8.02 2dv6A1 ILE 53 HA 0.07 0.14 0.63 -0.75 4.18 4.27 2dv6A1 ILE 53 HB 0.04 -0.03 0.13 -0.04 1.89 1.99 2dv6A1 ILE 53 HG12 0.04 -0.00 0.05 -0.04 1.49 1.53 2dv6A1 ILE 53 HG13 0.03 -0.03 -0.11 -0.04 1.21 1.06 2dv6A1 ILE 53 HG23 0.04 0.01 -0.11 -0.04 0.93 0.83 2dv6A1 ILE 53 HD13 0.05 -0.01 -0.16 -0.04 0.88 0.72 2dv6A1 ASN 54 H 0.14 0.76 0.31 -0.55 8.53 9.20 2dv6A1 ASN 54 HA 0.25 -0.08 0.29 -0.75 4.76 4.46 2dv6A1 ASN 54 HB2 0.05 0.03 -0.11 -0.04 2.88 2.81 2dv6A1 ASN 54 HB3 0.01 0.05 0.26 -0.04 2.79 3.07 2dv6A1 ASN 54 HD21 0.03 0.23 0.22 -0.04 7.03 7.47 2dv6A1 ASN 54 HD22 0.03 -0.04 0.08 -0.04 7.74 7.76 2dv6A1 PRO 55 HA 0.06 0.06 0.27 -0.51 4.44 4.32 2dv6A1 PRO 55 HB2 0.02 0.08 -0.17 -0.04 2.28 2.16 2dv6A1 PRO 55 HB3 0.05 0.02 0.01 -0.04 2.02 2.06 2dv6A1 PRO 55 HG2 0.03 -0.03 -0.11 -0.04 2.03 1.88 2dv6A1 PRO 55 HG3 0.05 0.02 0.02 -0.04 2.03 2.07 2dv6A1 PRO 55 HD2 0.18 -0.05 -0.11 -0.04 3.68 3.66 2dv6A1 PRO 55 HD3 0.10 0.41 -0.28 -0.04 3.65 3.84 2dv6A1 THR 56 H 0.03 0.11 0.18 -0.55 8.28 8.05 2dv6A1 THR 56 HA 0.06 0.34 0.84 -0.75 4.39 4.87 2dv6A1 THR 56 HB 0.01 -0.03 0.12 -0.04 4.32 4.39 2dv6A1 THR 56 HG23 0.01 -0.02 -0.21 -0.04 1.22 0.95 2dv6A1 LEU 57 H -0.04 0.63 0.37 -0.55 8.37 8.79 2dv6A1 LEU 57 HA -0.54 0.10 0.69 -0.75 4.35 3.84 2dv6A1 LEU 57 HB2 -0.37 -0.09 0.18 -0.04 1.64 1.32 2dv6A1 LEU 57 HB3 -1.55 0.01 -0.05 -0.04 1.64 0.01 2dv6A1 LEU 57 HG -0.25 0.17 -0.08 -0.04 1.64 1.45 2dv6A1 LEU 57 HD13 -0.62 -0.02 -0.15 -0.04 0.93 0.10 2dv6A1 LEU 57 HD23 -0.54 -0.00 -0.29 -0.04 0.89 0.02 2dv6A1 VAL 58 H -0.04 0.20 0.09 -0.55 8.24 7.94 2dv6A1 VAL 58 HA -0.01 0.28 1.29 -0.75 4.13 4.93 2dv6A1 VAL 58 HB -0.01 0.01 0.06 -0.04 2.12 2.13 2dv6A1 VAL 58 HG13 0.02 -0.01 -0.09 -0.04 0.97 0.84 2dv6A1 VAL 58 HG23 -0.01 0.01 -0.11 -0.04 0.95 0.80 2dv6A1 VAL 59 H -0.03 0.70 0.43 -0.55 8.24 8.79 2dv6A1 VAL 59 HA 0.14 0.10 0.69 -0.75 4.13 4.30 2dv6A1 VAL 59 HB 0.05 0.07 -0.13 -0.04 2.12 2.07 2dv6A1 VAL 59 HG13 0.01 -0.03 -0.16 -0.04 0.97 0.75 2dv6A1 VAL 59 HG23 0.21 -0.01 -0.32 -0.04 0.95 0.78 2dv6A1 HIS 60 H 0.16 0.18 0.17 -0.55 8.41 8.37 2dv6A1 HIS 60 HA 0.06 0.23 1.01 -0.75 4.63 5.18 2dv6A1 HIS 60 HB2 0.05 -0.09 0.04 -0.04 3.26 3.23 2dv6A1 HIS 60 HB3 0.04 0.33 -0.07 -0.04 3.20 3.46 2dv6A1 HIS 60 HD2 0.08 -0.03 -0.18 -0.04 6.97 6.80 2dv6A1 HIS 60 HE1 0.05 -0.00 -0.17 -0.04 7.75 7.58 2dv6A1 GLU 61 H 0.12 0.68 0.21 -0.55 8.60 9.07 2dv6A1 GLU 61 HA 0.09 0.17 0.37 -0.75 4.29 4.15 2dv6A1 GLU 61 HB2 0.09 -0.02 0.02 -0.04 2.09 2.14 2dv6A1 GLU 61 HB3 0.08 -0.04 0.14 -0.04 1.99 2.13 2dv6A1 GLU 61 HG2 0.06 0.04 -0.21 -0.04 2.34 2.18 2dv6A1 GLU 61 HG3 0.09 0.04 -0.12 -0.04 2.34 2.30 2dv6A1 GLY 62 H 0.05 0.62 0.15 -0.55 8.43 8.70 2dv6A1 GLY 62 HA2 0.00 -0.08 0.22 -0.51 4.01 3.64 2dv6A1 GLY 62 HA3 -0.01 0.11 0.53 -0.51 4.01 4.13 2dv6A1 GLU 63 H -0.01 0.55 -0.21 -0.55 8.60 8.38 2dv6A1 GLU 63 HA -0.11 0.15 0.57 -0.75 4.29 4.15 2dv6A1 GLU 63 HB2 -0.01 -0.02 0.12 -0.04 2.09 2.14 2dv6A1 GLU 63 HB3 -0.04 0.02 -0.01 -0.04 1.99 1.92 2dv6A1 GLU 63 HG2 -0.09 0.11 0.02 -0.04 2.34 2.33 2dv6A1 GLU 63 HG3 0.03 0.11 -0.03 -0.04 2.34 2.41 2dv6A1 THR 64 H -0.11 0.26 0.15 -0.55 8.28 8.03 2dv6A1 THR 64 HA -0.21 0.12 0.84 -0.75 4.39 4.38 2dv6A1 THR 64 HB -0.10 0.02 0.12 -0.04 4.32 4.31 2dv6A1 THR 64 HG23 -0.14 -0.02 -0.20 -0.04 1.22 0.82 2dv6A1 VAL 65 H -0.58 0.77 0.33 -0.55 8.24 8.22 2dv6A1 VAL 65 HA -0.26 0.21 0.80 -0.75 4.13 4.12 2dv6A1 VAL 65 HB -1.74 -0.05 0.09 -0.04 2.12 0.37 2dv6A1 VAL 65 HG13 -0.14 -0.01 -0.25 -0.04 0.97 0.53 2dv6A1 VAL 65 HG23 -0.33 0.01 -0.18 -0.04 0.95 0.41 2dv6A1 GLN 66 H -0.23 0.82 0.34 -0.55 8.47 8.86 2dv6A1 GLN 66 HA -0.30 0.23 1.09 -0.75 4.36 4.62 2dv6A1 GLN 66 HB2 -0.17 -0.03 -0.11 -0.04 2.15 1.80 2dv6A1 GLN 66 HB3 -0.18 -0.00 -0.00 -0.04 2.02 1.79 2dv6A1 GLN 66 HG2 -0.15 -0.03 -0.31 -0.04 2.40 1.87 2dv6A1 GLN 66 HG3 -0.14 0.04 -0.08 -0.04 2.39 2.17 2dv6A1 GLN 66 HE21 -0.09 0.00 -0.11 -0.04 6.97 6.73 2dv6A1 GLN 66 HE22 -0.09 -0.02 -0.17 -0.04 7.69 7.37 2dv6A1 VAL 67 H -0.52 0.75 0.35 -0.55 8.24 8.26 2dv6A1 VAL 67 HA -0.12 0.29 1.06 -0.75 4.13 4.60 2dv6A1 VAL 67 HB -1.01 -0.05 -0.01 -0.04 2.12 1.01 2dv6A1 VAL 67 HG13 -0.09 -0.01 -0.25 -0.04 0.97 0.58 2dv6A1 VAL 67 HG23 -0.21 -0.01 -0.29 -0.04 0.95 0.41 2dv6A1 ASN 68 H -0.05 0.76 0.37 -0.55 8.53 9.07 2dv6A1 ASN 68 HA 0.01 0.12 0.96 -0.75 4.76 5.10 2dv6A1 ASN 68 HB2 -0.02 -0.06 0.20 -0.04 2.88 2.96 2dv6A1 ASN 68 HB3 -0.01 0.02 -0.06 -0.04 2.79 2.70 2dv6A1 ASN 68 HD21 -0.08 0.01 -0.14 -0.04 7.03 6.79 2dv6A1 ASN 68 HD22 -0.05 -0.01 -0.13 -0.04 7.74 7.51 2dv6A1 LEU 69 H 0.08 0.79 0.35 -0.55 8.37 9.05 2dv6A1 LEU 69 HA 0.07 0.26 0.89 -0.75 4.35 4.82 2dv6A1 LEU 69 HB2 0.15 -0.04 -0.06 -0.04 1.64 1.65 2dv6A1 LEU 69 HB3 0.11 -0.05 0.16 -0.04 1.64 1.83 2dv6A1 LEU 69 HG 0.19 -0.06 -0.26 -0.04 1.64 1.47 2dv6A1 LEU 69 HD13 0.15 -0.02 -0.30 -0.04 0.93 0.71 2dv6A1 LEU 69 HD23 0.21 0.01 -0.24 -0.04 0.89 0.83 2dv6A1 VAL 70 H 0.07 0.77 0.41 -0.55 8.24 8.94 2dv6A1 VAL 70 HA 0.05 0.26 0.94 -0.75 4.13 4.63 2dv6A1 VAL 70 HB 0.03 -0.05 0.06 -0.04 2.12 2.12 2dv6A1 VAL 70 HG13 0.03 0.04 -0.14 -0.04 0.97 0.86 2dv6A1 VAL 70 HG23 0.02 0.01 -0.22 -0.04 0.95 0.72 2dv6A1 ASN 71 H 0.07 0.72 0.10 -0.55 8.53 8.87 2dv6A1 ASN 71 HA 0.12 -0.06 0.52 -0.75 4.76 4.59 2dv6A1 ASN 71 HB2 0.12 0.06 -0.09 -0.04 2.88 2.93 2dv6A1 ASN 71 HB3 0.08 0.06 0.10 -0.04 2.79 2.99 2dv6A1 ASN 71 HD21 0.04 0.43 -0.30 -0.04 7.03 7.16 2dv6A1 ASN 71 HD22 0.09 -0.02 -0.55 -0.04 7.74 7.22 2dv6A1 GLY 72 H 0.05 0.05 0.30 -0.55 8.43 8.29 2dv6A1 GLY 72 HA2 0.03 0.13 0.68 -0.51 4.01 4.34 2dv6A1 GLY 72 HA3 0.03 0.42 0.45 -0.51 4.01 4.40 2dv6A1 GLU 73 H 0.09 -0.07 0.06 -0.55 8.60 8.13 2dv6A1 GLU 73 HA 0.04 0.35 1.00 -0.75 4.29 4.92 2dv6A1 GLU 73 HB2 0.03 0.06 0.06 -0.04 2.09 2.20 2dv6A1 GLU 73 HB3 0.03 -0.00 -0.13 -0.04 1.99 1.84 2dv6A1 GLU 73 HG2 0.05 0.02 -0.27 -0.04 2.34 2.11 2dv6A1 GLU 73 HG3 0.04 0.03 -0.12 -0.04 2.34 2.25 2dv6A1 GLY 74 H 0.09 -0.02 -0.05 -0.55 8.43 7.91 2dv6A1 GLY 74 HA2 0.03 -0.07 0.17 -0.51 4.01 3.64 2dv6A1 GLY 74 HA3 0.02 0.18 0.67 -0.51 4.01 4.37 2dv6A1 ALA 75 H 0.06 -0.10 -0.08 -0.55 8.40 7.73 2dv6A1 ALA 75 HA -0.05 0.14 0.74 -0.75 4.34 4.41 2dv6A1 ALA 75 HB3 -0.05 -0.01 0.02 -0.04 1.41 1.33 2dv6A1 GLN 76 H -0.12 0.06 0.14 -0.55 8.47 8.01 2dv6A1 GLN 76 HA -0.14 0.32 0.63 -0.75 4.36 4.43 2dv6A1 GLN 76 HB2 -0.08 0.02 0.11 -0.04 2.15 2.16 2dv6A1 GLN 76 HB3 -0.14 -0.07 0.10 -0.04 2.02 1.87 2dv6A1 GLN 76 HG2 -0.08 -0.06 -0.16 -0.04 2.40 2.05 2dv6A1 GLN 76 HG3 -0.06 0.04 -0.09 -0.04 2.39 2.25 2dv6A1 GLN 76 HE21 -0.03 0.00 -0.05 -0.04 6.97 6.85 2dv6A1 GLN 76 HE22 -0.03 0.01 -0.11 -0.04 7.69 7.51 2dv6A1 HIS 77 H -0.01 0.52 0.33 -0.55 8.41 8.71 2dv6A1 HIS 77 HA 0.03 0.05 0.79 -0.75 4.63 4.75 2dv6A1 HIS 77 HB2 0.07 -0.00 -0.10 -0.04 3.26 3.19 2dv6A1 HIS 77 HB3 0.09 0.07 0.01 -0.04 3.20 3.33 2dv6A1 HIS 77 HD2 0.04 -0.05 -0.13 -0.04 6.97 6.79 2dv6A1 HIS 77 HE1 -0.10 -0.01 -0.11 -0.04 7.75 7.48 2dv6A1 ASP 78 H 0.16 0.07 0.17 -0.55 8.40 8.25 2dv6A1 ASP 78 HA 0.08 0.26 0.14 -0.75 4.63 4.35 2dv6A1 ASP 78 HB2 -0.07 0.09 -0.02 -0.04 2.71 2.68 2dv6A1 ASP 78 HB3 -0.01 0.05 -0.11 -0.04 2.70 2.59 2dv6A1 VAL 79 H -0.07 0.25 0.11 -0.55 8.24 7.98 2dv6A1 VAL 79 HA 0.10 0.23 0.52 -0.75 4.13 4.23 2dv6A1 VAL 79 HB 0.02 -0.07 -0.03 -0.04 2.12 1.99 2dv6A1 VAL 79 HG13 -0.03 0.02 -0.25 -0.04 0.97 0.66 2dv6A1 VAL 79 HG23 0.07 0.02 -0.25 -0.04 0.95 0.75 2dv6A1 VAL 80 H -0.30 0.62 0.29 -0.55 8.24 8.30 2dv6A1 VAL 80 HA -0.28 0.23 1.01 -0.75 4.13 4.34 2dv6A1 VAL 80 HB -1.18 -0.01 0.02 -0.04 2.12 0.91 2dv6A1 VAL 80 HG13 -0.14 0.01 -0.21 -0.04 0.97 0.59 2dv6A1 VAL 80 HG23 -0.20 -0.02 -0.17 -0.04 0.95 0.51 2dv6A1 VAL 81 H -0.12 0.88 0.27 -0.55 8.24 8.72 2dv6A1 VAL 81 HA 0.04 0.24 1.13 -0.75 4.13 4.78 2dv6A1 VAL 81 HB -0.23 -0.07 0.10 -0.04 2.12 1.87 2dv6A1 VAL 81 HG13 -0.20 -0.03 -0.15 -0.04 0.97 0.55 2dv6A1 VAL 81 HG23 0.05 0.02 -0.20 -0.04 0.95 0.78 2dv6A1 ASP 82 H 0.17 0.79 0.26 -0.55 8.40 9.08 2dv6A1 ASP 82 HA 0.23 0.03 0.06 -0.75 4.63 4.20 2dv6A1 ASP 82 HB2 0.29 0.09 0.14 -0.04 2.71 3.19 2dv6A1 ASP 82 HB3 0.22 -0.12 0.21 -0.04 2.70 2.97 2dv6A1 GLN 83 H 0.17 0.06 -0.02 -0.55 8.47 8.14 2dv6A1 GLN 83 HA 0.02 0.39 1.25 -0.75 4.36 5.27 2dv6A1 GLN 83 HB2 0.06 0.03 0.02 -0.04 2.15 2.22 2dv6A1 GLN 83 HB3 0.03 0.04 0.12 -0.04 2.02 2.17 2dv6A1 GLN 83 HG2 0.15 -0.06 -0.34 -0.04 2.40 2.11 2dv6A1 GLN 83 HG3 0.49 -0.02 0.02 -0.04 2.39 2.84 2dv6A1 GLN 83 HE21 0.02 -0.00 -0.00 -0.04 6.97 6.94 2dv6A1 GLN 83 HE22 0.04 0.04 -0.03 -0.04 7.69 7.70 2dv6A1 TYR 84 H 0.01 0.08 -0.13 -0.55 8.29 7.70 2dv6A1 TYR 84 HA -0.14 0.17 0.55 -0.75 4.56 4.38 2dv6A1 TYR 84 HB2 -0.53 -0.05 0.00 -0.04 3.06 2.44 2dv6A1 TYR 84 HB3 -0.30 0.03 0.01 -0.04 2.98 2.69 2dv6A1 TYR 84 HD2 -0.35 -0.03 -0.02 -0.04 7.15 6.70 2dv6A1 TYR 84 HE2 -0.87 -0.08 0.02 -0.04 6.85 5.89 2dv6A1 ALA 85 H -0.00 0.22 -0.33 -0.55 8.40 7.74 2dv6A1 ALA 85 HA -0.02 0.03 0.24 -0.75 4.34 3.84 2dv6A1 ALA 85 HB3 -0.00 0.03 0.04 -0.04 1.41 1.43 2dv6A1 ALA 86 H -0.05 0.09 -0.15 -0.55 8.40 7.74 2dv6A1 ALA 86 HA 0.04 0.20 0.76 -0.75 4.34 4.59 2dv6A1 ALA 86 HB3 0.17 0.01 -0.05 -0.04 1.41 1.50 2dv6A1 ARG 87 H -0.23 0.34 0.16 -0.55 8.46 8.18 2dv6A1 ARG 87 HA -0.84 0.14 0.63 -0.75 4.34 3.51 2dv6A1 ARG 87 HB2 -0.30 0.08 0.17 -0.04 1.90 1.80 2dv6A1 ARG 87 HB3 -0.24 -0.06 -0.13 -0.04 1.80 1.34 2dv6A1 ARG 87 HG2 -0.13 -0.02 -0.18 -0.04 1.67 1.29 2dv6A1 ARG 87 HG3 -0.20 0.02 -0.21 -0.04 1.67 1.24 2dv6A1 ARG 87 HD2 -0.09 -0.04 -0.09 -0.04 3.22 2.95 2dv6A1 ARG 87 HD3 -0.14 0.06 -0.07 -0.04 3.22 3.03 2dv6A1 SER 88 H -0.73 0.35 0.24 -0.55 8.46 7.79 2dv6A1 SER 88 HA -0.27 0.12 0.60 -0.75 4.49 4.19 2dv6A1 SER 88 HB2 0.02 0.01 0.01 -0.04 3.95 3.95 2dv6A1 SER 88 HB3 -0.10 -0.01 0.01 -0.04 3.93 3.78 2dv6A1 ALA 89 H -0.03 0.10 0.11 -0.55 8.40 8.03 2dv6A1 ALA 89 HA -0.05 0.08 0.66 -0.75 4.34 4.28 2dv6A1 ALA 89 HB3 -0.01 0.02 0.11 -0.04 1.41 1.50 2dv6A1 ILE 90 H -0.02 0.09 0.11 -0.55 8.25 7.87 2dv6A1 ILE 90 HA 0.01 0.29 0.76 -0.75 4.18 4.49 2dv6A1 ILE 90 HB -0.02 -0.02 0.04 -0.04 1.89 1.85 2dv6A1 ILE 90 HG12 -0.02 -0.04 -0.18 -0.04 1.49 1.20 2dv6A1 ILE 90 HG13 -0.03 0.00 -0.06 -0.04 1.21 1.09 2dv6A1 ILE 90 HG23 -0.02 -0.01 -0.23 -0.04 0.93 0.62 2dv6A1 ILE 90 HD13 -0.03 0.00 -0.07 -0.04 0.88 0.74 2dv6A1 VAL 91 H 0.04 0.59 0.29 -0.55 8.24 8.61 2dv6A1 VAL 91 HA 0.03 0.02 0.61 -0.75 4.13 4.03 2dv6A1 VAL 91 HB 0.07 0.11 -0.15 -0.04 2.12 2.11 2dv6A1 VAL 91 HG13 0.14 -0.02 -0.16 -0.04 0.97 0.89 2dv6A1 VAL 91 HG23 0.05 -0.01 -0.57 -0.04 0.95 0.38 2dv6A1 ASN 92 H 0.02 0.08 0.12 -0.55 8.53 8.20 2dv6A1 ASN 92 HA -0.02 0.11 0.52 -0.75 4.76 4.61 2dv6A1 ASN 92 HB2 0.00 -0.02 0.12 -0.04 2.88 2.93 2dv6A1 ASN 92 HB3 -0.01 0.04 -0.05 -0.04 2.79 2.72 2dv6A1 ASN 92 HD21 -0.01 0.01 -0.12 -0.04 7.03 6.87 2dv6A1 ASN 92 HD22 -0.00 0.02 -0.02 -0.04 7.74 7.70 2dv6A1 GLY 93 H 0.02 0.02 0.12 -0.55 8.43 8.03 2dv6A1 GLY 93 HA2 0.01 0.27 0.76 -0.51 4.01 4.55 2dv6A1 GLY 93 HA3 0.01 0.06 0.29 -0.51 4.01 3.86 2dv6A1 LYS 94 H 0.02 0.15 0.08 -0.55 8.42 8.12 2dv6A1 LYS 94 HA 0.04 -0.01 0.20 -0.75 4.32 3.80 2dv6A1 LYS 94 HB2 0.03 0.02 -0.10 -0.04 1.87 1.78 2dv6A1 LYS 94 HB3 0.02 -0.03 0.07 -0.04 1.79 1.80 2dv6A1 LYS 94 HG2 0.02 -0.04 -0.16 -0.04 1.46 1.25 2dv6A1 LYS 94 HG3 0.03 0.10 -0.06 -0.04 1.46 1.48 2dv6A1 LYS 94 HD2 0.03 0.05 -0.03 -0.04 1.69 1.69 2dv6A1 LYS 94 HD3 0.02 -0.06 -0.02 -0.04 1.68 1.58 2dv6A1 LYS 94 HE2 0.02 -0.07 0.01 -0.04 2.99 2.90 2dv6A1 LYS 94 HE3 0.03 0.02 0.06 -0.04 2.99 3.05 2dv6A1 ASN 95 H 0.04 0.81 0.28 -0.55 8.53 9.11 2dv6A1 ASN 95 HA 0.03 0.04 0.37 -0.75 4.76 4.44 2dv6A1 ASN 95 HB2 0.02 0.18 0.21 -0.04 2.88 3.25 2dv6A1 ASN 95 HB3 0.02 -0.05 0.09 -0.04 2.79 2.81 2dv6A1 ASN 95 HD21 0.02 -0.02 -0.07 -0.04 7.03 6.92 2dv6A1 ASN 95 HD22 0.02 0.00 -0.06 -0.04 7.74 7.66 2dv6A1 ALA 96 H 0.03 0.42 -0.61 -0.55 8.40 7.70 2dv6A1 ALA 96 HA 0.03 0.03 0.48 -0.75 4.34 4.12 2dv6A1 ALA 96 HB3 0.03 -0.01 0.08 -0.04 1.41 1.47 2dv6A1 SER 97 H 0.03 0.18 0.27 -0.55 8.46 8.40 2dv6A1 SER 97 HA 0.05 0.32 1.17 -0.75 4.49 5.28 2dv6A1 SER 97 HB2 0.02 -0.08 0.05 -0.04 3.95 3.90 2dv6A1 SER 97 HB3 0.03 0.02 0.03 -0.04 3.93 3.97 2dv6A1 SER 98 H 0.07 0.66 0.37 -0.55 8.46 9.01 2dv6A1 SER 98 HA 0.05 0.12 0.69 -0.75 4.49 4.60 2dv6A1 SER 98 HB2 0.04 0.08 -0.07 -0.04 3.95 3.96 2dv6A1 SER 98 HB3 0.06 0.02 0.03 -0.04 3.93 4.01 2dv6A1 THR 99 H 0.07 0.24 0.25 -0.55 8.28 8.29 2dv6A1 THR 99 HA 0.08 0.31 0.92 -0.75 4.39 4.95 2dv6A1 THR 99 HB 0.03 -0.07 0.03 -0.04 4.32 4.27 2dv6A1 THR 99 HG23 0.01 0.01 -0.05 -0.04 1.22 1.15 2dv6A1 PHE 100 H -0.02 0.60 0.40 -0.55 8.34 8.77 2dv6A1 PHE 100 HA -0.00 0.10 0.52 -0.75 4.62 4.48 2dv6A1 PHE 100 HB2 0.02 0.02 0.17 -0.04 3.15 3.32 2dv6A1 PHE 100 HB3 0.00 0.04 -0.11 -0.04 3.06 2.95 2dv6A1 PHE 100 HD2 0.04 0.05 -0.21 -0.04 7.28 7.11 2dv6A1 PHE 100 HE2 -0.01 -0.03 -0.31 -0.04 7.38 6.99 2dv6A1 PHE 100 HZ -0.06 -0.03 -0.32 -0.04 7.32 6.88 2dv6A1 SER 101 H 0.17 0.29 0.25 -0.55 8.46 8.62 2dv6A1 SER 101 HA -0.30 0.35 1.03 -0.75 4.49 4.81 2dv6A1 SER 101 HB2 -0.16 0.03 -0.03 -0.04 3.95 3.75 2dv6A1 SER 101 HB3 -0.13 -0.03 -0.19 -0.04 3.93 3.53 2dv6A1 PHE 102 H -0.47 0.61 0.36 -0.55 8.34 8.29 2dv6A1 PHE 102 HA -0.03 0.10 0.42 -0.75 4.62 4.35 2dv6A1 PHE 102 HB2 -0.08 0.06 0.09 -0.04 3.15 3.17 2dv6A1 PHE 102 HB3 0.01 0.07 -0.03 -0.04 3.06 3.07 2dv6A1 PHE 102 HD2 -0.45 0.08 -0.44 -0.04 7.28 6.43 2dv6A1 PHE 102 HE2 -0.55 -0.01 -0.21 -0.04 7.38 6.58 2dv6A1 PHE 102 HZ -0.26 0.01 -0.16 -0.04 7.32 6.87 2dv6A1 VAL 103 H 0.10 0.17 0.14 -0.55 8.24 8.10 2dv6A1 VAL 103 HA -0.15 0.26 0.85 -0.75 4.13 4.35 2dv6A1 VAL 103 HB 0.05 -0.05 0.13 -0.04 2.12 2.21 2dv6A1 VAL 103 HG13 -0.01 0.03 -0.27 -0.04 0.97 0.68 2dv6A1 VAL 103 HG23 -0.03 0.01 -0.04 -0.04 0.95 0.85 2dv6A1 ALA 104 H -0.15 0.90 0.14 -0.55 8.40 8.74 2dv6A1 ALA 104 HA -0.09 0.05 0.49 -0.75 4.34 4.03 2dv6A1 ALA 104 HB3 -0.05 0.03 0.01 -0.04 1.41 1.35 2dv6A1 SER 105 H 0.34 0.46 0.00 -0.55 8.46 8.72 2dv6A1 SER 105 HA 0.09 0.04 0.41 -0.75 4.49 4.28 2dv6A1 SER 105 HB2 0.08 -0.00 0.06 -0.04 3.95 4.04 2dv6A1 SER 105 HB3 0.10 0.00 -0.01 -0.04 3.93 3.98 2dv6A1 LYS 106 H 0.29 0.11 -0.21 -0.55 8.42 8.05 2dv6A1 LYS 106 HA 0.12 0.17 1.02 -0.75 4.32 4.88 2dv6A1 LYS 106 HB2 0.21 0.04 -0.08 -0.04 1.87 2.00 2dv6A1 LYS 106 HB3 0.11 0.03 0.02 -0.04 1.79 1.91 2dv6A1 LYS 106 HG2 -0.03 0.04 -0.11 -0.04 1.46 1.32 2dv6A1 LYS 106 HG3 -0.06 -0.15 -0.14 -0.04 1.46 1.07 2dv6A1 LYS 106 HD2 -0.80 -0.06 -0.08 -0.04 1.69 0.71 2dv6A1 LYS 106 HD3 -0.06 0.03 -0.06 -0.04 1.68 1.55 2dv6A1 LYS 106 HE2 -0.30 0.06 -0.07 -0.04 2.99 2.64 2dv6A1 LYS 106 HE3 -0.14 -0.00 -0.04 -0.04 2.99 2.77 2dv6A1 VAL 107 H 0.14 0.09 0.05 -0.55 8.24 7.97 2dv6A1 VAL 107 HA 0.19 0.15 0.34 -0.75 4.13 4.06 2dv6A1 VAL 107 HB 0.09 -0.05 0.07 -0.04 2.12 2.19 2dv6A1 VAL 107 HG13 0.06 0.03 0.01 -0.04 0.97 1.03 2dv6A1 VAL 107 HG23 0.09 -0.00 -0.14 -0.04 0.95 0.86 2dv6A1 GLY 108 H 0.14 0.57 0.33 -0.55 8.43 8.92 2dv6A1 GLY 108 HA2 -0.06 -0.02 0.31 -0.51 4.01 3.73 2dv6A1 GLY 108 HA3 -0.17 0.17 0.80 -0.51 4.01 4.30 2dv6A1 GLU 109 H -0.40 0.19 0.19 -0.55 8.60 8.03 2dv6A1 GLU 109 HA -0.04 0.29 1.08 -0.75 4.29 4.87 2dv6A1 GLU 109 HB2 -0.15 -0.03 0.12 -0.04 2.09 1.99 2dv6A1 GLU 109 HB3 -0.07 0.02 -0.01 -0.04 1.99 1.88 2dv6A1 GLU 109 HG2 -0.03 0.05 -0.10 -0.04 2.34 2.23 2dv6A1 GLU 109 HG3 -0.07 -0.05 -0.07 -0.04 2.34 2.10 2dv6A1 PHE 110 H 0.19 0.68 0.35 -0.55 8.34 9.02 2dv6A1 PHE 110 HA 0.05 0.11 0.91 -0.75 4.62 4.94 2dv6A1 PHE 110 HB2 0.14 0.02 0.05 -0.04 3.15 3.32 2dv6A1 PHE 110 HB3 0.12 -0.14 0.02 -0.04 3.06 3.02 2dv6A1 PHE 110 HD2 0.08 -0.01 -0.12 -0.04 7.28 7.20 2dv6A1 PHE 110 HE2 0.01 0.07 -0.24 -0.04 7.38 7.19 2dv6A1 PHE 110 HZ 0.01 0.14 -0.29 -0.04 7.32 7.14 2dv6A1 ASN 111 H 0.14 0.10 0.20 -0.55 8.53 8.43 2dv6A1 ASN 111 HA 0.04 0.32 0.80 -0.75 4.76 5.17 2dv6A1 ASN 111 HB2 0.14 -0.10 0.13 -0.04 2.88 3.00 2dv6A1 ASN 111 HB3 0.10 0.12 0.04 -0.04 2.79 3.01 2dv6A1 ASN 111 HD21 -0.02 0.02 -0.02 -0.04 7.03 6.97 2dv6A1 ASN 111 HD22 0.00 -0.03 0.02 -0.04 7.74 7.69 2dv6A1 TYR 112 H -0.17 0.62 0.34 -0.55 8.29 8.54 2dv6A1 TYR 112 HA 0.01 0.34 0.90 -0.75 4.56 5.05 2dv6A1 TYR 112 HB2 -0.08 -0.02 -0.03 -0.04 3.06 2.88 2dv6A1 TYR 112 HB3 -0.01 -0.02 -0.05 -0.04 2.98 2.85 2dv6A1 TYR 112 HD2 -0.24 -0.02 -0.38 -0.04 7.15 6.47 2dv6A1 TYR 112 HE2 -0.40 0.14 -0.17 -0.04 6.85 6.38 2dv6A1 TYR 113 H -0.16 0.39 0.32 -0.55 8.29 8.28 2dv6A1 TYR 113 HA 0.24 0.22 0.75 -0.75 4.56 5.02 2dv6A1 TYR 113 HB2 0.09 0.09 0.18 -0.04 3.06 3.38 2dv6A1 TYR 113 HB3 0.04 0.05 -0.16 -0.04 2.98 2.86 2dv6A1 TYR 113 HD2 0.06 0.08 -0.46 -0.04 7.15 6.79 2dv6A1 TYR 113 HE2 0.03 -0.03 -0.18 -0.04 6.85 6.64 2dv6A1 CYS 114 H 0.36 0.52 0.24 -0.55 8.50 9.06 2dv6A1 CYS 114 HA 0.17 0.13 0.73 -0.75 4.58 4.85 2dv6A1 CYS 114 HB2 0.18 0.13 0.08 -0.04 2.97 3.33 2dv6A1 CYS 114 HB3 0.22 -0.00 0.07 -0.04 2.97 3.22 2dv6A1 SER 115 H 0.06 0.09 0.03 -0.55 8.46 8.10 2dv6A1 SER 115 HA 0.25 0.17 0.40 -0.75 4.49 4.56 2dv6A1 SER 115 HB2 0.10 0.04 0.02 -0.04 3.95 4.07 2dv6A1 SER 115 HB3 0.05 0.04 -0.08 -0.04 3.93 3.89 2dv6A1 ILE 116 H -0.03 -0.04 -0.18 -0.55 8.25 7.45 2dv6A1 ILE 116 HA -0.13 0.07 0.54 -0.75 4.18 3.91 2dv6A1 ILE 116 HB -0.78 -0.00 0.01 -0.04 1.89 1.08 2dv6A1 ILE 116 HG12 -0.08 -0.22 -0.11 -0.04 1.49 1.05 2dv6A1 ILE 116 HG13 -0.19 0.14 -0.49 -0.04 1.21 0.63 2dv6A1 ILE 116 HG23 -0.47 0.05 -0.05 -0.04 0.93 0.42 2dv6A1 ILE 116 HD13 -0.08 0.02 -0.19 -0.04 0.88 0.59 2dv6A1 ALA 117 H -0.09 0.12 0.14 -0.55 8.40 8.02 2dv6A1 ALA 117 HA -0.00 0.03 0.31 -0.75 4.34 3.93 2dv6A1 ALA 117 HB3 -0.01 0.02 0.11 -0.04 1.41 1.49 2dv6A1 GLY 118 H 0.05 0.13 0.17 -0.55 8.43 8.23 2dv6A1 GLY 118 HA2 0.06 0.01 0.37 -0.51 4.01 3.94 2dv6A1 GLY 118 HA3 0.11 0.20 0.52 -0.51 4.01 4.33 2dv6A1 HIS 119 H 0.22 0.60 -0.41 -0.55 8.41 8.27 2dv6A1 HIS 119 HA 0.03 0.06 0.22 -0.75 4.63 4.18 2dv6A1 HIS 119 HB2 0.09 0.06 -0.00 -0.04 3.26 3.36 2dv6A1 HIS 119 HB3 0.06 -0.03 -0.01 -0.04 3.20 3.18 2dv6A1 HIS 119 HD2 0.02 0.04 -0.18 -0.04 6.97 6.81 2dv6A1 HIS 119 HE1 -0.24 0.04 0.01 -0.04 7.75 7.52 2dv6A1 ARG 120 H 0.15 0.20 -0.03 -0.55 8.46 8.22 2dv6A1 ARG 120 HA 0.12 0.14 0.55 -0.75 4.34 4.40 2dv6A1 ARG 120 HB2 0.18 0.07 0.16 -0.04 1.90 2.27 2dv6A1 ARG 120 HB3 0.05 -0.05 0.11 -0.04 1.80 1.87 2dv6A1 ARG 120 HG2 -0.06 -0.04 -0.14 -0.04 1.67 1.39 2dv6A1 ARG 120 HG3 0.01 0.02 -0.17 -0.04 1.67 1.49 2dv6A1 ARG 120 HD2 -0.09 0.01 -0.07 -0.04 3.22 3.02 2dv6A1 ARG 120 HD3 0.03 0.03 -0.00 -0.04 3.22 3.24 2dv6A1 GLN 121 H 0.05 0.02 -0.28 -0.55 8.47 7.71 2dv6A1 GLN 121 HA 0.00 0.09 0.36 -0.75 4.36 4.06 2dv6A1 GLN 121 HB2 0.02 0.07 0.12 -0.04 2.15 2.32 2dv6A1 GLN 121 HB3 0.01 0.03 -0.00 -0.04 2.02 2.02 2dv6A1 GLN 121 HG2 -0.01 0.04 0.01 -0.04 2.40 2.40 2dv6A1 GLN 121 HG3 -0.00 -0.08 -0.00 -0.04 2.39 2.26 2dv6A1 GLN 121 HE21 0.00 -0.01 0.00 -0.04 6.97 6.92 2dv6A1 GLN 121 HE22 -0.00 0.03 0.00 -0.04 7.69 7.68 2dv6A1 ALA 122 H 0.03 0.46 -0.04 -0.55 8.40 8.31 2dv6A1 ALA 122 HA -0.01 0.03 0.55 -0.75 4.34 4.16 2dv6A1 ALA 122 HB3 -0.04 -0.03 0.13 -0.04 1.41 1.42 2dv6A1 GLY 123 H 0.01 0.19 -0.41 -0.55 8.43 7.68 2dv6A1 GLY 123 HA2 -0.00 -0.01 0.24 -0.51 4.01 3.73 2dv6A1 GLY 123 HA3 -0.02 0.14 0.90 -0.51 4.01 4.52 2dv6A1 MET 124 H 0.01 0.45 0.23 -0.55 8.47 8.62 2dv6A1 MET 124 HA -0.05 0.01 0.56 -0.75 4.52 4.28 2dv6A1 MET 124 HB2 0.06 -0.08 -0.05 -0.04 2.15 2.04 2dv6A1 MET 124 HB3 -0.26 -0.09 0.02 -0.04 2.03 1.66 2dv6A1 MET 124 HG2 -0.31 0.00 -0.45 -0.04 2.63 1.83 2dv6A1 MET 124 HG3 -0.11 0.14 -0.16 -0.04 2.56 2.38 2dv6A1 MET 124 HE3 -1.00 0.01 -0.17 -0.04 2.10 0.90 2dv6A1 GLU 125 H 0.10 0.56 0.37 -0.55 8.60 9.08 2dv6A1 GLU 125 HA 0.08 0.18 0.88 -0.75 4.29 4.68 2dv6A1 GLU 125 HB2 0.07 -0.02 -0.10 -0.04 2.09 2.01 2dv6A1 GLU 125 HB3 0.01 0.03 -0.07 -0.04 1.99 1.92 2dv6A1 GLU 125 HG2 -0.07 -0.01 -0.26 -0.04 2.34 1.95 2dv6A1 GLU 125 HG3 -0.03 0.10 0.11 -0.04 2.34 2.48 2dv6A1 GLY 126 H -0.86 0.48 0.33 -0.55 8.43 7.84 2dv6A1 GLY 126 HA2 -0.24 0.18 0.52 -0.51 4.01 3.96 2dv6A1 GLY 126 HA3 -0.63 0.12 0.33 -0.51 4.01 3.32 2dv6A1 ASN 127 H -0.07 0.28 0.10 -0.55 8.53 8.29 2dv6A1 ASN 127 HA 0.02 0.25 1.19 -0.75 4.76 5.47 2dv6A1 ASN 127 HB2 0.01 -0.04 -0.00 -0.04 2.88 2.81 2dv6A1 ASN 127 HB3 0.03 0.03 -0.10 -0.04 2.79 2.71 2dv6A1 ASN 127 HD21 -0.03 0.02 -0.10 -0.04 7.03 6.88 2dv6A1 ASN 127 HD22 -0.02 -0.00 -0.06 -0.04 7.74 7.62 2dv6A1 ILE 128 H 0.20 0.81 0.36 -0.55 8.25 9.08 2dv6A1 ILE 128 HA 0.05 0.20 0.92 -0.75 4.18 4.60 2dv6A1 ILE 128 HB 0.26 -0.07 0.11 -0.04 1.89 2.16 2dv6A1 ILE 128 HG12 0.03 0.05 -0.08 -0.04 1.49 1.45 2dv6A1 ILE 128 HG13 0.30 -0.03 -0.19 -0.04 1.21 1.25 2dv6A1 ILE 128 HG23 0.14 0.02 -0.19 -0.04 0.93 0.85 2dv6A1 ILE 128 HD13 0.11 -0.02 -0.15 -0.04 0.88 0.79 2dv6A1 GLN 129 H 0.04 0.47 0.09 -0.55 8.47 8.52 2dv6A1 GLN 129 HA 0.11 0.19 1.00 -0.75 4.36 4.91 2dv6A1 GLN 129 HB2 0.01 -0.03 0.10 -0.04 2.15 2.19 2dv6A1 GLN 129 HB3 0.01 0.03 -0.07 -0.04 2.02 1.96 2dv6A1 GLN 129 HG2 0.01 0.02 -0.04 -0.04 2.40 2.35 2dv6A1 GLN 129 HG3 0.02 -0.06 -0.18 -0.04 2.39 2.13 2dv6A1 GLN 129 HE21 0.00 0.01 -0.05 -0.04 6.97 6.90 2dv6A1 GLN 129 HE22 0.00 -0.02 -0.07 -0.04 7.69 7.57 2dv6A1 VAL 130 H 0.27 0.66 0.20 -0.55 8.24 8.81 2dv6A1 VAL 130 HA 0.07 0.15 0.73 -0.75 4.13 4.32 2dv6A1 VAL 130 HB 0.37 0.01 0.15 -0.04 2.12 2.61 2dv6A1 VAL 130 HG13 0.14 -0.02 -0.48 -0.04 0.97 0.56 2dv6A1 VAL 130 HG23 0.23 -0.02 -0.18 -0.04 0.95 0.94 2dv6A1 LEU 131 H -0.12 0.85 0.33 -0.55 8.37 8.88 2dv6A1 LEU 131 HA 0.00 0.09 0.79 -0.75 4.35 4.48 2dv6A1 LEU 131 HB2 -0.54 0.04 0.06 -0.04 1.64 1.16 2dv6A1 LEU 131 HB3 -0.05 0.07 0.09 -0.04 1.64 1.71 2dv6A1 LEU 131 HG -0.13 0.01 -0.10 -0.04 1.64 1.38 2dv6A1 LEU 131 HD13 -0.15 -0.01 -0.06 -0.04 0.93 0.67 2dv6A1 LEU 131 HD23 -0.01 -0.01 -0.05 -0.04 0.89 0.77 2dv6A1 PRO 132 HA 0.10 0.08 0.71 -0.51 4.44 4.81 2dv6A1 PRO 132 HB2 0.07 0.03 0.06 -0.04 2.28 2.39 2dv6A1 PRO 132 HB3 0.06 0.00 0.13 -0.04 2.02 2.18 2dv6A1 PRO 132 HG2 0.07 0.04 0.02 -0.04 2.03 2.12 2dv6A1 PRO 132 HG3 0.05 0.03 0.07 -0.04 2.03 2.14 2dv6A1 PRO 132 HD2 0.04 0.08 0.24 -0.04 3.68 4.00 2dv6A1 PRO 132 HD3 0.05 0.11 0.20 -0.04 3.65 3.97 2dv6A1 GLY 133 H 0.09 0.09 0.16 -0.55 8.43 8.23 2dv6A1 GLY 133 HA2 0.06 -0.01 0.30 -0.51 4.01 3.85 2dv6A1 GLY 133 HA3 0.10 0.16 0.53 -0.51 4.01 4.30 2dv6A1 ASN 134 H -0.02 0.12 0.14 -0.55 8.53 8.23 2dv6A1 ASN 134 HA -0.10 0.19 0.93 -0.75 4.76 5.02 2dv6A1 ASN 134 HB2 -0.03 -0.06 0.07 -0.04 2.88 2.83 2dv6A1 ASN 134 HB3 -0.03 0.14 0.03 -0.04 2.79 2.90 2dv6A1 ASN 134 HD21 0.01 -0.00 -0.04 -0.04 7.03 6.95 2dv6A1 ASN 134 HD22 0.01 0.00 -0.01 -0.04 7.74 7.69 2dv6A1 ARG 135 H -0.20 0.13 0.08 -0.55 8.46 7.92 2dv6A1 ARG 135 HA -0.58 -0.02 0.46 -0.75 4.34 3.45 2dv6A1 ARG 135 HB2 0.05 -0.03 0.12 -0.04 1.90 2.01 2dv6A1 ARG 135 HB3 0.08 0.03 0.05 -0.04 1.80 1.92 2dv6A1 ARG 135 HG2 -0.06 0.18 -0.09 -0.04 1.67 1.65 2dv6A1 ARG 135 HG3 0.02 -0.08 0.05 -0.04 1.67 1.63 2dv6A1 ARG 135 HD2 0.18 -0.02 0.03 -0.04 3.22 3.37 2dv6A1 ARG 135 HD3 -0.13 0.00 0.00 -0.04 3.22 3.06 2dv6A1 ALA 136 H -0.05 0.02 0.14 -0.55 8.40 7.96 2dv6A1 ALA 136 HA -0.03 0.05 0.42 -0.75 4.34 4.02 2dv6A1 ALA 136 HB3 0.01 -0.01 0.11 -0.04 1.41 1.47 2dv6A1 GLU 137 H -0.01 0.04 0.14 -0.55 8.60 8.22 2dv6A1 GLU 137 HA -0.03 0.08 0.45 -0.75 4.29 4.04 2dv6A1 GLU 137 HB2 -0.01 -0.04 0.08 -0.04 2.09 2.08 2dv6A1 GLU 137 HB3 -0.01 0.07 0.12 -0.04 1.99 2.12 2dv6A1 GLU 137 HG2 0.00 -0.07 0.10 -0.04 2.34 2.33 2dv6A1 GLU 137 HG3 0.00 0.01 0.06 -0.04 2.34 2.38 2dv6A1 MET 138 H -0.05 0.09 0.15 -0.55 8.47 8.11 2dv6A1 MET 138 HA -0.04 0.02 0.54 -0.75 4.52 4.29 2dv6A1 MET 138 HB2 -0.04 0.03 0.01 -0.04 2.15 2.10 2dv6A1 MET 138 HB3 -0.04 -0.08 0.01 -0.04 2.03 1.88 2dv6A1 MET 138 HG2 -0.08 0.00 0.08 -0.04 2.63 2.59 2dv6A1 MET 138 HG3 -0.08 0.01 0.12 -0.04 2.56 2.58 2dv6A1 MET 138 HE3 -0.04 -0.01 -0.01 -0.04 2.10 1.99 2dv6A1 LYS 139 H -0.02 0.15 0.31 -0.55 8.42 8.31 2dv6A1 LYS 139 HA -0.01 0.19 0.62 -0.75 4.32 4.37 2dv6A1 LYS 139 HB2 -0.00 -0.00 0.10 -0.04 1.87 1.92 2dv6A1 LYS 139 HB3 -0.00 0.14 -0.14 -0.04 1.79 1.74 2dv6A1 LYS 139 HG2 -0.00 0.06 -0.02 -0.04 1.46 1.46 2dv6A1 LYS 139 HG3 -0.00 -0.09 -0.18 -0.04 1.46 1.14 2dv6A1 LYS 139 HD2 0.00 -0.01 -0.07 -0.04 1.69 1.58 2dv6A1 LYS 139 HD3 0.00 0.04 -0.05 -0.04 1.68 1.63 2dv6A1 LYS 139 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 2dv6A1 LYS 139 HE3 0.01 0.02 -0.02 -0.04 2.99 2.96 2dv6A1 SER 140 H -0.00 0.49 0.26 -0.55 8.46 8.66 2dv6A1 SER 140 HA 0.00 0.07 0.57 -0.75 4.49 4.37 2dv6A1 SER 140 HB2 0.00 -0.03 0.05 -0.04 3.95 3.93 2dv6A1 SER 140 HB3 -0.00 0.09 -0.15 -0.04 3.93 3.82 2dv6A1 SER 141 H 0.01 0.13 0.05 -0.55 8.46 8.11 2dv6A1 SER 141 HA 0.01 0.22 0.81 -0.75 4.49 4.77 2dv6A1 SER 141 HB2 0.01 0.03 0.16 -0.04 3.95 4.11 2dv6A1 SER 141 HB3 0.01 -0.00 0.08 -0.04 3.93 3.97 2dv6A1 GLY 142 H 0.01 -0.03 -0.52 -0.55 8.43 7.34 2dv6A1 GLY 142 HA2 0.02 0.19 0.51 -0.51 4.01 4.22 2dv6A1 GLY 142 HA3 0.03 -0.02 -0.20 -0.51 4.01 3.31 2dv6A1 ALA 143 H 0.01 0.66 0.34 -0.55 8.40 8.86 2dv6A1 ALA 143 HA -0.01 0.07 0.58 -0.75 4.34 4.24 2dv6A1 ALA 143 HB3 -0.01 0.02 0.06 -0.04 1.41 1.44 2dv6A1 ASP 144 H -0.01 0.14 0.16 -0.55 8.40 8.14 2dv6A1 ASP 144 HA -0.05 0.04 0.73 -0.75 4.63 4.60 2dv6A1 ASP 144 HB2 -0.00 0.01 0.15 -0.04 2.71 2.82 2dv6A1 ASP 144 HB3 0.01 0.01 0.22 -0.04 2.70 2.91 2dv6A1 ILE 145 H -0.15 0.17 0.17 -0.55 8.25 7.89 2dv6A1 ILE 145 HA -0.10 0.39 0.90 -0.75 4.18 4.62 2dv6A1 ILE 145 HB -0.33 -0.03 0.07 -0.04 1.89 1.57 2dv6A1 ILE 145 HG12 -1.79 -0.04 -0.06 -0.04 1.49 -0.43 2dv6A1 ILE 145 HG13 -0.51 -0.04 0.05 -0.04 1.21 0.66 2dv6A1 ILE 145 HG23 -0.17 0.03 -0.21 -0.04 0.93 0.54 2dv6A1 ILE 145 HD13 -0.40 0.05 -0.23 -0.04 0.88 0.25 2dv6A1 THR 146 H -0.00 -0.02 -0.14 -0.55 8.28 7.57 2dv6A1 THR 146 HA 0.01 0.26 0.53 -0.75 4.39 4.44 2dv6A1 THR 146 HB 0.33 0.16 0.04 -0.04 4.32 4.82 2dv6A1 THR 146 HG23 -0.02 -0.04 0.05 -0.04 1.22 1.17 2dv6A1 ARG 147 H 0.02 0.44 0.27 -0.55 8.46 8.63 2dv6A1 ARG 147 HA -0.03 0.05 0.70 -0.75 4.34 4.31 2dv6A1 ARG 147 HB2 -0.05 0.11 -0.26 -0.04 1.90 1.67 2dv6A1 ARG 147 HB3 -0.10 -0.09 0.17 -0.04 1.80 1.73 2dv6A1 ARG 147 HG2 -0.21 -0.06 -0.12 -0.04 1.67 1.23 2dv6A1 ARG 147 HG3 0.02 0.06 -0.08 -0.04 1.67 1.63 2dv6A1 ARG 147 HD2 0.04 0.39 -0.19 -0.04 3.22 3.42 2dv6A1 ARG 147 HD3 0.29 -0.01 -0.19 -0.04 3.22 3.26 2dv6A1 ASP 148 H -0.21 0.12 0.11 -0.55 8.40 7.88 2dv6A1 ASP 148 HA -1.02 0.17 0.55 -0.75 4.63 3.57 2dv6A1 ASP 148 HB2 -0.29 0.05 0.14 -0.04 2.71 2.58 2dv6A1 ASP 148 HB3 -0.10 -0.05 0.17 -0.04 2.70 2.68 2dv6A1 PRO 149 HA 0.11 0.32 0.65 -0.51 4.44 5.02 2dv6A1 PRO 149 HB2 0.23 -0.13 0.07 -0.04 2.28 2.40 2dv6A1 PRO 149 HB3 0.09 0.06 0.15 -0.04 2.02 2.28 2dv6A1 PRO 149 HG2 0.15 -0.02 0.00 -0.04 2.03 2.13 2dv6A1 PRO 149 HG3 0.07 0.04 0.01 -0.04 2.03 2.10 2dv6A1 PRO 149 HD2 -0.01 0.09 0.28 -0.04 3.68 4.00 2dv6A1 PRO 149 HD3 0.09 0.19 0.28 -0.04 3.65 4.17 2dv6A1 ALA 150 H 0.13 0.11 -0.26 -0.55 8.40 7.82 2dv6A1 ALA 150 HA 0.09 0.23 0.82 -0.75 4.34 4.73 2dv6A1 ALA 150 HB3 0.13 -0.01 0.11 -0.04 1.41 1.60 2dv6A1 ASP 151 H 0.08 0.40 -0.42 -0.55 8.40 7.91 2dv6A1 ASP 151 HA 0.03 0.07 0.57 -0.75 4.63 4.55 2dv6A1 ASP 151 HB2 0.02 -0.12 0.09 -0.04 2.71 2.66 2dv6A1 ASP 151 HB3 0.08 0.21 0.23 -0.04 2.70 3.19 2dv6A1 LEU 152 H -0.04 0.48 0.10 -0.55 8.37 8.37 2dv6A1 LEU 152 HA -0.06 0.08 0.55 -0.75 4.35 4.17 2dv6A1 LEU 152 HB2 -0.96 0.00 0.01 -0.04 1.64 0.66 2dv6A1 LEU 152 HB3 -0.32 0.00 -0.28 -0.04 1.64 1.01 2dv6A1 LEU 152 HG -0.34 0.16 -0.38 -0.04 1.64 1.04 2dv6A1 LEU 152 HD13 -0.74 -0.04 -0.25 -0.04 0.93 -0.14 2dv6A1 LEU 152 HD23 -0.10 0.03 -0.29 -0.04 0.89 0.50 2dv6A1 PRO 153 HA -0.05 -0.02 0.55 -0.51 4.44 4.41 2dv6A1 PRO 153 HB2 -0.02 0.06 -0.03 -0.04 2.28 2.25 2dv6A1 PRO 153 HB3 -0.02 -0.02 0.11 -0.04 2.02 2.05 2dv6A1 PRO 153 HG2 0.06 0.01 0.09 -0.04 2.03 2.14 2dv6A1 PRO 153 HG3 0.02 -0.02 0.09 -0.04 2.03 2.08 2dv6A1 PRO 153 HD2 0.05 0.06 0.11 -0.04 3.68 3.86 2dv6A1 PRO 153 HD3 0.03 0.12 0.20 -0.04 3.65 3.96 2dv6A1 GLY 154 H -0.05 0.01 0.14 -0.55 8.43 7.99 2dv6A1 GLY 154 HA2 -0.08 0.13 0.58 -0.51 4.01 4.13 2dv6A1 GLY 154 HA3 -0.05 0.00 0.34 -0.51 4.01 3.80 2dv6A1 PRO 155 HA 0.00 -0.03 0.32 -0.51 4.44 4.23 2dv6A1 PRO 155 HB2 -0.01 0.02 -0.02 -0.04 2.28 2.23 2dv6A1 PRO 155 HB3 0.00 0.06 0.07 -0.04 2.02 2.11 2dv6A1 PRO 155 HG2 -0.02 0.03 0.05 -0.04 2.03 2.05 2dv6A1 PRO 155 HG3 0.00 0.04 0.04 -0.04 2.03 2.08 2dv6A1 PRO 155 HD2 -0.03 0.07 0.16 -0.04 3.68 3.84 2dv6A1 PRO 155 HD3 -0.03 0.12 0.16 -0.04 3.65 3.86 2dv6A1 ILE 156 H -0.00 0.04 0.12 -0.55 8.25 7.85 2dv6A1 ILE 156 HA -0.01 0.08 0.60 -0.75 4.18 4.08 2dv6A1 ILE 156 HB -0.01 0.01 0.04 -0.04 1.89 1.90 2dv6A1 ILE 156 HG12 -0.02 0.02 -0.06 -0.04 1.49 1.39 2dv6A1 ILE 156 HG13 -0.01 0.03 -0.10 -0.04 1.21 1.09 2dv6A1 ILE 156 HG23 -0.02 -0.00 -0.08 -0.04 0.93 0.79 2dv6A1 ILE 156 HD13 -0.02 0.02 -0.37 -0.04 0.88 0.47 2dv6A1 GLY 157 H -0.01 0.03 0.10 -0.55 8.43 8.00 2dv6A1 GLY 157 HA2 -0.01 0.10 0.33 -0.51 4.01 3.92 2dv6A1 GLY 157 HA3 -0.01 -0.05 0.33 -0.51 4.01 3.77 2dv6A1 PRO 158 HA -0.01 0.34 0.69 -0.51 4.44 4.95 2dv6A1 PRO 158 HB2 -0.01 -0.02 0.19 -0.04 2.28 2.41 2dv6A1 PRO 158 HB3 -0.00 0.07 0.13 -0.04 2.02 2.18 2dv6A1 PRO 158 HG2 -0.01 -0.02 0.03 -0.04 2.03 1.99 2dv6A1 PRO 158 HG3 -0.01 0.02 0.05 -0.04 2.03 2.05 2dv6A1 PRO 158 HD2 -0.01 0.02 0.11 -0.04 3.68 3.75 2dv6A1 PRO 158 HD3 -0.01 0.13 0.06 -0.04 3.65 3.79 2dv6A1 ARG 159 H -0.01 0.06 -0.62 -0.55 8.46 7.34 2dv6A1 ARG 159 HA -0.01 -0.01 0.40 -0.75 4.34 3.96 2dv6A1 ARG 159 HB2 -0.02 -0.00 -0.20 -0.04 1.90 1.64 2dv6A1 ARG 159 HB3 -0.02 0.25 -0.02 -0.04 1.80 1.97 2dv6A1 ARG 159 HG2 -0.02 -0.01 0.00 -0.04 1.67 1.60 2dv6A1 ARG 159 HG3 -0.02 -0.12 -0.01 -0.04 1.67 1.48 2dv6A1 ARG 159 HD2 -0.03 -0.02 -0.03 -0.04 3.22 3.11 2dv6A1 ARG 159 HD3 -0.02 -0.05 -0.03 -0.04 3.22 3.07 2dv6A1 GLN 160 H -0.02 0.05 0.11 -0.55 8.47 8.07 2dv6A1 GLN 160 HA -0.01 0.12 0.66 -0.75 4.36 4.37 2dv6A1 GLN 160 HB2 -0.01 -0.05 0.12 -0.04 2.15 2.17 2dv6A1 GLN 160 HB3 -0.02 0.10 -0.03 -0.04 2.02 2.03 2dv6A1 GLN 160 HG2 -0.01 -0.03 0.03 -0.04 2.40 2.34 2dv6A1 GLN 160 HG3 -0.01 -0.02 0.07 -0.04 2.39 2.39 2dv6A1 GLN 160 HE21 -0.01 0.00 0.02 -0.04 6.97 6.94 2dv6A1 GLN 160 HE22 -0.01 -0.03 0.04 -0.04 7.69 7.65 2dv6A1 ALA 161 H -0.02 0.07 0.06 -0.55 8.40 7.96 2dv6A1 ALA 161 HA -0.03 0.04 0.24 -0.75 4.34 3.83 2dv6A1 ALA 161 HB3 -0.03 0.05 -0.11 -0.04 1.41 1.28 2dv6A1 LYS 162 H -0.05 0.18 0.18 -0.55 8.42 8.17 2dv6A1 LYS 162 HA -0.04 0.10 0.53 -0.75 4.32 4.15 2dv6A1 LYS 162 HB2 -0.04 -0.04 0.12 -0.04 1.87 1.87 2dv6A1 LYS 162 HB3 -0.04 0.12 -0.05 -0.04 1.79 1.79 2dv6A1 LYS 162 HG2 -0.04 0.12 -0.14 -0.04 1.46 1.36 2dv6A1 LYS 162 HG3 -0.05 -0.11 -0.07 -0.04 1.46 1.18 2dv6A1 LYS 162 HD2 -0.05 -0.04 -0.14 -0.04 1.69 1.42 2dv6A1 LYS 162 HD3 -0.05 0.14 -0.30 -0.04 1.68 1.42 2dv6A1 LYS 162 HE2 -0.03 -0.01 -0.02 -0.04 2.99 2.88 2dv6A1 LYS 162 HE3 -0.03 -0.02 -0.03 -0.04 2.99 2.86 2dv6A1 THR 163 H -0.06 0.16 0.16 -0.55 8.28 7.99 2dv6A1 THR 163 HA -0.10 0.26 1.04 -0.75 4.39 4.84 2dv6A1 THR 163 HB -0.06 -0.03 0.14 -0.04 4.32 4.34 2dv6A1 THR 163 HG23 -0.08 -0.00 -0.23 -0.04 1.22 0.86 2dv6A1 VAL 164 H -0.14 0.80 0.41 -0.55 8.24 8.76 2dv6A1 VAL 164 HA -0.08 0.12 0.83 -0.75 4.13 4.26 2dv6A1 VAL 164 HB -0.15 -0.03 0.10 -0.04 2.12 2.00 2dv6A1 VAL 164 HG13 -0.09 0.02 -0.15 -0.04 0.97 0.70 2dv6A1 VAL 164 HG23 -0.08 0.01 -0.14 -0.04 0.95 0.70 2dv6A1 ARG 165 H -0.06 0.17 0.17 -0.55 8.46 8.19 2dv6A1 ARG 165 HA -0.03 0.20 0.84 -0.75 4.34 4.60 2dv6A1 ARG 165 HB2 -0.04 -0.03 0.11 -0.04 1.90 1.89 2dv6A1 ARG 165 HB3 -0.05 -0.02 0.09 -0.04 1.80 1.78 2dv6A1 ARG 165 HG2 0.08 0.19 0.04 -0.04 1.67 1.94 2dv6A1 ARG 165 HG3 -0.03 -0.05 -0.02 -0.04 1.67 1.53 2dv6A1 ARG 165 HD2 -0.13 -0.03 -0.09 -0.04 3.22 2.94 2dv6A1 ARG 165 HD3 -0.18 0.01 -0.20 -0.04 3.22 2.81 2dv6A1 ILE 166 H -0.03 0.66 0.31 -0.55 8.25 8.65 2dv6A1 ILE 166 HA -0.03 0.17 0.91 -0.75 4.18 4.48 2dv6A1 ILE 166 HB -0.09 -0.06 -0.04 -0.04 1.89 1.66 2dv6A1 ILE 166 HG12 -0.08 0.07 -0.09 -0.04 1.49 1.36 2dv6A1 ILE 166 HG13 -0.12 -0.06 -0.55 -0.04 1.21 0.45 2dv6A1 ILE 166 HG23 -0.04 -0.00 -0.25 -0.04 0.93 0.60 2dv6A1 ILE 166 HD13 -0.20 -0.01 -0.17 -0.04 0.88 0.46 2dv6A1 ASP 167 H 0.01 0.22 0.13 -0.55 8.40 8.21 2dv6A1 ASP 167 HA 0.08 0.30 1.04 -0.75 4.63 5.29 2dv6A1 ASP 167 HB2 0.01 -0.01 0.12 -0.04 2.71 2.79 2dv6A1 ASP 167 HB3 0.04 0.01 -0.04 -0.04 2.70 2.67 2dv6A1 LEU 168 H 0.10 0.74 0.34 -0.55 8.37 9.00 2dv6A1 LEU 168 HA 0.11 0.13 0.70 -0.75 4.35 4.54 2dv6A1 LEU 168 HB2 0.12 -0.03 -0.03 -0.04 1.64 1.65 2dv6A1 LEU 168 HB3 0.23 0.00 -0.06 -0.04 1.64 1.77 2dv6A1 LEU 168 HG 0.00 -0.05 -0.44 -0.04 1.64 1.12 2dv6A1 LEU 168 HD13 -0.32 -0.01 -0.21 -0.04 0.93 0.35 2dv6A1 LEU 168 HD23 0.00 0.05 -0.01 -0.04 0.89 0.89 2dv6A1 GLU 169 H 0.16 0.20 0.20 -0.55 8.60 8.61 2dv6A1 GLU 169 HA 0.11 0.37 1.00 -0.75 4.29 5.02 2dv6A1 GLU 169 HB2 0.09 0.02 -0.02 -0.04 2.09 2.14 2dv6A1 GLU 169 HB3 0.10 -0.09 0.09 -0.04 1.99 2.05 2dv6A1 GLU 169 HG2 0.10 0.03 -0.16 -0.04 2.34 2.28 2dv6A1 GLU 169 HG3 0.09 0.03 -0.01 -0.04 2.34 2.41 2dv6A1 THR 170 H 0.08 0.66 0.37 -0.55 8.28 8.84 2dv6A1 THR 170 HA -0.13 0.37 1.13 -0.75 4.39 5.00 2dv6A1 THR 170 HB -0.53 0.01 0.03 -0.04 4.32 3.79 2dv6A1 THR 170 HG23 -0.03 -0.00 -0.17 -0.04 1.22 0.98 2dv6A1 VAL 171 H -0.13 0.59 0.28 -0.55 8.24 8.43 2dv6A1 VAL 171 HA -0.08 0.09 0.92 -0.75 4.13 4.30 2dv6A1 VAL 171 HB -0.11 -0.01 0.03 -0.04 2.12 1.99 2dv6A1 VAL 171 HG13 0.01 -0.03 -0.24 -0.04 0.97 0.67 2dv6A1 VAL 171 HG23 -0.07 0.04 -0.28 -0.04 0.95 0.60 2dv6A1 GLU 172 H -0.10 0.12 0.11 -0.55 8.60 8.19 2dv6A1 GLU 172 HA 0.17 0.39 0.98 -0.75 4.29 5.07 2dv6A1 GLU 172 HB2 -0.05 -0.02 0.13 -0.04 2.09 2.11 2dv6A1 GLU 172 HB3 0.12 0.06 0.04 -0.04 1.99 2.17 2dv6A1 GLU 172 HG2 -0.88 0.08 -0.03 -0.04 2.34 1.48 2dv6A1 GLU 172 HG3 -0.24 -0.07 -0.07 -0.04 2.34 1.92 2dv6A1 VAL 173 H 0.17 0.76 0.27 -0.55 8.24 8.89 2dv6A1 VAL 173 HA 0.02 0.09 0.90 -0.75 4.13 4.39 2dv6A1 VAL 173 HB -0.01 -0.02 -0.38 -0.04 2.12 1.67 2dv6A1 VAL 173 HG13 0.04 0.03 -0.17 -0.04 0.97 0.83 2dv6A1 VAL 173 HG23 0.00 0.03 -0.14 -0.04 0.95 0.80 2dv6A1 LYS 174 H 0.03 0.14 0.16 -0.55 8.42 8.20 2dv6A1 LYS 174 HA 0.07 0.13 0.80 -0.75 4.32 4.56 2dv6A1 LYS 174 HB2 0.02 -0.01 0.12 -0.04 1.87 1.96 2dv6A1 LYS 174 HB3 0.02 0.01 0.22 -0.04 1.79 2.00 2dv6A1 LYS 174 HG2 0.04 -0.02 -0.28 -0.04 1.46 1.16 2dv6A1 LYS 174 HG3 0.03 -0.03 -0.08 -0.04 1.46 1.33 2dv6A1 LYS 174 HD2 0.01 -0.01 -0.02 -0.04 1.69 1.63 2dv6A1 LYS 174 HD3 0.02 0.12 -0.03 -0.04 1.68 1.74 2dv6A1 LYS 174 HE2 0.02 -0.07 -0.33 -0.04 2.99 2.57 2dv6A1 LYS 174 HE3 0.01 -0.04 -0.13 -0.04 2.99 2.80 2dv6A1 GLY 175 H 0.26 0.71 0.51 -0.55 8.43 9.37 2dv6A1 GLY 175 HA2 0.01 0.16 0.89 -0.51 4.01 4.55 2dv6A1 GLY 175 HA3 -0.01 0.11 0.27 -0.51 4.01 3.86 2dv6A1 GLN 176 H -0.04 0.77 0.14 -0.55 8.47 8.80 2dv6A1 GLN 176 HA 0.04 0.04 0.75 -0.75 4.36 4.44 2dv6A1 GLN 176 HB2 -0.01 0.02 -0.12 -0.04 2.15 2.00 2dv6A1 GLN 176 HB3 -0.03 -0.01 0.04 -0.04 2.02 1.98 2dv6A1 GLN 176 HG2 -0.01 -0.01 -0.44 -0.04 2.40 1.89 2dv6A1 GLN 176 HG3 -0.00 0.09 -0.05 -0.04 2.39 2.39 2dv6A1 GLN 176 HE21 -0.01 0.03 -0.22 -0.04 6.97 6.73 2dv6A1 GLN 176 HE22 -0.01 -0.06 -0.19 -0.04 7.69 7.39 2dv6A1 LEU 177 H 0.04 0.67 0.43 -0.55 8.37 8.97 2dv6A1 LEU 177 HA 0.09 0.21 0.74 -0.75 4.35 4.65 2dv6A1 LEU 177 HB2 -0.01 0.00 -0.17 -0.04 1.64 1.42 2dv6A1 LEU 177 HB3 -0.09 0.00 -0.25 -0.04 1.64 1.25 2dv6A1 LEU 177 HG -0.59 -0.02 -0.26 -0.04 1.64 0.73 2dv6A1 LEU 177 HD13 -0.46 -0.01 0.01 -0.04 0.93 0.43 2dv6A1 LEU 177 HD23 -0.83 -0.01 -0.17 -0.04 0.89 -0.16 2dv6A1 ASP 178 H -0.02 0.52 0.29 -0.55 8.40 8.64 2dv6A1 ASP 178 HA -0.01 0.13 0.50 -0.75 4.63 4.50 2dv6A1 ASP 178 HB2 0.02 0.06 -0.28 -0.04 2.71 2.47 2dv6A1 ASP 178 HB3 -0.03 0.05 -0.13 -0.04 2.70 2.54 2dv6A1 ASP 179 H -0.04 0.15 0.14 -0.55 8.40 8.10 2dv6A1 ASP 179 HA -0.03 0.02 0.57 -0.75 4.63 4.43 2dv6A1 ASP 179 HB2 -0.05 0.02 0.21 -0.04 2.71 2.84 2dv6A1 ASP 179 HB3 -0.05 0.00 0.17 -0.04 2.70 2.78 2dv6A1 ASN 180 H -0.01 0.78 0.52 -0.55 8.53 9.28 2dv6A1 ASN 180 HA -0.00 -0.06 0.50 -0.75 4.76 4.44 2dv6A1 ASN 180 HB2 -0.01 -0.00 -0.07 -0.04 2.88 2.76 2dv6A1 ASN 180 HB3 -0.01 0.14 -0.04 -0.04 2.79 2.84 2dv6A1 ASN 180 HD21 0.01 -0.00 0.04 -0.04 7.03 7.03 2dv6A1 ASN 180 HD22 0.00 0.03 0.01 -0.04 7.74 7.74 2dv6A1 THR 181 H -0.01 0.52 -0.20 -0.55 8.28 8.03 2dv6A1 THR 181 HA -0.00 0.18 0.86 -0.75 4.39 4.68 2dv6A1 THR 181 HB -0.01 0.01 0.19 -0.04 4.32 4.46 2dv6A1 THR 181 HG23 -0.04 -0.02 -0.42 -0.04 1.22 0.71 2dv6A1 THR 182 H 0.01 0.64 0.39 -0.55 8.28 8.78 2dv6A1 THR 182 HA 0.08 0.27 1.20 -0.75 4.39 5.18 2dv6A1 THR 182 HB 0.05 0.06 0.01 -0.04 4.32 4.40 2dv6A1 THR 182 HG23 0.02 -0.02 -0.32 -0.04 1.22 0.86 2dv6A1 TYR 183 H 0.16 0.57 0.38 -0.55 8.29 8.85 2dv6A1 TYR 183 HA -0.11 0.20 0.78 -0.75 4.56 4.68 2dv6A1 TYR 183 HB2 -0.23 0.01 -0.35 -0.04 3.06 2.45 2dv6A1 TYR 183 HB3 -0.34 0.06 -0.14 -0.04 2.98 2.51 2dv6A1 TYR 183 HD2 -0.74 -0.01 -0.31 -0.04 7.15 6.06 2dv6A1 TYR 183 HE2 -0.34 -0.01 -0.23 -0.04 6.85 6.22 2dv6A1 THR 184 H -0.68 0.18 0.16 -0.55 8.28 7.40 2dv6A1 THR 184 HA -0.04 0.13 0.92 -0.75 4.39 4.65 2dv6A1 THR 184 HB -0.36 -0.04 0.19 -0.04 4.32 4.07 2dv6A1 THR 184 HG23 0.16 0.01 -0.19 -0.04 1.22 1.16 2dv6A1 TYR 185 H 0.28 0.55 0.38 -0.55 8.29 8.94 2dv6A1 TYR 185 HA -0.03 0.23 0.84 -0.75 4.56 4.85 2dv6A1 TYR 185 HB2 0.04 -0.04 0.09 -0.04 3.06 3.11 2dv6A1 TYR 185 HB3 0.03 0.13 0.00 -0.04 2.98 3.10 2dv6A1 TYR 185 HD2 0.04 0.05 0.03 -0.04 7.15 7.22 2dv6A1 TYR 185 HE2 0.00 -0.00 -0.21 -0.04 6.85 6.60 2dv6A1 TRP 186 H 0.14 0.74 0.19 -0.55 7.97 8.49 2dv6A1 TRP 186 HA -0.09 0.12 0.89 -0.75 4.62 4.78 2dv6A1 TRP 186 HB2 -0.06 0.02 0.01 -0.04 3.23 3.17 2dv6A1 TRP 186 HB3 -0.18 -0.05 -0.07 -0.04 3.23 2.90 2dv6A1 TRP 186 HD1 -0.05 0.28 -0.46 -0.04 7.22 6.95 2dv6A1 TRP 186 HE1 -0.08 -0.05 -0.11 -0.04 10.20 9.93 2dv6A1 TRP 186 HE3 -0.28 -0.00 -0.02 -0.04 7.59 7.25 2dv6A1 TRP 186 HZ2 -0.10 -0.03 -0.04 -0.04 7.44 7.23 2dv6A1 TRP 186 HZ3 -1.20 -0.01 -0.14 -0.04 7.13 5.74 2dv6A1 TRP 186 HH2 -0.18 -0.04 -0.06 -0.04 7.19 6.87 2dv6A1 THR 187 H -0.08 0.39 0.18 -0.55 8.28 8.22 2dv6A1 THR 187 HA -0.08 0.31 0.83 -0.75 4.39 4.70 2dv6A1 THR 187 HB 0.01 0.28 -0.20 -0.04 4.32 4.36 2dv6A1 THR 187 HG23 0.04 0.04 -0.50 -0.04 1.22 0.75 2dv6A1 PHE 188 H 0.06 0.32 0.17 -0.55 8.34 8.34 2dv6A1 PHE 188 HA 0.05 0.23 0.96 -0.75 4.62 5.11 2dv6A1 PHE 188 HB2 0.14 0.03 0.24 -0.04 3.15 3.51 2dv6A1 PHE 188 HB3 0.15 0.01 0.06 -0.04 3.06 3.24 2dv6A1 PHE 188 HD2 0.09 0.03 -0.09 -0.04 7.28 7.27 2dv6A1 PHE 188 HE2 0.10 0.03 -0.30 -0.04 7.38 7.17 2dv6A1 PHE 188 HZ 0.10 0.04 -0.20 -0.04 7.32 7.22 2dv6A1 ASN 189 H 0.14 0.77 0.28 -0.55 8.53 9.17 2dv6A1 ASN 189 HA 0.09 -0.04 0.33 -0.75 4.76 4.38 2dv6A1 ASN 189 HB2 0.15 0.17 -0.23 -0.04 2.88 2.93 2dv6A1 ASN 189 HB3 0.09 0.03 0.23 -0.04 2.79 3.11 2dv6A1 ASN 189 HD21 0.08 0.08 0.03 -0.04 7.03 7.17 2dv6A1 ASN 189 HD22 0.09 0.05 0.03 -0.04 7.74 7.87 2dv6A1 GLY 190 H 0.04 0.01 -0.46 -0.55 8.43 7.47 2dv6A1 GLY 190 HA2 0.00 -0.05 0.15 -0.51 4.01 3.60 2dv6A1 GLY 190 HA3 0.01 0.06 0.17 -0.51 4.01 3.74 2dv6A1 LYS 191 H 0.04 0.31 -0.37 -0.55 8.42 7.85 2dv6A1 LYS 191 HA -0.05 0.17 0.74 -0.75 4.32 4.43 2dv6A1 LYS 191 HB2 0.04 0.01 -0.17 -0.04 1.87 1.71 2dv6A1 LYS 191 HB3 0.00 -0.01 -0.37 -0.04 1.79 1.37 2dv6A1 LYS 191 HG2 -0.00 0.03 -0.28 -0.04 1.46 1.17 2dv6A1 LYS 191 HG3 0.02 -0.09 -0.57 -0.04 1.46 0.78 2dv6A1 LYS 191 HD2 0.04 -0.05 -0.09 -0.04 1.69 1.55 2dv6A1 LYS 191 HD3 0.02 0.16 -0.07 -0.04 1.68 1.74 2dv6A1 LYS 191 HE2 0.03 -0.00 -0.03 -0.04 2.99 2.94 2dv6A1 LYS 191 HE3 0.02 -0.01 -0.08 -0.04 2.99 2.88 2dv6A1 VAL 192 H -0.06 0.52 0.19 -0.55 8.24 8.34 2dv6A1 VAL 192 HA -0.14 0.11 0.82 -0.75 4.13 4.16 2dv6A1 VAL 192 HB -0.08 -0.03 0.04 -0.04 2.12 2.01 2dv6A1 VAL 192 HG13 -0.24 -0.02 -0.08 -0.04 0.97 0.60 2dv6A1 VAL 192 HG23 -0.02 0.03 -0.15 -0.04 0.95 0.78 2dv6A1 PRO 193 HA -0.25 0.13 0.50 -0.51 4.44 4.31 2dv6A1 PRO 193 HB2 0.08 0.09 0.10 -0.04 2.28 2.52 2dv6A1 PRO 193 HB3 0.06 -0.13 0.04 -0.04 2.02 1.95 2dv6A1 PRO 193 HG2 -0.59 0.15 -0.03 -0.04 2.03 1.52 2dv6A1 PRO 193 HG3 -0.71 -0.08 -0.04 -0.04 2.03 1.16 2dv6A1 PRO 193 HD2 -0.13 0.18 0.76 -0.04 3.68 4.45 2dv6A1 PRO 193 HD3 -0.01 -0.09 0.16 -0.04 3.65 3.66 2dv6A1 GLY 194 H 0.05 0.54 0.40 -0.55 8.43 8.87 2dv6A1 GLY 194 HA2 0.20 0.32 0.59 -0.51 4.01 4.61 2dv6A1 GLY 194 HA3 0.31 -0.12 0.36 -0.51 4.01 4.04 2dv6A1 PRO 195 HA 0.26 0.09 0.23 -0.51 4.44 4.52 2dv6A1 PRO 195 HB2 0.11 -0.01 -0.12 -0.04 2.28 2.22 2dv6A1 PRO 195 HB3 0.12 0.04 0.05 -0.04 2.02 2.19 2dv6A1 PRO 195 HG2 0.12 0.00 0.04 -0.04 2.03 2.14 2dv6A1 PRO 195 HG3 0.14 0.06 0.04 -0.04 2.03 2.23 2dv6A1 PRO 195 HD2 0.26 -0.01 0.08 -0.04 3.68 3.97 2dv6A1 PRO 195 HD3 0.25 0.26 0.12 -0.04 3.65 4.23 2dv6A1 PHE 196 H 0.23 0.20 0.19 -0.55 8.34 8.40 2dv6A1 PHE 196 HA -0.29 0.14 0.77 -0.75 4.62 4.48 2dv6A1 PHE 196 HB2 -1.25 0.05 0.15 -0.04 3.15 2.06 2dv6A1 PHE 196 HB3 -0.31 -0.04 0.24 -0.04 3.06 2.91 2dv6A1 PHE 196 HD2 -0.95 -0.04 -0.26 -0.04 7.28 5.99 2dv6A1 PHE 196 HE2 -0.52 -0.05 -0.12 -0.04 7.38 6.65 2dv6A1 PHE 196 HZ -1.60 -0.06 -0.10 -0.04 7.32 5.51 2dv6A1 LEU 197 H -0.28 0.67 0.40 -0.55 8.37 8.61 2dv6A1 LEU 197 HA -0.04 0.11 0.76 -0.75 4.35 4.43 2dv6A1 LEU 197 HB2 -0.13 -0.09 0.06 -0.04 1.64 1.43 2dv6A1 LEU 197 HB3 -0.13 -0.04 -0.04 -0.04 1.64 1.39 2dv6A1 LEU 197 HG 0.01 0.26 -0.11 -0.04 1.64 1.75 2dv6A1 LEU 197 HD13 -0.27 -0.04 -0.18 -0.04 0.93 0.41 2dv6A1 LEU 197 HD23 -0.03 0.00 -0.22 -0.04 0.89 0.61 2dv6A1 ARG 198 H -0.04 0.22 0.10 -0.55 8.46 8.19 2dv6A1 ARG 198 HA -0.06 0.23 1.00 -0.75 4.34 4.75 2dv6A1 ARG 198 HB2 0.22 0.04 -0.28 -0.04 1.90 1.84 2dv6A1 ARG 198 HB3 0.03 -0.02 0.06 -0.04 1.80 1.83 2dv6A1 ARG 198 HG2 0.01 -0.05 -0.17 -0.04 1.67 1.41 2dv6A1 ARG 198 HG3 0.05 -0.03 -0.00 -0.04 1.67 1.65 2dv6A1 ARG 198 HD2 -0.00 0.07 -0.20 -0.04 3.22 3.05 2dv6A1 ARG 198 HD3 -0.01 0.21 -0.32 -0.04 3.22 3.06 2dv6A1 VAL 199 H -0.05 0.78 0.35 -0.55 8.24 8.78 2dv6A1 VAL 199 HA -0.05 0.16 0.76 -0.75 4.13 4.24 2dv6A1 VAL 199 HB -0.09 -0.08 0.10 -0.04 2.12 2.01 2dv6A1 VAL 199 HG13 -0.13 -0.01 -0.27 -0.04 0.97 0.52 2dv6A1 VAL 199 HG23 -0.07 0.02 -0.26 -0.04 0.95 0.60 2dv6A1 ARG 200 H -0.04 0.16 0.14 -0.55 8.46 8.16 2dv6A1 ARG 200 HA -0.01 0.15 0.72 -0.75 4.34 4.45 2dv6A1 ARG 200 HB2 -0.02 -0.02 -0.11 -0.04 1.90 1.71 2dv6A1 ARG 200 HB3 -0.03 -0.09 -0.03 -0.04 1.80 1.62 2dv6A1 ARG 200 HG2 -0.01 0.04 -0.11 -0.04 1.67 1.56 2dv6A1 ARG 200 HG3 -0.01 0.09 -0.12 -0.04 1.67 1.59 2dv6A1 ARG 200 HD2 -0.02 -0.08 -0.31 -0.04 3.22 2.76 2dv6A1 ARG 200 HD3 -0.02 0.10 -0.19 -0.04 3.22 3.07 2dv6A1 VAL 201 H 0.01 0.66 0.07 -0.55 8.24 8.43 2dv6A1 VAL 201 HA 0.01 0.05 0.30 -0.75 4.13 3.74 2dv6A1 VAL 201 HB 0.01 -0.01 -0.20 -0.04 2.12 1.88 2dv6A1 VAL 201 HG13 0.03 0.00 -0.21 -0.04 0.97 0.75 2dv6A1 VAL 201 HG23 0.01 0.10 0.09 -0.04 0.95 1.11 2dv6A1 GLY 202 H -0.01 0.71 0.31 -0.55 8.43 8.90 2dv6A1 GLY 202 HA2 -0.02 -0.03 0.36 -0.51 4.01 3.81 2dv6A1 GLY 202 HA3 -0.02 0.08 0.65 -0.51 4.01 4.22 2dv6A1 ASP 203 H -0.04 0.51 -0.21 -0.55 8.40 8.11 2dv6A1 ASP 203 HA -0.07 0.02 0.56 -0.75 4.63 4.39 2dv6A1 ASP 203 HB2 -0.09 0.06 0.12 -0.04 2.71 2.76 2dv6A1 ASP 203 HB3 -0.12 0.03 0.02 -0.04 2.70 2.58 2dv6A1 THR 204 H -0.12 0.61 0.39 -0.55 8.28 8.62 2dv6A1 THR 204 HA -0.20 0.18 0.94 -0.75 4.39 4.56 2dv6A1 THR 204 HB -0.11 -0.07 0.09 -0.04 4.32 4.19 2dv6A1 THR 204 HG23 -0.15 -0.01 -0.21 -0.04 1.22 0.80 2dv6A1 VAL 205 H -0.58 0.76 0.32 -0.55 8.24 8.19 2dv6A1 VAL 205 HA -0.35 0.25 0.99 -0.75 4.13 4.26 2dv6A1 VAL 205 HB -1.91 -0.02 0.06 -0.04 2.12 0.22 2dv6A1 VAL 205 HG13 -0.53 -0.00 -0.27 -0.04 0.97 0.13 2dv6A1 VAL 205 HG23 -0.46 0.00 -0.19 -0.04 0.95 0.26 2dv6A1 GLU 206 H -0.20 0.82 0.33 -0.55 8.60 9.00 2dv6A1 GLU 206 HA -0.19 0.20 1.08 -0.75 4.29 4.62 2dv6A1 GLU 206 HB2 -0.10 -0.03 -0.08 -0.04 2.09 1.84 2dv6A1 GLU 206 HB3 -0.03 -0.04 0.10 -0.04 1.99 1.99 2dv6A1 GLU 206 HG2 -0.03 0.03 -0.27 -0.04 2.34 2.03 2dv6A1 GLU 206 HG3 -0.10 0.00 -0.09 -0.04 2.34 2.11 2dv6A1 LEU 207 H -0.13 0.76 0.28 -0.55 8.37 8.73 2dv6A1 LEU 207 HA 0.01 0.22 0.82 -0.75 4.35 4.64 2dv6A1 LEU 207 HB2 0.03 -0.04 -0.09 -0.04 1.64 1.51 2dv6A1 LEU 207 HB3 0.09 -0.00 0.09 -0.04 1.64 1.78 2dv6A1 LEU 207 HG 0.09 0.07 -0.46 -0.04 1.64 1.31 2dv6A1 LEU 207 HD13 0.16 -0.01 -0.24 -0.04 0.93 0.79 2dv6A1 LEU 207 HD23 0.21 -0.02 -0.24 -0.04 0.89 0.80 2dv6A1 HIS 208 H 0.19 0.89 0.44 -0.55 8.41 9.39 2dv6A1 HIS 208 HA 0.03 0.25 1.12 -0.75 4.63 5.27 2dv6A1 HIS 208 HB2 0.01 -0.04 0.21 -0.04 3.26 3.40 2dv6A1 HIS 208 HB3 0.02 -0.01 0.02 -0.04 3.20 3.18 2dv6A1 HIS 208 HD2 -0.03 0.14 -0.23 -0.04 6.97 6.80 2dv6A1 HIS 208 HE1 -0.01 -0.02 -0.08 -0.04 7.75 7.59 2dv6A1 LEU 209 H 0.07 0.66 0.22 -0.55 8.37 8.77 2dv6A1 LEU 209 HA 0.12 0.25 0.98 -0.75 4.35 4.95 2dv6A1 LEU 209 HB2 0.11 -0.05 -0.12 -0.04 1.64 1.55 2dv6A1 LEU 209 HB3 0.10 -0.00 0.08 -0.04 1.64 1.78 2dv6A1 LEU 209 HG 0.19 -0.02 -0.22 -0.04 1.64 1.56 2dv6A1 LEU 209 HD13 0.17 0.03 -0.28 -0.04 0.93 0.81 2dv6A1 LEU 209 HD23 0.13 0.01 -0.53 -0.04 0.89 0.45 2dv6A1 LYS 210 H 0.11 0.70 0.40 -0.55 8.42 9.07 2dv6A1 LYS 210 HA 0.06 0.32 1.10 -0.75 4.32 5.04 2dv6A1 LYS 210 HB2 0.07 -0.06 0.15 -0.04 1.87 1.99 2dv6A1 LYS 210 HB3 0.04 0.02 -0.06 -0.04 1.79 1.74 2dv6A1 LYS 210 HG2 0.06 0.03 -0.13 -0.04 1.46 1.38 2dv6A1 LYS 210 HG3 0.08 0.01 -0.15 -0.04 1.46 1.35 2dv6A1 LYS 210 HD2 0.03 -0.03 -0.07 -0.04 1.69 1.58 2dv6A1 LYS 210 HD3 0.02 0.02 -0.09 -0.04 1.68 1.58 2dv6A1 LYS 210 HE2 0.01 -0.02 -0.07 -0.04 2.99 2.88 2dv6A1 LYS 210 HE3 0.04 0.01 -0.10 -0.04 2.99 2.90 2dv6A1 ASN 211 H 0.05 0.70 0.22 -0.55 8.53 8.95 2dv6A1 ASN 211 HA 0.08 0.03 1.00 -0.75 4.76 5.12 2dv6A1 ASN 211 HB2 0.08 -0.01 -0.10 -0.04 2.88 2.81 2dv6A1 ASN 211 HB3 0.05 0.19 -0.11 -0.04 2.79 2.88 2dv6A1 ASN 211 HD21 0.01 0.40 0.12 -0.04 7.03 7.52 2dv6A1 ASN 211 HD22 0.02 0.35 -0.16 -0.04 7.74 7.90 2dv6A1 HIS 212 H 0.13 0.50 0.26 -0.55 8.41 8.76 2dv6A1 HIS 212 HA 0.01 0.04 0.39 -0.75 4.63 4.31 2dv6A1 HIS 212 HB2 0.00 0.08 0.15 -0.04 3.26 3.46 2dv6A1 HIS 212 HB3 -0.01 -0.03 0.20 -0.04 3.20 3.31 2dv6A1 HIS 212 HD2 0.01 0.05 0.01 -0.04 6.97 7.00 2dv6A1 HIS 212 HE1 0.00 0.06 0.02 -0.04 7.75 7.79 2dv6A1 LYS 213 H -0.54 0.15 0.23 -0.55 8.42 7.69 2dv6A1 LYS 213 HA -0.02 0.11 0.34 -0.75 4.32 3.99 2dv6A1 LYS 213 HB2 -0.05 0.07 0.09 -0.04 1.87 1.94 2dv6A1 LYS 213 HB3 -0.12 0.03 0.18 -0.04 1.79 1.84 2dv6A1 LYS 213 HG2 -0.35 -0.06 0.11 -0.04 1.46 1.12 2dv6A1 LYS 213 HG3 -0.03 0.03 -0.13 -0.04 1.46 1.29 2dv6A1 LYS 213 HD2 -0.03 0.02 -0.02 -0.04 1.69 1.62 2dv6A1 LYS 213 HD3 -0.08 0.03 0.04 -0.04 1.68 1.64 2dv6A1 LYS 213 HE2 -0.08 -0.01 0.02 -0.04 2.99 2.88 2dv6A1 LYS 213 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2dv6A1 ASP 214 H 0.69 -0.01 -0.20 -0.55 8.40 8.34 2dv6A1 ASP 214 HA 0.07 0.20 0.67 -0.75 4.63 4.82 2dv6A1 ASP 214 HB2 0.09 -0.02 0.04 -0.04 2.71 2.78 2dv6A1 ASP 214 HB3 0.05 0.02 0.13 -0.04 2.70 2.85 2dv6A1 SER 215 H 0.10 0.34 -0.35 -0.55 8.46 8.01 2dv6A1 SER 215 HA -0.04 -0.05 0.50 -0.75 4.49 4.14 2dv6A1 SER 215 HB2 0.04 0.17 0.08 -0.04 3.95 4.20 2dv6A1 SER 215 HB3 -0.00 0.00 0.04 -0.04 3.93 3.92 2dv6A1 LEU 216 H -0.12 0.06 0.19 -0.55 8.37 7.96 2dv6A1 LEU 216 HA -0.06 0.18 0.73 -0.75 4.35 4.44 2dv6A1 LEU 216 HB2 -0.12 -0.04 0.06 -0.04 1.64 1.50 2dv6A1 LEU 216 HB3 -0.06 -0.02 0.05 -0.04 1.64 1.56 2dv6A1 LEU 216 HG -0.03 0.01 0.07 -0.04 1.64 1.65 2dv6A1 LEU 216 HD13 0.02 -0.01 0.01 -0.04 0.93 0.90 2dv6A1 LEU 216 HD23 -0.02 0.02 -0.02 -0.04 0.89 0.83 2dv6A1 MET 217 H -0.29 0.01 -0.06 -0.55 8.47 7.58 2dv6A1 MET 217 HA -0.23 0.14 0.57 -0.75 4.52 4.24 2dv6A1 MET 217 HB2 -1.09 -0.02 -0.10 -0.04 2.15 0.90 2dv6A1 MET 217 HB3 -0.47 0.13 0.01 -0.04 2.03 1.66 2dv6A1 MET 217 HG2 -0.69 -0.13 -0.05 -0.04 2.63 1.72 2dv6A1 MET 217 HG3 -1.32 0.02 -0.05 -0.04 2.56 1.16 2dv6A1 MET 217 HE3 0.13 -0.01 -0.05 -0.04 2.10 2.13 2dv6A1 VAL 218 H -0.19 0.07 0.11 -0.55 8.24 7.69 2dv6A1 VAL 218 HA -0.16 0.31 0.94 -0.75 4.13 4.47 2dv6A1 VAL 218 HB -0.07 0.13 -0.19 -0.04 2.12 1.94 2dv6A1 VAL 218 HG13 -0.08 -0.01 -0.01 -0.04 0.97 0.84 2dv6A1 VAL 218 HG23 -0.08 -0.02 -0.22 -0.04 0.95 0.59 2dv6A1 HIS 219 H -0.02 0.54 0.26 -0.55 8.41 8.65 2dv6A1 HIS 219 HA -0.06 0.08 0.62 -0.75 4.63 4.52 2dv6A1 HIS 219 HB2 -0.02 0.02 -0.00 -0.04 3.26 3.21 2dv6A1 HIS 219 HB3 -0.03 -0.01 0.08 -0.04 3.20 3.20 2dv6A1 HIS 219 HD2 -0.14 0.06 -0.15 -0.04 6.97 6.70 2dv6A1 HIS 219 HE1 -1.01 -0.02 -0.10 -0.04 7.75 6.58 2dv6A1 SER 220 H 0.15 0.18 0.14 -0.55 8.46 8.38 2dv6A1 SER 220 HA 0.11 0.46 0.55 -0.75 4.49 4.86 2dv6A1 SER 220 HB2 0.04 -0.05 -0.10 -0.04 3.95 3.79 2dv6A1 SER 220 HB3 0.02 0.08 -0.40 -0.04 3.93 3.59 2dv6A1 VAL 221 H 0.04 0.31 -0.00 -0.55 8.24 8.03 2dv6A1 VAL 221 HA 0.06 0.20 0.43 -0.75 4.13 4.07 2dv6A1 VAL 221 HB -0.03 0.06 -0.32 -0.04 2.12 1.80 2dv6A1 VAL 221 HG13 -0.07 -0.00 -0.24 -0.04 0.97 0.62 2dv6A1 VAL 221 HG23 -1.07 -0.00 -0.35 -0.04 0.95 -0.51 2dv6A1 ASP 222 H -0.28 0.73 0.16 -0.55 8.40 8.47 2dv6A1 ASP 222 HA -0.15 0.16 0.57 -0.75 4.63 4.46 2dv6A1 ASP 222 HB2 -0.08 -0.05 -0.01 -0.04 2.71 2.53 2dv6A1 ASP 222 HB3 -0.48 0.05 0.05 -0.04 2.70 2.28 2dv6A1 PHE 223 H -0.09 0.72 0.18 -0.55 8.34 8.60 2dv6A1 PHE 223 HA -0.06 0.15 0.96 -0.75 4.62 4.92 2dv6A1 PHE 223 HB2 -0.47 0.01 0.06 -0.04 3.15 2.71 2dv6A1 PHE 223 HB3 -0.19 -0.08 -0.08 -0.04 3.06 2.67 2dv6A1 PHE 223 HD2 -0.35 0.09 -0.12 -0.04 7.28 6.86 2dv6A1 PHE 223 HE2 -0.43 0.03 -0.21 -0.04 7.38 6.72 2dv6A1 PHE 223 HZ -0.26 0.00 -0.23 -0.04 7.32 6.79 2dv6A1 HIS 224 H 0.13 0.72 0.23 -0.55 8.41 8.94 2dv6A1 HIS 224 HA -0.02 0.07 0.49 -0.75 4.63 4.42 2dv6A1 HIS 224 HB2 0.25 -0.05 0.14 -0.04 3.26 3.56 2dv6A1 HIS 224 HB3 0.21 0.00 0.12 -0.04 3.20 3.48 2dv6A1 HIS 224 HD2 0.02 -0.10 -0.23 -0.04 6.97 6.61 2dv6A1 HIS 224 HE1 0.13 0.04 0.17 -0.04 7.75 8.04 2dv6A1 GLY 225 H -0.12 0.02 -0.33 -0.55 8.43 7.45 2dv6A1 GLY 225 HA2 -1.51 0.19 0.65 -0.51 4.01 2.83 2dv6A1 GLY 225 HA3 -0.82 -0.01 0.16 -0.51 4.01 2.84 2dv6A1 ALA 226 H -0.22 0.37 -0.41 -0.55 8.40 7.59 2dv6A1 ALA 226 HA -0.27 0.15 0.74 -0.75 4.34 4.21 2dv6A1 ALA 226 HB3 -0.76 0.02 -0.09 -0.04 1.41 0.54 2dv6A1 THR 227 H -0.10 0.23 0.12 -0.55 8.28 7.99 2dv6A1 THR 227 HA -0.06 0.18 0.89 -0.75 4.39 4.64 2dv6A1 THR 227 HB -0.02 -0.01 0.18 -0.04 4.32 4.42 2dv6A1 THR 227 HG23 -0.01 -0.01 -0.08 -0.04 1.22 1.08 2dv6A1 GLY 228 H -0.02 0.18 0.11 -0.55 8.43 8.16 2dv6A1 GLY 228 HA2 0.03 0.04 0.35 -0.51 4.01 3.93 2dv6A1 GLY 228 HA3 0.03 0.24 0.72 -0.51 4.01 4.49 2dv6A1 PRO 229 HA 0.03 0.01 0.30 -0.51 4.44 4.27 2dv6A1 PRO 229 HB2 0.03 -0.02 0.09 -0.04 2.28 2.34 2dv6A1 PRO 229 HB3 -0.01 0.07 0.08 -0.04 2.02 2.12 2dv6A1 PRO 229 HG2 0.13 0.09 0.09 -0.04 2.03 2.29 2dv6A1 PRO 229 HG3 0.06 0.06 0.11 -0.04 2.03 2.22 2dv6A1 PRO 229 HD2 0.32 0.16 0.14 -0.04 3.68 4.26 2dv6A1 PRO 229 HD3 0.11 0.15 0.24 -0.04 3.65 4.10 2dv6A1 GLY 230 H 0.02 0.20 0.17 -0.55 8.43 8.27 2dv6A1 GLY 230 HA2 0.02 0.13 0.35 -0.51 4.01 4.00 2dv6A1 GLY 230 HA3 0.02 -0.05 0.46 -0.51 4.01 3.93 2dv6A1 GLY 231 H 0.00 0.46 -0.14 -0.55 8.43 8.21 2dv6A1 GLY 231 HA2 -0.07 0.16 0.15 -0.51 4.01 3.74 2dv6A1 GLY 231 HA3 -0.04 0.09 0.49 -0.51 4.01 4.04 2dv6A1 ALA 232 H 0.08 0.42 -0.42 -0.55 8.40 7.92 2dv6A1 ALA 232 HA 0.19 -0.00 0.18 -0.75 4.34 3.95 2dv6A1 ALA 232 HB3 0.02 0.03 0.07 -0.04 1.41 1.49 2dv6A1 ALA 233 H 0.03 0.40 -0.26 -0.55 8.40 8.02 2dv6A1 ALA 233 HA 0.04 0.06 0.32 -0.75 4.34 4.01 2dv6A1 ALA 233 HB3 0.01 -0.01 0.01 -0.04 1.41 1.38 2dv6A1 ALA 234 H 0.04 0.23 -0.24 -0.55 8.40 7.88 2dv6A1 ALA 234 HA -0.10 0.09 0.48 -0.75 4.34 4.06 2dv6A1 ALA 234 HB3 -0.25 0.00 -0.02 -0.04 1.41 1.10 2dv6A1 PHE 235 H 0.24 0.41 -0.56 -0.55 8.34 7.88 2dv6A1 PHE 235 HA 0.00 0.15 0.70 -0.75 4.62 4.71 2dv6A1 PHE 235 HB2 0.03 0.13 -0.02 -0.04 3.15 3.25 2dv6A1 PHE 235 HB3 0.02 0.03 0.09 -0.04 3.06 3.16 2dv6A1 PHE 235 HD2 0.00 0.00 -0.03 -0.04 7.28 7.22 2dv6A1 PHE 235 HE2 -0.00 -0.03 -0.00 -0.04 7.38 7.31 2dv6A1 PHE 235 HZ 0.00 -0.02 0.01 -0.04 7.32 7.27 2dv6A1 THR 236 H 0.09 0.24 -0.23 -0.55 8.28 7.83 2dv6A1 THR 236 HA 0.09 0.27 0.97 -0.75 4.39 4.97 2dv6A1 THR 236 HB 0.09 -0.07 0.09 -0.04 4.32 4.40 2dv6A1 THR 236 HG23 0.14 0.01 -0.28 -0.04 1.22 1.04 2dv6A1 GLN 237 H 0.02 0.15 -0.15 -0.55 8.47 7.94 2dv6A1 GLN 237 HA 0.00 0.03 0.45 -0.75 4.36 4.09 2dv6A1 GLN 237 HB2 -0.02 -0.00 0.09 -0.04 2.15 2.18 2dv6A1 GLN 237 HB3 -0.03 -0.03 -0.06 -0.04 2.02 1.87 2dv6A1 GLN 237 HG2 -0.02 0.13 0.03 -0.04 2.40 2.50 2dv6A1 GLN 237 HG3 -0.03 -0.04 -0.01 -0.04 2.39 2.26 2dv6A1 GLN 237 HE21 -0.02 -0.04 -0.38 -0.04 6.97 6.50 2dv6A1 GLN 237 HE22 -0.01 0.24 -0.10 -0.04 7.69 7.78 2dv6A1 THR 238 H 0.02 0.62 0.30 -0.55 8.28 8.67 2dv6A1 THR 238 HA 0.02 0.08 0.68 -0.75 4.39 4.42 2dv6A1 THR 238 HB 0.07 -0.07 0.03 -0.04 4.32 4.31 2dv6A1 THR 238 HG23 0.05 0.04 -0.29 -0.04 1.22 0.98 2dv6A1 ASP 239 H -0.00 0.12 0.08 -0.55 8.40 8.06 2dv6A1 ASP 239 HA -0.03 0.07 0.51 -0.75 4.63 4.43 2dv6A1 ASP 239 HB2 -0.01 -0.05 0.03 -0.04 2.71 2.64 2dv6A1 ASP 239 HB3 -0.02 0.13 0.00 -0.04 2.70 2.78 2dv6A1 PRO 240 HA 0.02 0.08 0.37 -0.51 4.44 4.39 2dv6A1 PRO 240 HB2 -0.01 -0.05 0.06 -0.04 2.28 2.23 2dv6A1 PRO 240 HB3 0.00 0.13 0.04 -0.04 2.02 2.15 2dv6A1 PRO 240 HG2 -0.05 0.04 -0.15 -0.04 2.03 1.83 2dv6A1 PRO 240 HG3 -0.06 0.06 -0.33 -0.04 2.03 1.66 2dv6A1 PRO 240 HD2 -0.04 0.02 0.09 -0.04 3.68 3.72 2dv6A1 PRO 240 HD3 -0.06 0.09 -0.05 -0.04 3.65 3.58 2dv6A1 GLY 241 H -0.00 0.62 -0.07 -0.55 8.43 8.43 2dv6A1 GLY 241 HA2 -0.06 -0.16 0.37 -0.51 4.01 3.65 2dv6A1 GLY 241 HA3 -0.03 0.08 0.57 -0.51 4.01 4.12 2dv6A1 GLU 242 H 0.01 0.46 -0.09 -0.55 8.60 8.42 2dv6A1 GLU 242 HA 0.01 0.13 0.80 -0.75 4.29 4.47 2dv6A1 GLU 242 HB2 0.01 0.06 0.02 -0.04 2.09 2.14 2dv6A1 GLU 242 HB3 0.01 -0.03 0.14 -0.04 1.99 2.07 2dv6A1 GLU 242 HG2 -0.00 0.15 -0.34 -0.04 2.34 2.11 2dv6A1 GLU 242 HG3 -0.00 -0.07 -0.06 -0.04 2.34 2.17 2dv6A1 GLU 243 H 0.02 0.23 0.24 -0.55 8.60 8.55 2dv6A1 GLU 243 HA 0.05 0.37 1.04 -0.75 4.29 4.99 2dv6A1 GLU 243 HB2 0.05 -0.02 -0.12 -0.04 2.09 1.95 2dv6A1 GLU 243 HB3 0.05 -0.06 -0.02 -0.04 1.99 1.92 2dv6A1 GLU 243 HG2 0.06 0.08 -0.22 -0.04 2.34 2.22 2dv6A1 GLU 243 HG3 0.10 0.00 -0.23 -0.04 2.34 2.17 2dv6A1 THR 244 H 0.05 0.60 0.35 -0.55 8.28 8.74 2dv6A1 THR 244 HA 0.03 0.08 0.79 -0.75 4.39 4.53 2dv6A1 THR 244 HB 0.05 -0.04 -0.18 -0.04 4.32 4.11 2dv6A1 THR 244 HG23 0.07 -0.02 -0.05 -0.04 1.22 1.18 2dv6A1 VAL 245 H -0.00 0.24 0.22 -0.55 8.24 8.15 2dv6A1 VAL 245 HA -0.13 0.37 0.88 -0.75 4.13 4.49 2dv6A1 VAL 245 HB -0.67 0.10 0.19 -0.04 2.12 1.70 2dv6A1 VAL 245 HG13 -0.09 -0.01 -0.20 -0.04 0.97 0.63 2dv6A1 VAL 245 HG23 -0.27 -0.03 -0.14 -0.04 0.95 0.47 2dv6A1 VAL 246 H -0.11 0.54 0.29 -0.55 8.24 8.42 2dv6A1 VAL 246 HA -0.10 0.12 0.83 -0.75 4.13 4.23 2dv6A1 VAL 246 HB 0.07 0.11 -0.24 -0.04 2.12 2.03 2dv6A1 VAL 246 HG13 0.15 -0.00 -0.12 -0.04 0.97 0.96 2dv6A1 VAL 246 HG23 -0.27 0.00 -0.06 -0.04 0.95 0.57 2dv6A1 THR 247 H -0.16 0.19 0.19 -0.55 8.28 7.96 2dv6A1 THR 247 HA -0.20 0.40 1.16 -0.75 4.39 4.99 2dv6A1 THR 247 HB -0.12 -0.04 0.09 -0.04 4.32 4.22 2dv6A1 THR 247 HG23 -0.14 0.00 -0.17 -0.04 1.22 0.87 2dv6A1 PHE 248 H -0.50 0.61 0.33 -0.55 8.34 8.23 2dv6A1 PHE 248 HA -0.15 0.12 0.76 -0.75 4.62 4.59 2dv6A1 PHE 248 HB2 -0.14 0.03 0.07 -0.04 3.15 3.07 2dv6A1 PHE 248 HB3 -0.19 0.04 -0.22 -0.04 3.06 2.66 2dv6A1 PHE 248 HD2 -0.17 0.09 -0.40 -0.04 7.28 6.75 2dv6A1 PHE 248 HE2 -0.43 0.02 -0.25 -0.04 7.38 6.68 2dv6A1 PHE 248 HZ -1.19 -0.00 -0.21 -0.04 7.32 5.88 2dv6A1 LYS 249 H 0.05 0.15 0.18 -0.55 8.42 8.24 2dv6A1 LYS 249 HA -0.09 0.22 0.98 -0.75 4.32 4.69 2dv6A1 LYS 249 HB2 -0.00 -0.04 0.11 -0.04 1.87 1.90 2dv6A1 LYS 249 HB3 -0.02 0.06 -0.09 -0.04 1.79 1.70 2dv6A1 LYS 249 HG2 -0.06 0.07 -0.04 -0.04 1.46 1.39 2dv6A1 LYS 249 HG3 -0.04 -0.06 -0.03 -0.04 1.46 1.28 2dv6A1 LYS 249 HD2 -0.03 -0.03 -0.04 -0.04 1.69 1.55 2dv6A1 LYS 249 HD3 -0.02 -0.02 -0.03 -0.04 1.68 1.57 2dv6A1 LYS 249 HE2 -0.02 -0.03 -0.04 -0.04 2.99 2.86 2dv6A1 LYS 249 HE3 -0.03 0.12 -0.09 -0.04 2.99 2.94 2dv6A1 ALA 250 H -0.05 0.70 0.18 -0.55 8.40 8.68 2dv6A1 ALA 250 HA 0.04 0.23 0.79 -0.75 4.34 4.64 2dv6A1 ALA 250 HB3 -0.02 0.01 -0.00 -0.04 1.41 1.35 2dv6A1 LEU 251 H -0.00 0.29 0.08 -0.55 8.37 8.18 2dv6A1 LEU 251 HA 0.01 0.09 0.41 -0.75 4.35 4.10 2dv6A1 LEU 251 HB2 0.00 0.05 -0.02 -0.04 1.64 1.63 2dv6A1 LEU 251 HB3 0.01 -0.01 0.04 -0.04 1.64 1.64 2dv6A1 LEU 251 HG 0.00 0.06 -0.17 -0.04 1.64 1.50 2dv6A1 LEU 251 HD13 -0.00 -0.00 -0.01 -0.04 0.93 0.88 2dv6A1 LEU 251 HD23 -0.00 -0.00 -0.10 -0.04 0.89 0.74 2dv6A1 ILE 252 H 0.04 0.19 -0.10 -0.55 8.25 7.82 2dv6A1 ILE 252 HA 0.07 0.17 0.89 -0.75 4.18 4.56 2dv6A1 ILE 252 HB 0.12 -0.00 0.01 -0.04 1.89 1.98 2dv6A1 ILE 252 HG12 0.05 0.08 -0.12 -0.04 1.49 1.46 2dv6A1 ILE 252 HG13 0.03 -0.20 -0.57 -0.04 1.21 0.43 2dv6A1 ILE 252 HG23 0.13 0.07 -0.06 -0.04 0.93 1.02 2dv6A1 ILE 252 HD13 0.04 -0.00 -0.06 -0.04 0.88 0.82 2dv6A1 PRO 253 HA 0.11 0.17 0.35 -0.51 4.44 4.56 2dv6A1 PRO 253 HB2 0.04 -0.05 -0.10 -0.04 2.28 2.13 2dv6A1 PRO 253 HB3 0.04 0.07 -0.26 -0.04 2.02 1.83 2dv6A1 PRO 253 HG2 0.04 0.00 0.05 -0.04 2.03 2.08 2dv6A1 PRO 253 HG3 0.04 -0.01 0.06 -0.04 2.03 2.07 2dv6A1 PRO 253 HD2 0.07 0.06 0.18 -0.04 3.68 3.95 2dv6A1 PRO 253 HD3 0.05 0.15 0.19 -0.04 3.65 4.00 2dv6A1 GLY 254 H 0.03 0.59 0.38 -0.55 8.43 8.88 2dv6A1 GLY 254 HA2 -0.15 -0.01 0.37 -0.51 4.01 3.71 2dv6A1 GLY 254 HA3 -0.50 0.13 0.52 -0.51 4.01 3.65 2dv6A1 ILE 255 H -0.31 0.43 0.17 -0.55 8.25 7.99 2dv6A1 ILE 255 HA -0.14 0.14 0.95 -0.75 4.18 4.37 2dv6A1 ILE 255 HB 0.06 -0.01 -0.07 -0.04 1.89 1.83 2dv6A1 ILE 255 HG12 0.26 0.01 -0.16 -0.04 1.49 1.56 2dv6A1 ILE 255 HG13 0.03 -0.01 -0.34 -0.04 1.21 0.84 2dv6A1 ILE 255 HG23 -0.00 0.02 -0.06 -0.04 0.93 0.85 2dv6A1 ILE 255 HD13 -0.12 0.01 -0.18 -0.04 0.88 0.56 2dv6A1 TYR 256 H 0.03 0.76 0.21 -0.55 8.29 8.74 2dv6A1 TYR 256 HA 0.08 0.19 0.67 -0.75 4.56 4.73 2dv6A1 TYR 256 HB2 0.05 0.03 0.02 -0.04 3.06 3.12 2dv6A1 TYR 256 HB3 0.12 -0.07 -0.12 -0.04 2.98 2.87 2dv6A1 TYR 256 HD2 0.07 0.04 -0.21 -0.04 7.15 7.01 2dv6A1 TYR 256 HE2 0.04 0.07 -0.11 -0.04 6.85 6.81 2dv6A1 VAL 257 H 0.10 0.19 0.09 -0.55 8.24 8.07 2dv6A1 VAL 257 HA -0.05 0.30 1.09 -0.75 4.13 4.72 2dv6A1 VAL 257 HB -0.07 0.03 0.05 -0.04 2.12 2.09 2dv6A1 VAL 257 HG13 -0.00 0.04 -0.30 -0.04 0.97 0.67 2dv6A1 VAL 257 HG23 -0.11 0.02 -0.06 -0.04 0.95 0.76 2dv6A1 TYR 258 H -0.27 0.59 0.29 -0.55 8.29 8.35 2dv6A1 TYR 258 HA -0.34 0.26 0.67 -0.75 4.56 4.39 2dv6A1 TYR 258 HB2 -0.68 0.07 -0.01 -0.04 3.06 2.40 2dv6A1 TYR 258 HB3 -0.03 -0.10 -0.06 -0.04 2.98 2.75 2dv6A1 TYR 258 HD2 -0.31 -0.01 -0.49 -0.04 7.15 6.29 2dv6A1 TYR 258 HE2 -0.71 0.15 -0.22 -0.04 6.85 6.03 2dv6A1 HIS 259 H -0.34 0.53 0.29 -0.55 8.41 8.34 2dv6A1 HIS 259 HA 0.30 0.12 0.64 -0.75 4.63 4.93 2dv6A1 HIS 259 HB2 0.19 0.12 0.20 -0.04 3.26 3.73 2dv6A1 HIS 259 HB3 0.10 -0.01 0.01 -0.04 3.20 3.26 2dv6A1 HIS 259 HD2 -0.14 -0.03 -0.23 -0.04 6.97 6.53 2dv6A1 HIS 259 HE1 0.11 -0.08 -0.09 -0.04 7.75 7.64 2dv6A1 CYS 260 H 0.48 0.41 0.18 -0.55 8.50 9.02 2dv6A1 CYS 260 HA 0.32 0.20 0.39 -0.75 4.58 4.74 2dv6A1 CYS 260 HB2 0.13 0.06 0.12 -0.04 2.97 3.24 2dv6A1 CYS 260 HB3 0.31 0.02 0.04 -0.04 2.97 3.30 2dv6A1 ALA 261 H 0.09 0.05 -0.23 -0.55 8.40 7.76 2dv6A1 ALA 261 HA 0.16 0.22 0.69 -0.75 4.34 4.66 2dv6A1 ALA 261 HB3 0.05 0.01 -0.08 -0.04 1.41 1.35 2dv6A1 THR 262 H -0.17 0.10 -0.25 -0.55 8.28 7.41 2dv6A1 THR 262 HA -0.10 0.21 0.73 -0.75 4.39 4.47 2dv6A1 THR 262 HB -0.86 0.01 -0.06 -0.04 4.32 3.37 2dv6A1 THR 262 HG23 -0.16 0.10 -0.19 -0.04 1.22 0.93 2dv6A1 PRO 263 HA 0.06 -0.22 0.44 -0.51 4.44 4.21 2dv6A1 PRO 263 HB2 0.02 0.04 0.03 -0.04 2.28 2.33 2dv6A1 PRO 263 HB3 0.03 -0.00 0.08 -0.04 2.02 2.09 2dv6A1 PRO 263 HG2 -0.00 0.05 0.05 -0.04 2.03 2.09 2dv6A1 PRO 263 HG3 0.01 0.03 0.04 -0.04 2.03 2.06 2dv6A1 PRO 263 HD2 -0.04 0.10 0.14 -0.04 3.68 3.84 2dv6A1 PRO 263 HD3 -0.03 0.28 0.16 -0.04 3.65 4.02 2dv6A1 SER 264 H 0.24 0.08 0.05 -0.55 8.46 8.28 2dv6A1 SER 264 HA 0.11 0.00 0.41 -0.75 4.49 4.26 2dv6A1 SER 264 HB2 0.12 0.07 0.10 -0.04 3.95 4.20 2dv6A1 SER 264 HB3 0.18 0.05 0.19 -0.04 3.93 4.32 2dv6A1 VAL 265 H 0.09 0.12 0.05 -0.55 8.24 7.95 2dv6A1 VAL 265 HA 0.15 0.20 0.25 -0.75 4.13 3.98 2dv6A1 VAL 265 HB 0.06 0.01 0.05 -0.04 2.12 2.20 2dv6A1 VAL 265 HG13 0.10 0.06 -0.10 -0.04 0.97 0.98 2dv6A1 VAL 265 HG23 0.07 -0.04 -0.29 -0.04 0.95 0.65 2dv6A1 PRO 266 HA 0.02 0.11 0.44 -0.51 4.44 4.51 2dv6A1 PRO 266 HB2 -0.06 0.04 -0.10 -0.04 2.28 2.12 2dv6A1 PRO 266 HB3 -0.04 0.10 0.07 -0.04 2.02 2.11 2dv6A1 PRO 266 HG2 0.02 -0.02 -0.03 -0.04 2.03 1.96 2dv6A1 PRO 266 HG3 -0.01 0.12 0.02 -0.04 2.03 2.11 2dv6A1 PRO 266 HD2 0.07 -0.10 0.02 -0.04 3.68 3.63 2dv6A1 PRO 266 HD3 0.03 0.18 0.09 -0.04 3.65 3.90 2dv6A1 THR 267 H 0.10 0.07 -0.46 -0.55 8.28 7.45 2dv6A1 THR 267 HA -0.04 0.05 0.60 -0.75 4.39 4.25 2dv6A1 THR 267 HB 0.19 0.20 0.11 -0.04 4.32 4.78 2dv6A1 THR 267 HG23 -0.19 -0.00 -0.11 -0.04 1.22 0.88 2dv6A1 HIS 268 H 0.41 0.56 0.01 -0.55 8.41 8.84 2dv6A1 HIS 268 HA 0.48 0.02 0.47 -0.75 4.63 4.84 2dv6A1 HIS 268 HB2 0.24 0.13 0.08 -0.04 3.26 3.67 2dv6A1 HIS 268 HB3 0.33 -0.09 0.00 -0.04 3.20 3.39 2dv6A1 HIS 268 HD2 0.26 0.28 -0.13 -0.04 6.97 7.34 2dv6A1 HIS 268 HE1 -0.54 0.25 -0.01 -0.04 7.75 7.40 2dv6A1 ILE 269 H 0.20 0.52 -0.17 -0.55 8.25 8.26 2dv6A1 ILE 269 HA 0.30 0.04 0.42 -0.75 4.18 4.18 2dv6A1 ILE 269 HB 0.06 -0.02 0.12 -0.04 1.89 2.02 2dv6A1 ILE 269 HG12 0.14 0.04 0.02 -0.04 1.49 1.65 2dv6A1 ILE 269 HG13 0.15 0.04 0.02 -0.04 1.21 1.38 2dv6A1 ILE 269 HG23 0.03 0.03 -0.34 -0.04 0.93 0.61 2dv6A1 ILE 269 HD13 -0.33 -0.00 -0.06 -0.04 0.88 0.44 2dv6A1 THR 270 H 0.07 0.59 0.00 -0.55 8.28 8.39 2dv6A1 THR 270 HA 0.13 0.11 0.39 -0.75 4.39 4.27 2dv6A1 THR 270 HB 0.12 -0.04 0.22 -0.04 4.32 4.58 2dv6A1 THR 270 HG23 -0.02 -0.01 0.13 -0.04 1.22 1.28 2dv6A1 ASN 271 H -0.08 0.37 -0.36 -0.55 8.53 7.91 2dv6A1 ASN 271 HA -0.08 0.03 0.45 -0.75 4.76 4.41 2dv6A1 ASN 271 HB2 -0.44 0.09 0.12 -0.04 2.88 2.62 2dv6A1 ASN 271 HB3 -0.65 -0.16 0.20 -0.04 2.79 2.13 2dv6A1 ASN 271 HD21 -1.42 -0.14 -0.01 -0.04 7.03 5.42 2dv6A1 ASN 271 HD22 -3.43 -0.04 -0.05 -0.04 7.74 4.19 2dv6A1 GLY 272 H 0.13 0.34 -0.41 -0.55 8.43 7.94 2dv6A1 GLY 272 HA2 -0.13 -0.04 0.20 -0.51 4.01 3.53 2dv6A1 GLY 272 HA3 0.05 0.15 0.86 -0.51 4.01 4.57 2dv6A1 MET 273 H 0.13 0.39 0.20 -0.55 8.47 8.65 2dv6A1 MET 273 HA -0.07 0.08 0.57 -0.75 4.52 4.35 2dv6A1 MET 273 HB2 0.19 -0.06 0.09 -0.04 2.15 2.33 2dv6A1 MET 273 HB3 -0.35 -0.10 0.05 -0.04 2.03 1.59 2dv6A1 MET 273 HG2 -0.19 0.04 -0.58 -0.04 2.63 1.87 2dv6A1 MET 273 HG3 0.18 0.24 -0.07 -0.04 2.56 2.87 2dv6A1 MET 273 HE3 -0.86 -0.00 -0.17 -0.04 2.10 1.03 2dv6A1 TYR 274 H -0.19 0.60 0.33 -0.55 8.29 8.48 2dv6A1 TYR 274 HA 0.08 0.24 0.91 -0.75 4.56 5.03 2dv6A1 TYR 274 HB2 -0.04 0.00 0.11 -0.04 3.06 3.10 2dv6A1 TYR 274 HB3 0.06 0.05 0.07 -0.04 2.98 3.12 2dv6A1 TYR 274 HD2 0.02 0.00 -0.25 -0.04 7.15 6.89 2dv6A1 TYR 274 HE2 0.03 0.10 -0.16 -0.04 6.85 6.79 2dv6A1 GLY 275 H -0.42 0.62 0.41 -0.55 8.43 8.49 2dv6A1 GLY 275 HA2 -0.02 0.10 0.58 -0.51 4.01 4.17 2dv6A1 GLY 275 HA3 -0.74 0.10 0.23 -0.51 4.01 3.08 2dv6A1 LEU 276 H 0.07 0.33 0.09 -0.55 8.37 8.32 2dv6A1 LEU 276 HA -0.06 0.30 1.06 -0.75 4.35 4.89 2dv6A1 LEU 276 HB2 -0.33 0.01 0.00 -0.04 1.64 1.28 2dv6A1 LEU 276 HB3 -0.38 -0.00 -0.15 -0.04 1.64 1.06 2dv6A1 LEU 276 HG 0.23 -0.07 -0.33 -0.04 1.64 1.42 2dv6A1 LEU 276 HD13 0.31 -0.00 -0.28 -0.04 0.93 0.92 2dv6A1 LEU 276 HD23 -0.01 0.01 -0.25 -0.04 0.89 0.60 2dv6A1 LEU 277 H -0.03 0.71 0.22 -0.55 8.37 8.72 2dv6A1 LEU 277 HA -0.24 0.22 0.87 -0.75 4.35 4.44 2dv6A1 LEU 277 HB2 0.24 -0.02 -0.20 -0.04 1.64 1.62 2dv6A1 LEU 277 HB3 0.18 -0.06 0.03 -0.04 1.64 1.75 2dv6A1 LEU 277 HG -0.06 -0.03 -0.20 -0.04 1.64 1.31 2dv6A1 LEU 277 HD13 0.03 -0.04 -0.26 -0.04 0.93 0.62 2dv6A1 LEU 277 HD23 -0.11 0.03 -0.36 -0.04 0.89 0.41 2dv6A1 LEU 278 H -0.47 0.93 0.32 -0.55 8.37 8.60 2dv6A1 LEU 278 HA -0.12 0.14 0.99 -0.75 4.35 4.61 2dv6A1 LEU 278 HB2 -0.31 -0.02 0.02 -0.04 1.64 1.28 2dv6A1 LEU 278 HB3 -0.13 0.04 0.19 -0.04 1.64 1.71 2dv6A1 LEU 278 HG -0.01 -0.04 -0.34 -0.04 1.64 1.20 2dv6A1 LEU 278 HD13 0.05 0.05 -0.14 -0.04 0.93 0.84 2dv6A1 LEU 278 HD23 0.00 -0.00 -0.09 -0.04 0.89 0.76 2dv6A1 VAL 279 H 0.07 0.70 0.26 -0.55 8.24 8.73 2dv6A1 VAL 279 HA 0.02 0.17 0.69 -0.75 4.13 4.25 2dv6A1 VAL 279 HB 0.24 0.02 0.16 -0.04 2.12 2.50 2dv6A1 VAL 279 HG13 0.05 -0.02 -0.47 -0.04 0.97 0.50 2dv6A1 VAL 279 HG23 0.11 0.00 -0.25 -0.04 0.95 0.77 2dv6A1 GLU 280 H 0.01 0.76 0.23 -0.55 8.60 9.05 2dv6A1 GLU 280 HA 0.02 0.05 0.36 -0.75 4.29 3.96 2dv6A1 GLU 280 HB2 0.00 -0.05 0.12 -0.04 2.09 2.12 2dv6A1 GLU 280 HB3 0.01 0.11 0.05 -0.04 1.99 2.12 2dv6A1 GLU 280 HG2 0.03 -0.04 -0.01 -0.04 2.34 2.29 2dv6A1 GLU 280 HG3 0.01 0.12 -0.00 -0.04 2.34 2.43 2dv6A1 PRO 281 HA 0.02 0.08 0.66 -0.51 4.44 4.70 2dv6A1 PRO 281 HB2 0.02 -0.06 -0.00 -0.04 2.28 2.20 2dv6A1 PRO 281 HB3 0.03 0.07 0.07 -0.04 2.02 2.14 2dv6A1 PRO 281 HG2 0.02 0.10 -0.26 -0.04 2.03 1.85 2dv6A1 PRO 281 HG3 0.02 0.17 -0.07 -0.04 2.03 2.11 2dv6A1 PRO 281 HD2 0.01 0.02 0.08 -0.04 3.68 3.74 2dv6A1 PRO 281 HD3 0.01 0.16 0.09 -0.04 3.65 3.86 2dv6A1 GLU 282 H 0.01 0.12 0.13 -0.55 8.60 8.31 2dv6A1 GLU 282 HA 0.00 0.11 0.38 -0.75 4.29 4.03 2dv6A1 GLU 282 HB2 0.01 -0.04 0.17 -0.04 2.09 2.19 2dv6A1 GLU 282 HB3 0.01 0.02 0.03 -0.04 1.99 2.00 2dv6A1 GLU 282 HG2 0.00 -0.00 -0.01 -0.04 2.34 2.28 2dv6A1 GLU 282 HG3 0.00 0.07 0.06 -0.04 2.34 2.43 2dv6A1 GLY 283 H 0.01 0.03 -0.20 -0.55 8.43 7.72 2dv6A1 GLY 283 HA2 0.00 0.10 0.46 -0.51 4.01 4.07 2dv6A1 GLY 283 HA3 0.01 -0.04 0.28 -0.51 4.01 3.74 2dv6A1 GLY 284 H 0.01 0.42 -0.57 -0.55 8.43 7.75 2dv6A1 GLY 284 HA2 0.01 -0.06 0.30 -0.51 4.01 3.74 2dv6A1 GLY 284 HA3 0.01 0.17 0.58 -0.51 4.01 4.25 2dv6A1 LEU 285 H 0.02 0.04 0.08 -0.55 8.37 7.96 2dv6A1 LEU 285 HA -0.00 0.11 0.62 -0.75 4.35 4.32 2dv6A1 LEU 285 HB2 0.01 -0.00 -0.00 -0.04 1.64 1.61 2dv6A1 LEU 285 HB3 -0.06 0.06 0.02 -0.04 1.64 1.61 2dv6A1 LEU 285 HG 0.02 -0.09 0.00 -0.04 1.64 1.54 2dv6A1 LEU 285 HD13 0.13 -0.01 -0.07 -0.04 0.93 0.94 2dv6A1 LEU 285 HD23 -0.16 0.01 -0.03 -0.04 0.89 0.67 2dv6A1 PRO 286 HA 0.00 0.01 0.37 -0.51 4.44 4.31 2dv6A1 PRO 286 HB2 0.00 -0.01 -0.07 -0.04 2.28 2.16 2dv6A1 PRO 286 HB3 -0.01 0.01 0.04 -0.04 2.02 2.02 2dv6A1 PRO 286 HG2 0.05 0.00 0.02 -0.04 2.03 2.07 2dv6A1 PRO 286 HG3 0.01 0.05 0.05 -0.04 2.03 2.10 2dv6A1 PRO 286 HD2 0.02 0.05 0.13 -0.04 3.68 3.84 2dv6A1 PRO 286 HD3 0.04 0.17 0.16 -0.04 3.65 3.99 2dv6A1 GLN 287 H -0.00 0.04 0.15 -0.55 8.47 8.11 2dv6A1 GLN 287 HA -0.01 0.13 0.50 -0.75 4.36 4.22 2dv6A1 GLN 287 HB2 -0.01 -0.07 0.06 -0.04 2.15 2.09 2dv6A1 GLN 287 HB3 -0.01 0.03 0.01 -0.04 2.02 2.00 2dv6A1 GLN 287 HG2 -0.00 0.12 0.03 -0.04 2.40 2.50 2dv6A1 GLN 287 HG3 -0.00 -0.05 0.04 -0.04 2.39 2.34 2dv6A1 GLN 287 HE21 -0.01 -0.01 -0.00 -0.04 6.97 6.90 2dv6A1 GLN 287 HE22 -0.01 0.01 0.05 -0.04 7.69 7.70 2dv6A1 VAL 288 H -0.03 0.36 0.22 -0.55 8.24 8.24 2dv6A1 VAL 288 HA -0.03 0.03 0.65 -0.75 4.13 4.02 2dv6A1 VAL 288 HB -0.05 0.10 -0.22 -0.04 2.12 1.90 2dv6A1 VAL 288 HG13 -0.10 -0.03 -0.21 -0.04 0.97 0.58 2dv6A1 VAL 288 HG23 -0.04 -0.01 -0.36 -0.04 0.95 0.50 2dv6A1 ASP 289 H -0.05 0.35 0.30 -0.55 8.40 8.44 2dv6A1 ASP 289 HA -0.04 0.08 0.69 -0.75 4.63 4.60 2dv6A1 ASP 289 HB2 -0.04 0.13 0.25 -0.04 2.71 3.00 2dv6A1 ASP 289 HB3 -0.03 -0.02 0.12 -0.04 2.70 2.73 2dv6A1 ARG 290 H -0.12 0.30 0.15 -0.55 8.46 8.24 2dv6A1 ARG 290 HA -0.20 0.17 0.82 -0.75 4.34 4.37 2dv6A1 ARG 290 HB2 -0.10 -0.10 -0.24 -0.04 1.90 1.42 2dv6A1 ARG 290 HB3 -0.23 -0.08 -0.06 -0.04 1.80 1.39 2dv6A1 ARG 290 HG2 -0.69 0.06 0.01 -0.04 1.67 1.00 2dv6A1 ARG 290 HG3 -0.22 0.06 0.14 -0.04 1.67 1.61 2dv6A1 ARG 290 HD2 0.01 -0.12 -0.03 -0.04 3.22 3.04 2dv6A1 ARG 290 HD3 0.19 0.03 0.09 -0.04 3.22 3.48 2dv6A1 GLU 291 H -0.39 0.31 0.23 -0.55 8.60 8.20 2dv6A1 GLU 291 HA -0.21 0.23 1.09 -0.75 4.29 4.63 2dv6A1 GLU 291 HB2 -0.10 0.04 0.02 -0.04 2.09 2.01 2dv6A1 GLU 291 HB3 0.08 0.04 -0.01 -0.04 1.99 2.05 2dv6A1 GLU 291 HG2 -0.12 -0.01 -0.12 -0.04 2.34 2.06 2dv6A1 GLU 291 HG3 -0.10 -0.08 -0.34 -0.04 2.34 1.78 2dv6A1 PHE 292 H 0.10 0.48 0.42 -0.55 8.34 8.79 2dv6A1 PHE 292 HA 0.08 0.42 0.97 -0.75 4.62 5.34 2dv6A1 PHE 292 HB2 0.08 -0.10 0.05 -0.04 3.15 3.15 2dv6A1 PHE 292 HB3 0.10 0.00 0.02 -0.04 3.06 3.14 2dv6A1 PHE 292 HD2 0.03 0.04 -0.23 -0.04 7.28 7.07 2dv6A1 PHE 292 HE2 0.02 -0.05 -0.10 -0.04 7.38 7.22 2dv6A1 PHE 292 HZ 0.05 0.27 -0.14 -0.04 7.32 7.46 2dv6A1 TYR 293 H 0.36 0.60 0.31 -0.55 8.29 9.02 2dv6A1 TYR 293 HA 0.26 0.15 0.97 -0.75 4.56 5.19 2dv6A1 TYR 293 HB2 -0.02 -0.01 -0.16 -0.04 3.06 2.83 2dv6A1 TYR 293 HB3 0.10 0.07 0.10 -0.04 2.98 3.21 2dv6A1 TYR 293 HD2 0.21 0.14 -0.02 -0.04 7.15 7.43 2dv6A1 TYR 293 HE2 0.14 0.02 -0.11 -0.04 6.85 6.86 2dv6A1 VAL 294 H 0.34 0.68 0.30 -0.55 8.24 9.02 2dv6A1 VAL 294 HA -0.00 0.18 0.96 -0.75 4.13 4.51 2dv6A1 VAL 294 HB 0.17 -0.04 -0.01 -0.04 2.12 2.21 2dv6A1 VAL 294 HG13 -0.09 -0.02 -0.13 -0.04 0.97 0.69 2dv6A1 VAL 294 HG23 0.06 0.00 -0.28 -0.04 0.95 0.70 2dv6A1 MET 295 H 0.04 0.21 0.28 -0.55 8.47 8.45 2dv6A1 MET 295 HA -0.24 0.31 0.96 -0.75 4.52 4.80 2dv6A1 MET 295 HB2 0.11 0.00 0.05 -0.04 2.15 2.27 2dv6A1 MET 295 HB3 0.08 -0.04 -0.02 -0.04 2.03 2.01 2dv6A1 MET 295 HG2 -0.03 -0.03 0.03 -0.04 2.63 2.56 2dv6A1 MET 295 HG3 0.03 0.01 -0.37 -0.04 2.56 2.19 2dv6A1 MET 295 HE3 -0.03 -0.02 -0.27 -0.04 2.10 1.74 2dv6A1 GLN 296 H -0.15 0.50 0.43 -0.55 8.47 8.70 2dv6A1 GLN 296 HA 0.24 0.43 1.07 -0.75 4.36 5.35 2dv6A1 GLN 296 HB2 0.57 -0.03 -0.04 -0.04 2.15 2.61 2dv6A1 GLN 296 HB3 0.14 -0.02 0.16 -0.04 2.02 2.26 2dv6A1 GLN 296 HG2 0.14 -0.04 -0.22 -0.04 2.40 2.24 2dv6A1 GLN 296 HG3 0.09 0.06 -0.02 -0.04 2.39 2.49 2dv6A1 GLN 296 HE21 0.14 -0.09 -0.14 -0.04 6.97 6.84 2dv6A1 GLN 296 HE22 0.25 0.02 -0.17 -0.04 7.69 7.76 2dv6A1 GLY 297 H 0.08 0.58 0.37 -0.55 8.43 8.91 2dv6A1 GLY 297 HA2 -0.13 -0.01 0.60 -0.51 4.01 3.97 2dv6A1 GLY 297 HA3 -0.03 0.12 0.42 -0.51 4.01 4.00 2dv6A1 GLU 298 H -0.06 0.69 0.36 -0.55 8.60 9.04 2dv6A1 GLU 298 HA -0.42 0.29 1.08 -0.75 4.29 4.48 2dv6A1 GLU 298 HB2 -0.19 -0.04 -0.07 -0.04 2.09 1.74 2dv6A1 GLU 298 HB3 -0.95 0.02 0.03 -0.04 1.99 1.04 2dv6A1 GLU 298 HG2 -0.79 0.04 -0.09 -0.04 2.34 1.45 2dv6A1 GLU 298 HG3 -0.29 -0.02 -0.32 -0.04 2.34 1.67 2dv6A1 ILE 299 H -0.43 0.59 0.37 -0.55 8.25 8.22 2dv6A1 ILE 299 HA -0.19 0.19 0.83 -0.75 4.18 4.25 2dv6A1 ILE 299 HB -0.33 -0.03 -0.01 -0.04 1.89 1.48 2dv6A1 ILE 299 HG12 -0.35 0.17 0.01 -0.04 1.49 1.28 2dv6A1 ILE 299 HG13 -0.20 -0.02 -0.46 -0.04 1.21 0.50 2dv6A1 ILE 299 HG23 -0.82 -0.04 -0.20 -0.04 0.93 -0.16 2dv6A1 ILE 299 HD13 -0.71 -0.00 -0.13 -0.04 0.88 0.01 2dv6A1 TYR 300 H 0.03 0.23 0.03 -0.55 8.29 8.03 2dv6A1 TYR 300 HA -0.06 0.10 0.86 -0.75 4.56 4.70 2dv6A1 TYR 300 HB2 -0.05 -0.05 0.16 -0.04 3.06 3.08 2dv6A1 TYR 300 HB3 -0.04 0.04 -0.04 -0.04 2.98 2.90 2dv6A1 TYR 300 HD2 -0.08 0.10 -0.42 -0.04 7.15 6.71 2dv6A1 TYR 300 HE2 -0.02 0.03 -0.20 -0.04 6.85 6.62 2dv6A1 THR 301 H 0.07 0.19 0.12 -0.55 8.28 8.11 2dv6A1 THR 301 HA 0.11 0.33 0.67 -0.75 4.39 4.74 2dv6A1 THR 301 HB 0.11 -0.13 0.09 -0.04 4.32 4.35 2dv6A1 THR 301 HG23 -0.05 -0.02 -0.21 -0.04 1.22 0.90 2dv6A1 VAL 302 H 0.08 0.35 0.24 -0.55 8.24 8.36 2dv6A1 VAL 302 HA 0.06 0.00 0.46 -0.75 4.13 3.90 2dv6A1 VAL 302 HB 0.05 -0.06 0.15 -0.04 2.12 2.22 2dv6A1 VAL 302 HG13 0.04 -0.00 -0.08 -0.04 0.97 0.89 2dv6A1 VAL 302 HG23 0.05 0.01 -0.12 -0.04 0.95 0.85 2dv6A1 LYS 303 H 0.07 -0.01 -0.05 -0.55 8.42 7.87 2dv6A1 LYS 303 HA 0.05 0.11 0.62 -0.75 4.32 4.35 2dv6A1 LYS 303 HB2 0.06 0.03 -0.04 -0.04 1.87 1.88 2dv6A1 LYS 303 HB3 0.04 0.01 0.04 -0.04 1.79 1.84 2dv6A1 LYS 303 HG2 0.04 0.01 -0.04 -0.04 1.46 1.43 2dv6A1 LYS 303 HG3 0.04 -0.10 -0.01 -0.04 1.46 1.36 2dv6A1 LYS 303 HD2 0.03 0.11 -0.09 -0.04 1.69 1.70 2dv6A1 LYS 303 HD3 0.04 -0.03 -0.02 -0.04 1.68 1.63 2dv6A1 LYS 303 HE2 0.03 0.04 -0.02 -0.04 2.99 2.99 2dv6A1 LYS 303 HE3 0.02 0.04 -0.01 -0.04 2.99 3.01 2dv6A1 SER 304 H 0.03 0.05 0.11 -0.55 8.46 8.10 2dv6A1 SER 304 HA 0.03 0.10 0.41 -0.75 4.49 4.27 2dv6A1 SER 304 HB2 -0.00 -0.02 0.01 -0.04 3.95 3.89 2dv6A1 SER 304 HB3 0.02 0.07 0.08 -0.04 3.93 4.06 2dv6A1 PHE 305 H 0.03 0.14 0.19 -0.55 8.34 8.14 2dv6A1 PHE 305 HA -0.75 -0.00 0.44 -0.75 4.62 3.56 2dv6A1 PHE 305 HB2 -0.39 0.41 0.29 -0.04 3.15 3.42 2dv6A1 PHE 305 HB3 -0.33 -0.07 0.16 -0.04 3.06 2.77 2dv6A1 PHE 305 HD2 -0.93 -0.05 -0.02 -0.04 7.28 6.24 2dv6A1 PHE 305 HE2 -0.10 -0.04 -0.05 -0.04 7.38 7.14 2dv6A1 PHE 305 HZ -0.11 -0.07 -0.06 -0.04 7.32 7.04 2dv6A1 GLY 306 H -0.72 0.16 0.15 -0.55 8.43 7.48 2dv6A1 GLY 306 HA2 -0.72 -0.00 0.33 -0.51 4.01 3.12 2dv6A1 GLY 306 HA3 -0.50 0.16 0.53 -0.51 4.01 3.69 2dv6A1 THR 307 H -0.13 0.50 -0.27 -0.55 8.28 7.83 2dv6A1 THR 307 HA -0.05 -0.04 0.85 -0.75 4.39 4.40 2dv6A1 THR 307 HB 0.01 0.04 0.01 -0.04 4.32 4.34 2dv6A1 THR 307 HG23 0.02 0.05 -0.07 -0.04 1.22 1.18 2dv6A1 SER 308 H -0.02 0.07 0.16 -0.55 8.46 8.13 2dv6A1 SER 308 HA -0.02 0.13 0.30 -0.75 4.49 4.14 2dv6A1 SER 308 HB2 -0.01 0.15 0.15 -0.04 3.95 4.20 2dv6A1 SER 308 HB3 -0.02 -0.02 0.05 -0.04 3.93 3.90 2dv6A1 GLY 309 H -0.00 0.65 0.49 -0.55 8.43 9.02 2dv6A1 GLY 309 HA2 0.01 -0.01 0.37 -0.51 4.01 3.87 2dv6A1 GLY 309 HA3 0.01 0.15 0.79 -0.51 4.01 4.46 2dv6A1 GLU 310 H 0.01 0.13 0.16 -0.55 8.60 8.36 2dv6A1 GLU 310 HA 0.02 0.06 0.69 -0.75 4.29 4.30 2dv6A1 GLU 310 HB2 0.01 -0.01 0.17 -0.04 2.09 2.22 2dv6A1 GLU 310 HB3 -0.00 0.05 -0.00 -0.04 1.99 1.99 2dv6A1 GLU 310 HG2 0.01 -0.01 -0.07 -0.04 2.34 2.23 2dv6A1 GLU 310 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 2dv6A1 GLN 311 H 0.04 0.77 0.42 -0.55 8.47 9.16 2dv6A1 GLN 311 HA 0.05 0.06 0.65 -0.75 4.36 4.37 2dv6A1 GLN 311 HB2 0.16 0.02 0.10 -0.04 2.15 2.39 2dv6A1 GLN 311 HB3 0.10 -0.09 0.03 -0.04 2.02 2.01 2dv6A1 GLN 311 HG2 0.01 0.13 0.02 -0.04 2.40 2.51 2dv6A1 GLN 311 HG3 -0.07 -0.04 -0.08 -0.04 2.39 2.16 2dv6A1 GLN 311 HE21 0.03 0.02 -0.39 -0.04 6.97 6.60 2dv6A1 GLN 311 HE22 0.02 0.01 -0.54 -0.04 7.69 7.14 2dv6A1 GLU 312 H 0.08 0.09 0.27 -0.55 8.60 8.49 2dv6A1 GLU 312 HA -0.05 0.17 0.94 -0.75 4.29 4.59 2dv6A1 GLU 312 HB2 0.03 -0.05 0.06 -0.04 2.09 2.09 2dv6A1 GLU 312 HB3 -0.01 0.04 0.12 -0.04 1.99 2.10 2dv6A1 GLU 312 HG2 -0.03 0.09 -0.22 -0.04 2.34 2.14 2dv6A1 GLU 312 HG3 0.01 0.04 -0.21 -0.04 2.34 2.14 2dv6A1 MET 313 H -0.03 0.14 0.19 -0.55 8.47 8.21 2dv6A1 MET 313 HA 0.16 0.27 0.53 -0.75 4.52 4.72 2dv6A1 MET 313 HB2 -0.04 0.05 0.12 -0.04 2.15 2.24 2dv6A1 MET 313 HB3 -0.02 -0.05 0.07 -0.04 2.03 1.99 2dv6A1 MET 313 HG2 0.05 -0.06 -0.28 -0.04 2.63 2.29 2dv6A1 MET 313 HG3 0.08 0.04 0.06 -0.04 2.56 2.69 2dv6A1 MET 313 HE3 0.04 -0.02 -0.08 -0.04 2.10 2.00 2dv6A1 ASP 314 H 0.10 0.74 0.24 -0.55 8.40 8.93 2dv6A1 ASP 314 HA 0.07 0.11 0.82 -0.75 4.63 4.89 2dv6A1 ASP 314 HB2 0.07 0.05 -0.29 -0.04 2.71 2.51 2dv6A1 ASP 314 HB3 0.09 0.07 -0.13 -0.04 2.70 2.68 2dv6A1 TYR 315 H 0.16 0.25 0.06 -0.55 8.29 8.21 2dv6A1 TYR 315 HA -0.06 0.09 0.45 -0.75 4.56 4.28 2dv6A1 TYR 315 HB2 -0.02 0.06 0.07 -0.04 3.06 3.12 2dv6A1 TYR 315 HB3 -0.01 0.01 0.12 -0.04 2.98 3.05 2dv6A1 TYR 315 HD2 -0.02 -0.01 -0.07 -0.04 7.15 7.00 2dv6A1 TYR 315 HE2 -0.02 0.02 -0.05 -0.04 6.85 6.76 2dv6A1 GLU 316 H 0.08 0.11 -0.10 -0.55 8.60 8.15 2dv6A1 GLU 316 HA -0.19 0.08 0.36 -0.75 4.29 3.79 2dv6A1 GLU 316 HB2 0.06 0.00 0.07 -0.04 2.09 2.18 2dv6A1 GLU 316 HB3 0.02 -0.00 0.02 -0.04 1.99 1.99 2dv6A1 GLU 316 HG2 -0.02 0.00 0.01 -0.04 2.34 2.29 2dv6A1 GLU 316 HG3 0.02 0.02 -0.03 -0.04 2.34 2.31 2dv6A1 LYS 317 H -0.02 0.06 -0.38 -0.55 8.42 7.52 2dv6A1 LYS 317 HA 0.01 0.11 0.32 -0.75 4.32 4.01 2dv6A1 LYS 317 HB2 0.10 0.01 0.01 -0.04 1.87 1.95 2dv6A1 LYS 317 HB3 0.23 0.22 -0.07 -0.04 1.79 2.13 2dv6A1 LYS 317 HG2 0.06 0.03 -0.02 -0.04 1.46 1.49 2dv6A1 LYS 317 HG3 0.05 -0.15 -0.05 -0.04 1.46 1.26 2dv6A1 LYS 317 HD2 0.08 0.01 -0.11 -0.04 1.69 1.63 2dv6A1 LYS 317 HD3 0.07 0.10 -0.03 -0.04 1.68 1.78 2dv6A1 LYS 317 HE2 0.04 -0.08 -0.04 -0.04 2.99 2.88 2dv6A1 LYS 317 HE3 0.05 -0.08 0.01 -0.04 2.99 2.92 2dv6A1 LEU 318 H -0.21 0.49 -0.08 -0.55 8.37 8.04 2dv6A1 LEU 318 HA -1.63 0.01 0.42 -0.75 4.35 2.40 2dv6A1 LEU 318 HB2 -0.30 0.07 0.13 -0.04 1.64 1.49 2dv6A1 LEU 318 HB3 -0.39 0.05 0.08 -0.04 1.64 1.35 2dv6A1 LEU 318 HG -0.33 -0.00 -0.02 -0.04 1.64 1.25 2dv6A1 LEU 318 HD13 -0.08 -0.02 -0.15 -0.04 0.93 0.63 2dv6A1 LEU 318 HD23 -0.51 0.02 -0.11 -0.04 0.89 0.26 2dv6A1 ILE 319 H -0.50 0.64 -0.06 -0.55 8.25 7.77 2dv6A1 ILE 319 HA -0.28 0.06 0.23 -0.75 4.18 3.44 2dv6A1 ILE 319 HB -0.23 -0.01 0.03 -0.04 1.89 1.65 2dv6A1 ILE 319 HG12 -1.11 0.04 -0.02 -0.04 1.49 0.35 2dv6A1 ILE 319 HG13 -0.36 0.13 0.01 -0.04 1.21 0.95 2dv6A1 ILE 319 HG23 -0.30 -0.02 -0.01 -0.04 0.93 0.56 2dv6A1 ILE 319 HD13 -0.16 -0.02 -0.08 -0.04 0.88 0.58 2dv6A1 ASN 320 H -0.19 0.37 -0.39 -0.55 8.53 7.77 2dv6A1 ASN 320 HA -0.08 0.14 0.80 -0.75 4.76 4.87 2dv6A1 ASN 320 HB2 -0.05 0.13 0.06 -0.04 2.88 2.98 2dv6A1 ASN 320 HB3 -0.02 -0.04 0.11 -0.04 2.79 2.80 2dv6A1 ASN 320 HD21 -0.05 -0.08 -0.03 -0.04 7.03 6.83 2dv6A1 ASN 320 HD22 -0.05 0.03 -0.01 -0.04 7.74 7.67 2dv6A1 GLU 321 H -0.12 0.32 -0.44 -0.55 8.60 7.81 2dv6A1 GLU 321 HA 0.21 -0.03 0.26 -0.75 4.29 3.98 2dv6A1 GLU 321 HB2 0.00 0.12 -0.15 -0.04 2.09 2.02 2dv6A1 GLU 321 HB3 -0.03 -0.08 0.08 -0.04 1.99 1.92 2dv6A1 GLU 321 HG2 -0.10 -0.03 -0.05 -0.04 2.34 2.12 2dv6A1 GLU 321 HG3 -0.09 0.07 -0.27 -0.04 2.34 2.00 2dv6A1 LYS 322 H 0.24 0.58 -0.08 -0.55 8.42 8.61 2dv6A1 LYS 322 HA 0.12 0.20 0.81 -0.75 4.32 4.70 2dv6A1 LYS 322 HB2 0.09 -0.13 0.09 -0.04 1.87 1.88 2dv6A1 LYS 322 HB3 0.06 -0.01 0.04 -0.04 1.79 1.84 2dv6A1 LYS 322 HG2 0.06 -0.00 -0.08 -0.04 1.46 1.39 2dv6A1 LYS 322 HG3 0.07 0.21 -0.48 -0.04 1.46 1.22 2dv6A1 LYS 322 HD2 0.02 -0.06 -0.13 -0.04 1.69 1.48 2dv6A1 LYS 322 HD3 0.03 -0.05 -0.07 -0.04 1.68 1.55 2dv6A1 LYS 322 HE2 0.03 0.00 -0.06 -0.04 2.99 2.92 2dv6A1 LYS 322 HE3 0.01 0.08 -0.07 -0.04 2.99 2.98 2dv6A1 PRO 323 HA -0.87 -0.01 0.23 -0.51 4.44 3.28 2dv6A1 PRO 323 HB2 -1.25 0.08 -0.14 -0.04 2.28 0.92 2dv6A1 PRO 323 HB3 -1.30 -0.04 -0.05 -0.04 2.02 0.59 2dv6A1 PRO 323 HG2 -0.87 0.02 -0.08 -0.04 2.03 1.06 2dv6A1 PRO 323 HG3 -0.82 -0.02 -0.10 -0.04 2.03 1.05 2dv6A1 PRO 323 HD2 -0.14 0.11 0.04 -0.04 3.68 3.64 2dv6A1 PRO 323 HD3 0.24 0.23 -0.43 -0.04 3.65 3.65 2dv6A1 GLU 324 H -0.38 0.40 0.47 -0.55 8.60 8.54 2dv6A1 GLU 324 HA -0.09 0.19 1.01 -0.75 4.29 4.64 2dv6A1 GLU 324 HB2 0.07 -0.10 0.19 -0.04 2.09 2.21 2dv6A1 GLU 324 HB3 -0.07 -0.10 0.08 -0.04 1.99 1.87 2dv6A1 GLU 324 HG2 -0.01 0.03 -0.03 -0.04 2.34 2.28 2dv6A1 GLU 324 HG3 0.05 0.26 0.01 -0.04 2.34 2.63 2dv6A1 TYR 325 H -0.19 0.38 0.38 -0.55 8.29 8.30 2dv6A1 TYR 325 HA 0.01 0.39 1.05 -0.75 4.56 5.25 2dv6A1 TYR 325 HB2 -0.21 -0.14 0.13 -0.04 3.06 2.80 2dv6A1 TYR 325 HB3 -0.05 0.10 -0.03 -0.04 2.98 2.95 2dv6A1 TYR 325 HD2 0.07 -0.00 -0.07 -0.04 7.15 7.11 2dv6A1 TYR 325 HE2 -0.08 0.01 -0.10 -0.04 6.85 6.64 2dv6A1 PHE 326 H 0.06 0.80 0.22 -0.55 8.34 8.88 2dv6A1 PHE 326 HA -0.17 0.20 0.90 -0.75 4.62 4.80 2dv6A1 PHE 326 HB2 -0.24 0.01 0.00 -0.04 3.15 2.88 2dv6A1 PHE 326 HB3 -0.24 -0.05 -0.11 -0.04 3.06 2.62 2dv6A1 PHE 326 HD2 -0.32 0.01 -0.16 -0.04 7.28 6.77 2dv6A1 PHE 326 HE2 -0.61 0.01 -0.14 -0.04 7.38 6.59 2dv6A1 PHE 326 HZ -1.38 0.03 -0.10 -0.04 7.32 5.83 2dv6A1 LEU 327 H 0.01 0.61 0.26 -0.55 8.37 8.71 2dv6A1 LEU 327 HA -0.03 0.26 0.81 -0.75 4.35 4.64 2dv6A1 LEU 327 HB2 0.05 0.06 -0.16 -0.04 1.64 1.56 2dv6A1 LEU 327 HB3 0.10 -0.09 -0.39 -0.04 1.64 1.21 2dv6A1 LEU 327 HG 0.07 -0.00 -0.53 -0.04 1.64 1.14 2dv6A1 LEU 327 HD13 0.13 0.03 -0.33 -0.04 0.93 0.72 2dv6A1 LEU 327 HD23 -0.02 0.00 -0.31 -0.04 0.89 0.52 2dv6A1 PHE 328 H 0.05 0.25 0.19 -0.55 8.34 8.27 2dv6A1 PHE 328 HA 0.13 0.28 0.93 -0.75 4.62 5.21 2dv6A1 PHE 328 HB2 0.06 -0.03 0.14 -0.04 3.15 3.29 2dv6A1 PHE 328 HB3 0.11 0.06 0.00 -0.04 3.06 3.19 2dv6A1 PHE 328 HD2 0.15 0.10 -0.34 -0.04 7.28 7.15 2dv6A1 PHE 328 HE2 0.26 0.12 -0.41 -0.04 7.38 7.30 2dv6A1 PHE 328 HZ 0.21 -0.07 -0.59 -0.04 7.32 6.82 2dv6A1 ASN 329 H 0.23 0.53 0.26 -0.55 8.53 9.01 2dv6A1 ASN 329 HA 0.07 0.11 0.43 -0.75 4.76 4.61 2dv6A1 ASN 329 HB2 0.15 -0.07 -0.14 -0.04 2.88 2.77 2dv6A1 ASN 329 HB3 0.07 0.11 0.40 -0.04 2.79 3.33 2dv6A1 ASN 329 HD21 -0.09 0.38 0.25 -0.04 7.03 7.53 2dv6A1 ASN 329 HD22 -0.01 0.41 0.08 -0.04 7.74 8.18 2dv6A1 GLY 330 H 0.14 -0.00 -0.47 -0.55 8.43 7.55 2dv6A1 GLY 330 HA2 0.11 -0.02 0.17 -0.51 4.01 3.76 2dv6A1 GLY 330 HA3 -0.01 0.19 0.08 -0.51 4.01 3.76 2dv6A1 SER 331 H 0.07 0.36 -0.08 -0.55 8.46 8.27 2dv6A1 SER 331 HA 0.06 0.17 0.97 -0.75 4.49 4.94 2dv6A1 SER 331 HB2 -0.04 -0.02 -0.41 -0.04 3.95 3.45 2dv6A1 SER 331 HB3 -0.01 -0.10 -0.18 -0.04 3.93 3.60 2dv6A1 VAL 332 H 0.04 0.72 0.29 -0.55 8.24 8.74 2dv6A1 VAL 332 HA 0.07 0.14 0.81 -0.75 4.13 4.40 2dv6A1 VAL 332 HB 0.06 -0.04 0.37 -0.04 2.12 2.47 2dv6A1 VAL 332 HG13 0.08 -0.01 0.02 -0.04 0.97 1.02 2dv6A1 VAL 332 HG23 0.34 0.03 0.12 -0.04 0.95 1.40 2dv6A1 GLY 333 H -0.01 0.28 0.34 -0.55 8.43 8.50 2dv6A1 GLY 333 HA2 -0.10 0.00 0.43 -0.51 4.01 3.83 2dv6A1 GLY 333 HA3 -0.07 0.12 0.54 -0.51 4.01 4.09 2dv6A1 SER 334 H -0.01 0.43 -0.25 -0.55 8.46 8.08 2dv6A1 SER 334 HA -0.15 0.04 0.36 -0.75 4.49 3.99 2dv6A1 SER 334 HB2 0.04 -0.03 0.12 -0.04 3.95 4.03 2dv6A1 SER 334 HB3 0.09 0.05 0.24 -0.04 3.93 4.27 2dv6A1 LEU 335 H 0.02 0.13 -0.02 -0.55 8.37 7.95 2dv6A1 LEU 335 HA 0.05 0.37 0.55 -0.75 4.35 4.56 2dv6A1 LEU 335 HB2 0.06 -0.01 0.19 -0.04 1.64 1.84 2dv6A1 LEU 335 HB3 -0.00 -0.02 0.25 -0.04 1.64 1.82 2dv6A1 LEU 335 HG 0.16 0.02 -0.07 -0.04 1.64 1.71 2dv6A1 LEU 335 HD13 -0.03 -0.02 -0.01 -0.04 0.93 0.82 2dv6A1 LEU 335 HD23 0.18 0.07 -0.09 -0.04 0.89 1.01 2dv6A1 THR 336 H -0.15 0.03 -0.39 -0.55 8.28 7.23 2dv6A1 THR 336 HA -0.37 0.18 0.96 -0.75 4.39 4.41 2dv6A1 THR 336 HB -0.42 0.05 -0.01 -0.04 4.32 3.89 2dv6A1 THR 336 HG23 -1.07 0.03 -0.21 -0.04 1.22 -0.08 2dv6A1 ARG 337 H -0.10 0.25 0.20 -0.55 8.46 8.26 2dv6A1 ARG 337 HA 0.05 0.21 0.73 -0.75 4.34 4.57 2dv6A1 ARG 337 HB2 -0.07 -0.01 0.19 -0.04 1.90 1.97 2dv6A1 ARG 337 HB3 -0.03 -0.00 0.06 -0.04 1.80 1.78 2dv6A1 ARG 337 HG2 0.06 0.00 -0.01 -0.04 1.67 1.67 2dv6A1 ARG 337 HG3 -0.01 -0.11 -0.08 -0.04 1.67 1.42 2dv6A1 ARG 337 HD2 -0.40 0.01 0.01 -0.04 3.22 2.79 2dv6A1 ARG 337 HD3 -0.16 -0.05 0.04 -0.04 3.22 3.01 2dv6A1 SER 338 H -0.15 0.40 0.16 -0.55 8.46 8.32 2dv6A1 SER 338 HA -0.11 0.02 0.40 -0.75 4.49 4.04 2dv6A1 SER 338 HB2 -0.52 0.21 0.30 -0.04 3.95 3.89 2dv6A1 SER 338 HB3 -0.46 -0.03 0.05 -0.04 3.93 3.45 2dv6A1 HIS 339 H -0.33 0.55 0.08 -0.55 8.41 8.15 2dv6A1 HIS 339 HA 0.10 0.14 0.41 -0.75 4.63 4.53 2dv6A1 HIS 339 HB2 0.10 -0.03 0.16 -0.04 3.26 3.45 2dv6A1 HIS 339 HB3 0.09 0.04 0.15 -0.04 3.20 3.43 2dv6A1 HIS 339 HD2 0.05 0.02 -0.13 -0.04 6.97 6.86 2dv6A1 HIS 339 HE1 0.02 0.05 -0.24 -0.04 7.75 7.54 2dv6A1 PRO 340 HA -0.03 0.14 0.55 -0.51 4.44 4.58 2dv6A1 PRO 340 HB2 -0.35 0.09 0.01 -0.04 2.28 1.98 2dv6A1 PRO 340 HB3 0.01 0.02 0.13 -0.04 2.02 2.14 2dv6A1 PRO 340 HG2 -0.38 -0.04 -0.07 -0.04 2.03 1.50 2dv6A1 PRO 340 HG3 0.02 0.09 -0.01 -0.04 2.03 2.08 2dv6A1 PRO 340 HD2 0.16 0.12 -0.10 -0.04 3.68 3.81 2dv6A1 PRO 340 HD3 0.05 0.14 -0.49 -0.04 3.65 3.30 2dv6A1 LEU 341 H -0.16 0.50 0.42 -0.55 8.37 8.59 2dv6A1 LEU 341 HA -0.09 0.11 0.81 -0.75 4.35 4.42 2dv6A1 LEU 341 HB2 -0.37 -0.03 0.23 -0.04 1.64 1.42 2dv6A1 LEU 341 HB3 -1.12 -0.01 -0.02 -0.04 1.64 0.45 2dv6A1 LEU 341 HG -0.51 0.03 -0.00 -0.04 1.64 1.11 2dv6A1 LEU 341 HD13 -0.12 0.01 0.02 -0.04 0.93 0.80 2dv6A1 LEU 341 HD23 -0.74 -0.02 -0.13 -0.04 0.89 -0.04 2dv6A1 TYR 342 H 0.28 0.26 0.13 -0.55 8.29 8.40 2dv6A1 TYR 342 HA 0.09 0.27 0.90 -0.75 4.56 5.07 2dv6A1 TYR 342 HB2 0.15 -0.03 0.09 -0.04 3.06 3.23 2dv6A1 TYR 342 HB3 0.10 0.00 0.00 -0.04 2.98 3.04 2dv6A1 TYR 342 HD2 0.09 0.04 -0.03 -0.04 7.15 7.22 2dv6A1 TYR 342 HE2 0.08 -0.01 -0.05 -0.04 6.85 6.82 2dv6A1 ALA 343 H 0.21 0.54 0.18 -0.55 8.40 8.79 2dv6A1 ALA 343 HA 0.20 0.13 0.40 -0.75 4.34 4.32 2dv6A1 ALA 343 HB3 0.20 -0.00 -0.06 -0.04 1.41 1.50 2dv6A1 SER 344 H 0.08 0.17 0.13 -0.55 8.46 8.30 2dv6A1 SER 344 HA 0.08 0.15 0.97 -0.75 4.49 4.94 2dv6A1 SER 344 HB2 0.04 -0.00 0.01 -0.04 3.95 3.96 2dv6A1 SER 344 HB3 0.04 0.04 0.07 -0.04 3.93 4.04 2dv6A1 VAL 345 H 0.06 0.15 0.10 -0.55 8.24 8.00 2dv6A1 VAL 345 HA 0.05 0.13 0.34 -0.75 4.13 3.90 2dv6A1 VAL 345 HB 0.07 -0.03 -0.24 -0.04 2.12 1.88 2dv6A1 VAL 345 HG13 0.05 -0.01 0.05 -0.04 0.97 1.02 2dv6A1 VAL 345 HG23 0.04 0.00 -0.12 -0.04 0.95 0.83 2dv6A1 GLY 346 H 0.03 0.83 0.27 -0.55 8.43 9.01 2dv6A1 GLY 346 HA2 0.02 -0.03 0.31 -0.51 4.01 3.80 2dv6A1 GLY 346 HA3 0.02 0.06 0.55 -0.51 4.01 4.12 2dv6A1 GLU 347 H 0.02 0.48 -0.27 -0.55 8.60 8.29 2dv6A1 GLU 347 HA -0.01 0.05 0.69 -0.75 4.29 4.27 2dv6A1 GLU 347 HB2 0.01 0.08 0.13 -0.04 2.09 2.27 2dv6A1 GLU 347 HB3 -0.02 0.02 -0.03 -0.04 1.99 1.92 2dv6A1 GLU 347 HG2 -0.00 0.01 0.02 -0.04 2.34 2.33 2dv6A1 GLU 347 HG3 0.02 0.07 -0.06 -0.04 2.34 2.33 2dv6A1 THR 348 H -0.03 0.15 0.26 -0.55 8.28 8.11 2dv6A1 THR 348 HA -0.08 0.17 0.87 -0.75 4.39 4.60 2dv6A1 THR 348 HB -0.03 -0.08 0.22 -0.04 4.32 4.39 2dv6A1 THR 348 HG23 -0.01 0.01 -0.18 -0.04 1.22 0.99 2dv6A1 VAL 349 H -0.30 0.65 0.28 -0.55 8.24 8.32 2dv6A1 VAL 349 HA -0.15 0.27 0.88 -0.75 4.13 4.37 2dv6A1 VAL 349 HB -0.54 0.08 0.01 -0.04 2.12 1.63 2dv6A1 VAL 349 HG13 -0.25 -0.01 -0.29 -0.04 0.97 0.37 2dv6A1 VAL 349 HG23 0.04 -0.01 -0.23 -0.04 0.95 0.70 2dv6A1 ARG 350 H -0.13 0.64 0.40 -0.55 8.46 8.82 2dv6A1 ARG 350 HA -0.10 0.31 1.13 -0.75 4.34 4.93 2dv6A1 ARG 350 HB2 -0.17 -0.01 -0.06 -0.04 1.90 1.62 2dv6A1 ARG 350 HB3 -0.21 0.03 0.14 -0.04 1.80 1.72 2dv6A1 ARG 350 HG2 -0.89 -0.05 -0.17 -0.04 1.67 0.52 2dv6A1 ARG 350 HG3 -0.56 0.07 -0.22 -0.04 1.67 0.92 2dv6A1 ARG 350 HD2 -0.64 -0.04 -0.13 -0.04 3.22 2.36 2dv6A1 ARG 350 HD3 -0.23 -0.01 -0.13 -0.04 3.22 2.80 2dv6A1 ILE 351 H 0.04 0.63 0.29 -0.55 8.25 8.65 2dv6A1 ILE 351 HA 0.19 0.15 0.90 -0.75 4.18 4.67 2dv6A1 ILE 351 HB 0.25 -0.07 0.03 -0.04 1.89 2.06 2dv6A1 ILE 351 HG12 0.31 0.05 -0.17 -0.04 1.49 1.64 2dv6A1 ILE 351 HG13 0.31 -0.05 -0.39 -0.04 1.21 1.04 2dv6A1 ILE 351 HG23 0.20 -0.01 -0.33 -0.04 0.93 0.75 2dv6A1 ILE 351 HD13 0.40 -0.01 -0.20 -0.04 0.88 1.03 2dv6A1 PHE 352 H 0.28 0.76 0.25 -0.55 8.34 9.08 2dv6A1 PHE 352 HA 0.12 0.14 0.92 -0.75 4.62 5.04 2dv6A1 PHE 352 HB2 0.30 0.04 0.27 -0.04 3.15 3.72 2dv6A1 PHE 352 HB3 0.29 -0.03 0.02 -0.04 3.06 3.31 2dv6A1 PHE 352 HD2 -0.02 0.10 -0.04 -0.04 7.28 7.28 2dv6A1 PHE 352 HE2 -0.10 0.00 -0.10 -0.04 7.38 7.13 2dv6A1 PHE 352 HZ -0.04 0.00 -0.10 -0.04 7.32 7.15 2dv6A1 PHE 353 H 0.20 0.62 0.23 -0.55 8.34 8.83 2dv6A1 PHE 353 HA -0.04 0.40 1.05 -0.75 4.62 5.27 2dv6A1 PHE 353 HB2 -0.56 -0.03 -0.19 -0.04 3.15 2.33 2dv6A1 PHE 353 HB3 -0.33 -0.06 -0.01 -0.04 3.06 2.62 2dv6A1 PHE 353 HD2 -0.34 -0.01 -0.20 -0.04 7.28 6.69 2dv6A1 PHE 353 HE2 0.08 -0.04 -0.23 -0.04 7.38 7.15 2dv6A1 PHE 353 HZ 0.22 -0.07 -0.16 -0.04 7.32 7.26 2dv6A1 GLY 354 H -0.49 0.57 0.42 -0.55 8.43 8.38 2dv6A1 GLY 354 HA2 -0.26 0.22 1.11 -0.51 4.01 4.57 2dv6A1 GLY 354 HA3 -0.15 0.02 0.25 -0.51 4.01 3.62 2dv6A1 VAL 355 H -0.17 0.74 0.25 -0.55 8.24 8.51 2dv6A1 VAL 355 HA -0.23 0.06 1.08 -0.75 4.13 4.28 2dv6A1 VAL 355 HB -0.04 0.22 -0.05 -0.04 2.12 2.22 2dv6A1 VAL 355 HG13 0.01 0.02 -0.16 -0.04 0.97 0.80 2dv6A1 VAL 355 HG23 -0.01 -0.02 -0.18 -0.04 0.95 0.70 2dv6A1 GLY 356 H -0.41 0.33 0.16 -0.55 8.43 7.97 2dv6A1 GLY 356 HA2 -0.29 0.06 0.63 -0.51 4.01 3.90 2dv6A1 GLY 356 HA3 -1.28 0.07 0.28 -0.51 4.01 2.57 2dv6A1 GLY 357 H -0.30 0.37 0.15 -0.55 8.43 8.10 2dv6A1 GLY 357 HA2 0.00 -0.02 0.21 -0.51 4.01 3.69 2dv6A1 GLY 357 HA3 -0.05 0.16 0.40 -0.51 4.01 4.01 2dv6A1 PRO 358 HA -0.05 0.36 0.41 -0.51 4.44 4.65 2dv6A1 PRO 358 HB2 -0.03 0.02 0.03 -0.04 2.28 2.27 2dv6A1 PRO 358 HB3 -0.01 0.01 0.14 -0.04 2.02 2.12 2dv6A1 PRO 358 HG2 0.05 0.02 0.06 -0.04 2.03 2.12 2dv6A1 PRO 358 HG3 0.01 0.12 0.15 -0.04 2.03 2.27 2dv6A1 PRO 358 HD2 0.24 0.06 0.17 -0.04 3.68 4.11 2dv6A1 PRO 358 HD3 0.09 0.15 0.28 -0.04 3.65 4.13 2dv6A1 ASN 359 H 0.14 -0.01 0.04 -0.55 8.53 8.16 2dv6A1 ASN 359 HA -0.07 0.29 0.77 -0.75 4.76 5.00 2dv6A1 ASN 359 HB2 0.10 -0.02 -0.00 -0.04 2.88 2.92 2dv6A1 ASN 359 HB3 -0.35 0.04 -0.03 -0.04 2.79 2.41 2dv6A1 ASN 359 HD21 -0.16 0.06 -0.03 -0.04 7.03 6.86 2dv6A1 ASN 359 HD22 0.09 -0.02 -0.02 -0.04 7.74 7.75 2dv6A1 PHE 360 H 0.29 -0.02 0.05 -0.55 8.34 8.11 2dv6A1 PHE 360 HA 0.07 0.18 0.62 -0.75 4.62 4.74 2dv6A1 PHE 360 HB2 0.26 -0.06 -0.02 -0.04 3.15 3.29 2dv6A1 PHE 360 HB3 0.16 0.11 -0.13 -0.04 3.06 3.16 2dv6A1 PHE 360 HD2 0.08 -0.08 -0.05 -0.04 7.28 7.19 2dv6A1 PHE 360 HE2 0.10 -0.02 -0.08 -0.04 7.38 7.34 2dv6A1 PHE 360 HZ 0.08 0.35 -0.02 -0.04 7.32 7.69 2dv6A1 THR 361 H 0.10 0.15 0.16 -0.55 8.28 8.14 2dv6A1 THR 361 HA 0.12 0.24 0.74 -0.75 4.39 4.73 2dv6A1 THR 361 HB 0.09 -0.05 0.13 -0.04 4.32 4.45 2dv6A1 THR 361 HG23 0.09 -0.01 -0.24 -0.04 1.22 1.02 2dv6A1 SER 362 H 0.20 0.59 0.24 -0.55 8.46 8.95 2dv6A1 SER 362 HA 0.18 0.08 0.74 -0.75 4.49 4.73 2dv6A1 SER 362 HB2 0.36 0.05 -0.01 -0.04 3.95 4.31 2dv6A1 SER 362 HB3 0.47 0.05 0.06 -0.04 3.93 4.47 2dv6A1 SER 363 H 0.15 0.04 0.00 -0.55 8.46 8.11 2dv6A1 SER 363 HA 0.15 0.27 0.69 -0.75 4.49 4.85 2dv6A1 SER 363 HB2 0.11 -0.28 0.07 -0.04 3.95 3.82 2dv6A1 SER 363 HB3 0.08 0.08 -0.07 -0.04 3.93 3.98 2dv6A1 PHE 364 H 0.28 0.76 0.06 -0.55 8.34 8.88 2dv6A1 PHE 364 HA -0.02 0.16 0.31 -0.75 4.62 4.32 2dv6A1 PHE 364 HB2 -0.42 -0.03 -0.05 -0.04 3.15 2.60 2dv6A1 PHE 364 HB3 -0.14 -0.01 0.06 -0.04 3.06 2.93 2dv6A1 PHE 364 HD2 -0.42 -0.02 -0.17 -0.04 7.28 6.62 2dv6A1 PHE 364 HE2 -0.34 -0.02 -0.19 -0.04 7.38 6.78 2dv6A1 PHE 364 HZ -0.16 0.00 -0.19 -0.04 7.32 6.93 2dv6A1 HIS 365 H -0.40 0.54 0.37 -0.55 8.41 8.37 2dv6A1 HIS 365 HA -0.21 0.23 0.86 -0.75 4.63 4.76 2dv6A1 HIS 365 HB2 -0.00 -0.02 -0.22 -0.04 3.26 2.98 2dv6A1 HIS 365 HB3 -0.02 -0.05 -0.01 -0.04 3.20 3.07 2dv6A1 HIS 365 HD2 -0.02 -0.05 -0.20 -0.04 6.97 6.65 2dv6A1 HIS 365 HE1 -0.19 -0.01 0.02 -0.04 7.75 7.53 2dv6A1 VAL 366 H -1.02 0.28 0.05 -0.55 8.24 6.99 2dv6A1 VAL 366 HA -0.42 0.28 0.87 -0.75 4.13 4.11 2dv6A1 VAL 366 HB -0.75 -0.02 -0.07 -0.04 2.12 1.24 2dv6A1 VAL 366 HG13 -0.19 0.00 -0.34 -0.04 0.97 0.40 2dv6A1 VAL 366 HG23 -0.20 -0.01 -0.25 -0.04 0.95 0.45 2dv6A1 ILE 367 H -0.21 0.72 0.19 -0.55 8.25 8.39 2dv6A1 ILE 367 HA -0.11 0.02 0.42 -0.75 4.18 3.76 2dv6A1 ILE 367 HB -0.03 -0.06 0.22 -0.04 1.89 1.98 2dv6A1 ILE 367 HG12 0.20 -0.04 -0.01 -0.04 1.49 1.60 2dv6A1 ILE 367 HG13 0.02 0.18 0.05 -0.04 1.21 1.43 2dv6A1 ILE 367 HG23 0.00 0.01 -0.07 -0.04 0.93 0.83 2dv6A1 ILE 367 HD13 -0.01 -0.01 -0.03 -0.04 0.88 0.80 2dv6A1 GLY 368 H -0.04 0.15 0.22 -0.55 8.43 8.21 2dv6A1 GLY 368 HA2 0.02 -0.01 0.31 -0.51 4.01 3.82 2dv6A1 GLY 368 HA3 0.10 0.14 0.53 -0.51 4.01 4.28 2dv6A1 GLU 369 H -0.25 0.48 -0.15 -0.55 8.60 8.13 2dv6A1 GLU 369 HA -0.18 0.15 0.69 -0.75 4.29 4.19 2dv6A1 GLU 369 HB2 -0.47 -0.02 -0.27 -0.04 2.09 1.29 2dv6A1 GLU 369 HB3 -0.73 -0.01 -0.12 -0.04 1.99 1.08 2dv6A1 GLU 369 HG2 -0.60 0.13 -0.17 -0.04 2.34 1.66 2dv6A1 GLU 369 HG3 -0.46 -0.03 -0.15 -0.04 2.34 1.65 2dv6A1 ILE 370 H -0.32 0.25 0.12 -0.55 8.25 7.76 2dv6A1 ILE 370 HA -0.47 0.19 0.79 -0.75 4.18 3.94 2dv6A1 ILE 370 HB -0.12 -0.03 -0.03 -0.04 1.89 1.67 2dv6A1 ILE 370 HG12 -0.14 0.06 -0.20 -0.04 1.49 1.17 2dv6A1 ILE 370 HG13 -0.15 -0.11 -0.52 -0.04 1.21 0.39 2dv6A1 ILE 370 HG23 -0.10 0.01 -0.28 -0.04 0.93 0.52 2dv6A1 ILE 370 HD13 -0.07 0.00 -0.11 -0.04 0.88 0.67 2dv6A1 PHE 371 H -0.51 0.57 0.18 -0.55 8.34 8.03 2dv6A1 PHE 371 HA -0.03 0.08 0.71 -0.75 4.62 4.63 2dv6A1 PHE 371 HB2 -0.02 -0.04 0.04 -0.04 3.15 3.09 2dv6A1 PHE 371 HB3 0.06 0.07 -0.07 -0.04 3.06 3.08 2dv6A1 PHE 371 HD2 -0.11 -0.03 -0.29 -0.04 7.28 6.82 2dv6A1 PHE 371 HE2 -0.20 0.04 -0.18 -0.04 7.38 7.00 2dv6A1 PHE 371 HZ -0.64 -0.08 -0.31 -0.04 7.32 6.24 2dv6A1 ASP 372 H 0.22 0.34 0.48 -0.55 8.40 8.89 2dv6A1 ASP 372 HA -0.09 -0.00 0.60 -0.75 4.63 4.38 2dv6A1 ASP 372 HB2 0.08 0.10 0.16 -0.04 2.71 3.01 2dv6A1 ASP 372 HB3 -0.21 0.01 0.07 -0.04 2.70 2.52 2dv6A1 HIS 373 H 0.15 0.42 0.21 -0.55 8.41 8.65 2dv6A1 HIS 373 HA -0.01 0.49 0.97 -0.75 4.63 5.32 2dv6A1 HIS 373 HB2 0.06 -0.10 0.03 -0.04 3.26 3.22 2dv6A1 HIS 373 HB3 -0.21 0.04 -0.07 -0.04 3.20 2.92 2dv6A1 HIS 373 HD2 0.06 -0.06 -0.13 -0.04 6.97 6.79 2dv6A1 HIS 373 HE1 -0.01 -0.01 -0.07 -0.04 7.75 7.62 2dv6A1 VAL 374 H -0.00 0.67 0.23 -0.55 8.24 8.59 2dv6A1 VAL 374 HA 0.05 0.28 1.02 -0.75 4.13 4.72 2dv6A1 VAL 374 HB 0.04 -0.04 0.05 -0.04 2.12 2.13 2dv6A1 VAL 374 HG13 0.04 -0.02 -0.22 -0.04 0.97 0.73 2dv6A1 VAL 374 HG23 0.06 -0.00 -0.24 -0.04 0.95 0.73 2dv6A1 TYR 375 H 0.25 0.64 0.25 -0.55 8.29 8.89 2dv6A1 TYR 375 HA 0.04 0.15 0.74 -0.75 4.56 4.73 2dv6A1 TYR 375 HB2 0.02 -0.26 0.25 -0.04 3.06 3.04 2dv6A1 TYR 375 HB3 0.02 0.24 -0.03 -0.04 2.98 3.17 2dv6A1 TYR 375 HD2 0.01 0.24 -0.00 -0.04 7.15 7.37 2dv6A1 TYR 375 HE2 -0.01 0.03 -0.09 -0.04 6.85 6.74 2dv6A1 SER 376 H 0.02 0.24 0.18 -0.55 8.46 8.35 2dv6A1 SER 376 HA 0.06 -0.02 0.25 -0.75 4.49 4.03 2dv6A1 SER 376 HB2 0.04 0.01 0.01 -0.04 3.95 3.97 2dv6A1 SER 376 HB3 0.04 -0.00 0.09 -0.04 3.93 4.02 2dv6A1 LEU 377 H 0.07 0.15 0.25 -0.55 8.37 8.29 2dv6A1 LEU 377 HA 0.07 0.05 0.44 -0.75 4.35 4.15 2dv6A1 LEU 377 HB2 0.05 0.08 -0.08 -0.04 1.64 1.65 2dv6A1 LEU 377 HB3 0.05 0.03 0.24 -0.04 1.64 1.92 2dv6A1 LEU 377 HG 0.05 -0.08 -0.07 -0.04 1.64 1.50 2dv6A1 LEU 377 HD13 0.04 0.00 0.01 -0.04 0.93 0.94 2dv6A1 LEU 377 HD23 0.06 0.01 0.10 -0.04 0.89 1.02 2dv6A1 GLY 378 H 0.09 0.37 -0.29 -0.55 8.43 8.05 2dv6A1 GLY 378 HA2 0.06 -0.10 0.32 -0.51 4.01 3.77 2dv6A1 GLY 378 HA3 -0.01 0.15 0.63 -0.51 4.01 4.27 2dv6A1 SER 379 H 0.07 0.52 -0.28 -0.55 8.46 8.23 2dv6A1 SER 379 HA 0.03 0.03 0.55 -0.75 4.49 4.35 2dv6A1 SER 379 HB2 0.05 0.05 0.09 -0.04 3.95 4.10 2dv6A1 SER 379 HB3 0.08 0.09 0.08 -0.04 3.93 4.14 2dv6A1 VAL 380 H 0.04 0.15 0.20 -0.55 8.24 8.09 2dv6A1 VAL 380 HA 0.17 0.17 0.59 -0.75 4.13 4.31 2dv6A1 VAL 380 HB -0.02 0.02 -0.07 -0.04 2.12 2.02 2dv6A1 VAL 380 HG13 0.01 0.01 -0.11 -0.04 0.97 0.84 2dv6A1 VAL 380 HG23 -0.13 0.02 -0.17 -0.04 0.95 0.63 2dv6A1 VAL 381 H 0.07 -0.08 0.03 -0.55 8.24 7.71 2dv6A1 VAL 381 HA 0.06 0.16 0.66 -0.75 4.13 4.26 2dv6A1 VAL 381 HB 0.05 -0.04 0.09 -0.04 2.12 2.18 2dv6A1 VAL 381 HG13 0.04 -0.00 -0.05 -0.04 0.97 0.91 2dv6A1 VAL 381 HG23 0.05 -0.00 -0.01 -0.04 0.95 0.95 2dv6A1 SER 382 H 0.07 -0.07 -0.11 -0.55 8.46 7.80 2dv6A1 SER 382 HA 0.03 0.10 0.48 -0.75 4.49 4.34 2dv6A1 SER 382 HB2 0.04 -0.00 -0.05 -0.04 3.95 3.89 2dv6A1 SER 382 HB3 0.02 0.08 0.04 -0.04 3.93 4.04 2dv6A1 PRO 383 HA -0.03 0.13 0.48 -0.51 4.44 4.51 2dv6A1 PRO 383 HB2 -0.01 0.04 0.04 -0.04 2.28 2.31 2dv6A1 PRO 383 HB3 -0.01 0.01 0.10 -0.04 2.02 2.08 2dv6A1 PRO 383 HG2 0.01 -0.02 0.09 -0.04 2.03 2.07 2dv6A1 PRO 383 HG3 0.01 0.04 0.09 -0.04 2.03 2.13 2dv6A1 PRO 383 HD2 0.01 0.04 0.18 -0.04 3.68 3.87 2dv6A1 PRO 383 HD3 0.02 0.10 0.22 -0.04 3.65 3.95 2dv6A1 PRO 384 HA -0.23 0.01 0.53 -0.51 4.44 4.24 2dv6A1 PRO 384 HB2 -0.27 -0.02 -0.06 -0.04 2.28 1.90 2dv6A1 PRO 384 HB3 -1.35 -0.02 -0.14 -0.04 2.02 0.47 2dv6A1 PRO 384 HG2 -0.17 -0.00 -0.00 -0.04 2.03 1.81 2dv6A1 PRO 384 HG3 -0.62 0.01 -0.01 -0.04 2.03 1.38 2dv6A1 PRO 384 HD2 -0.14 0.02 0.20 -0.04 3.68 3.72 2dv6A1 PRO 384 HD3 -0.27 0.24 0.15 -0.04 3.65 3.73 2dv6A1 LEU 385 H -0.06 0.43 0.40 -0.55 8.37 8.59 2dv6A1 LEU 385 HA -0.00 0.12 0.73 -0.75 4.35 4.44 2dv6A1 LEU 385 HB2 0.01 -0.07 0.12 -0.04 1.64 1.66 2dv6A1 LEU 385 HB3 0.01 0.03 0.02 -0.04 1.64 1.66 2dv6A1 LEU 385 HG 0.00 -0.01 0.14 -0.04 1.64 1.73 2dv6A1 LEU 385 HD13 0.03 -0.01 0.03 -0.04 0.93 0.93 2dv6A1 LEU 385 HD23 0.01 0.02 0.05 -0.04 0.89 0.93 2dv6A1 ILE 386 H -0.00 0.14 0.16 -0.55 8.25 8.00 2dv6A1 ILE 386 HA -0.11 0.44 1.02 -0.75 4.18 4.78 2dv6A1 ILE 386 HB -0.02 -0.06 0.12 -0.04 1.89 1.89 2dv6A1 ILE 386 HG12 0.01 0.02 -0.06 -0.04 1.49 1.42 2dv6A1 ILE 386 HG13 0.04 0.01 -0.37 -0.04 1.21 0.85 2dv6A1 ILE 386 HG23 -0.10 0.01 -0.04 -0.04 0.93 0.75 2dv6A1 ILE 386 HD13 0.03 -0.02 0.00 -0.04 0.88 0.86 2dv6A1 GLY 387 H -0.08 0.46 0.23 -0.55 8.43 8.50 2dv6A1 GLY 387 HA2 -0.04 0.05 0.34 -0.51 4.01 3.86 2dv6A1 GLY 387 HA3 -0.04 -0.02 0.34 -0.51 4.01 3.78 2dv6A1 VAL 388 H 0.05 0.61 0.13 -0.55 8.24 8.48 2dv6A1 VAL 388 HA 0.02 0.15 0.82 -0.75 4.13 4.37 2dv6A1 VAL 388 HB 0.19 -0.01 -0.14 -0.04 2.12 2.12 2dv6A1 VAL 388 HG13 0.15 -0.04 -0.23 -0.04 0.97 0.81 2dv6A1 VAL 388 HG23 0.05 0.00 -0.43 -0.04 0.95 0.53 2dv6A1 GLN 389 H -0.00 0.16 0.15 -0.55 8.47 8.23 2dv6A1 GLN 389 HA -0.18 0.10 0.63 -0.75 4.36 4.15 2dv6A1 GLN 389 HB2 -0.03 0.02 0.05 -0.04 2.15 2.15 2dv6A1 GLN 389 HB3 -0.06 0.01 0.08 -0.04 2.02 2.02 2dv6A1 GLN 389 HG2 -0.03 -0.10 0.16 -0.04 2.40 2.39 2dv6A1 GLN 389 HG3 -0.12 0.01 -0.11 -0.04 2.39 2.13 2dv6A1 GLN 389 HE21 -0.06 0.00 0.02 -0.04 6.97 6.89 2dv6A1 GLN 389 HE22 -0.04 0.00 0.06 -0.04 7.69 7.67 2dv6A1 THR 390 H 0.08 0.14 0.02 -0.55 8.28 7.97 2dv6A1 THR 390 HA 0.31 0.37 0.81 -0.75 4.39 5.12 2dv6A1 THR 390 HB 0.13 0.15 -0.17 -0.04 4.32 4.40 2dv6A1 THR 390 HG23 -0.19 0.00 -0.33 -0.04 1.22 0.67 2dv6A1 VAL 391 H 0.26 0.60 0.13 -0.55 8.24 8.69 2dv6A1 VAL 391 HA 0.13 0.13 0.88 -0.75 4.13 4.51 2dv6A1 VAL 391 HB 0.12 -0.00 -0.16 -0.04 2.12 2.04 2dv6A1 VAL 391 HG13 0.15 0.01 -0.08 -0.04 0.97 1.01 2dv6A1 VAL 391 HG23 0.10 0.02 -0.17 -0.04 0.95 0.87 2dv6A1 SER 392 H 0.10 0.14 0.10 -0.55 8.46 8.25 2dv6A1 SER 392 HA 0.14 0.31 0.86 -0.75 4.49 5.05 2dv6A1 SER 392 HB2 0.08 -0.03 0.08 -0.04 3.95 4.04 2dv6A1 SER 392 HB3 0.09 0.02 -0.11 -0.04 3.93 3.89 2dv6A1 VAL 393 H 0.19 0.57 0.19 -0.55 8.24 8.64 2dv6A1 VAL 393 HA 0.13 0.18 0.75 -0.75 4.13 4.44 2dv6A1 VAL 393 HB 0.36 -0.11 0.02 -0.04 2.12 2.35 2dv6A1 VAL 393 HG13 0.06 0.05 -0.34 -0.04 0.97 0.70 2dv6A1 VAL 393 HG23 0.34 0.02 -0.36 -0.04 0.95 0.90 2dv6A1 PRO 394 HA 0.07 0.02 0.44 -0.51 4.44 4.46 2dv6A1 PRO 394 HB2 0.04 0.22 -0.04 -0.04 2.28 2.47 2dv6A1 PRO 394 HB3 0.05 -0.05 0.03 -0.04 2.02 2.01 2dv6A1 PRO 394 HG2 0.07 0.06 -0.11 -0.04 2.03 2.00 2dv6A1 PRO 394 HG3 0.06 0.03 0.01 -0.04 2.03 2.09 2dv6A1 PRO 394 HD2 0.08 0.06 0.13 -0.04 3.68 3.91 2dv6A1 PRO 394 HD3 0.08 0.13 0.04 -0.04 3.65 3.86 2dv6A1 PRO 395 HA -0.01 0.08 0.35 -0.51 4.44 4.35 2dv6A1 PRO 395 HB2 -0.02 0.20 -0.17 -0.04 2.28 2.25 2dv6A1 PRO 395 HB3 0.00 -0.18 -0.38 -0.04 2.02 1.42 2dv6A1 PRO 395 HG2 -0.01 0.03 -0.01 -0.04 2.03 2.00 2dv6A1 PRO 395 HG3 -0.02 0.13 -0.33 -0.04 2.03 1.77 2dv6A1 PRO 395 HD2 0.03 0.03 0.09 -0.04 3.68 3.79 2dv6A1 PRO 395 HD3 0.05 0.06 -0.38 -0.04 3.65 3.33 2dv6A1 GLY 396 H -0.02 0.68 0.29 -0.55 8.43 8.83 2dv6A1 GLY 396 HA2 0.09 -0.03 0.36 -0.51 4.01 3.92 2dv6A1 GLY 396 HA3 0.21 0.02 0.46 -0.51 4.01 4.19 2dv6A1 GLY 397 H 0.04 0.36 -0.06 -0.55 8.43 8.22 2dv6A1 GLY 397 HA2 0.12 0.15 0.82 -0.51 4.01 4.59 2dv6A1 GLY 397 HA3 0.08 0.03 0.25 -0.51 4.01 3.85 2dv6A1 ALA 398 H 0.05 0.35 0.21 -0.55 8.40 8.47 2dv6A1 ALA 398 HA -0.03 0.16 0.85 -0.75 4.34 4.57 2dv6A1 ALA 398 HB3 0.01 0.07 -0.13 -0.04 1.41 1.32 2dv6A1 THR 399 H 0.09 0.69 0.34 -0.55 8.28 8.86 2dv6A1 THR 399 HA 0.10 0.11 0.48 -0.75 4.39 4.33 2dv6A1 THR 399 HB 0.11 0.05 0.02 -0.04 4.32 4.46 2dv6A1 THR 399 HG23 0.16 -0.01 -0.19 -0.04 1.22 1.13 2dv6A1 ILE 400 H 0.15 0.22 0.24 -0.55 8.25 8.31 2dv6A1 ILE 400 HA -0.04 0.31 0.99 -0.75 4.18 4.68 2dv6A1 ILE 400 HB -0.15 -0.05 0.10 -0.04 1.89 1.75 2dv6A1 ILE 400 HG12 -0.04 0.06 -0.07 -0.04 1.49 1.39 2dv6A1 ILE 400 HG13 0.07 -0.10 -0.43 -0.04 1.21 0.71 2dv6A1 ILE 400 HG23 -0.32 0.01 -0.19 -0.04 0.93 0.39 2dv6A1 ILE 400 HD13 -0.17 0.01 -0.13 -0.04 0.88 0.55 2dv6A1 VAL 401 H -0.01 0.61 0.33 -0.55 8.24 8.61 2dv6A1 VAL 401 HA 0.07 0.38 0.94 -0.75 4.13 4.77 2dv6A1 VAL 401 HB -0.44 0.01 0.06 -0.04 2.12 1.71 2dv6A1 VAL 401 HG13 -0.53 -0.02 -0.16 -0.04 0.97 0.23 2dv6A1 VAL 401 HG23 0.05 0.01 -0.05 -0.04 0.95 0.92 2dv6A1 ASP 402 H 0.25 0.52 0.34 -0.55 8.40 8.96 2dv6A1 ASP 402 HA 0.05 0.42 1.09 -0.75 4.63 5.44 2dv6A1 ASP 402 HB2 0.28 -0.11 0.08 -0.04 2.71 2.93 2dv6A1 ASP 402 HB3 0.12 0.00 -0.03 -0.04 2.70 2.76 2dv6A1 PHE 403 H -0.26 0.65 0.33 -0.55 8.34 8.51 2dv6A1 PHE 403 HA 0.05 -0.03 0.59 -0.75 4.62 4.48 2dv6A1 PHE 403 HB2 -0.02 0.15 0.10 -0.04 3.15 3.34 2dv6A1 PHE 403 HB3 0.10 -0.05 0.25 -0.04 3.06 3.33 2dv6A1 PHE 403 HD2 0.07 -0.01 -0.48 -0.04 7.28 6.82 2dv6A1 PHE 403 HE2 0.02 0.01 -0.25 -0.04 7.38 7.11 2dv6A1 PHE 403 HZ 0.03 0.00 -0.24 -0.04 7.32 7.07 2dv6A1 LYS 404 H 0.11 0.13 0.19 -0.55 8.42 8.30 2dv6A1 LYS 404 HA -0.02 0.21 0.91 -0.75 4.32 4.67 2dv6A1 LYS 404 HB2 0.03 -0.01 0.07 -0.04 1.87 1.91 2dv6A1 LYS 404 HB3 0.04 -0.04 0.12 -0.04 1.79 1.87 2dv6A1 LYS 404 HG2 0.02 -0.07 -0.48 -0.04 1.46 0.89 2dv6A1 LYS 404 HG3 0.01 0.14 -0.30 -0.04 1.46 1.26 2dv6A1 LYS 404 HD2 0.02 0.01 -0.05 -0.04 1.69 1.63 2dv6A1 LYS 404 HD3 0.02 -0.05 -0.05 -0.04 1.68 1.56 2dv6A1 LYS 404 HE2 0.02 -0.05 -0.07 -0.04 2.99 2.84 2dv6A1 LYS 404 HE3 0.02 0.04 -0.08 -0.04 2.99 2.93 2dv6A1 ILE 405 H -0.02 0.85 0.21 -0.55 8.25 8.74 2dv6A1 ILE 405 HA -0.01 0.10 0.80 -0.75 4.18 4.31 2dv6A1 ILE 405 HB -0.00 0.04 0.15 -0.04 1.89 2.04 2dv6A1 ILE 405 HG12 -0.03 0.00 -0.15 -0.04 1.49 1.27 2dv6A1 ILE 405 HG13 -0.10 0.04 -0.14 -0.04 1.21 0.97 2dv6A1 ILE 405 HG23 -0.02 -0.02 -0.20 -0.04 0.93 0.64 2dv6A1 ILE 405 HD13 -0.01 -0.01 -0.17 -0.04 0.88 0.65 2dv6A1 ASP 406 H 0.01 0.24 0.11 -0.55 8.40 8.22 2dv6A1 ASP 406 HA 0.03 0.05 0.28 -0.75 4.63 4.24 2dv6A1 ASP 406 HB2 0.03 0.04 0.01 -0.04 2.71 2.75 2dv6A1 ASP 406 HB3 0.03 -0.03 0.06 -0.04 2.70 2.72 2dv6A1 ARG 407 H 0.09 0.22 -0.12 -0.55 8.46 8.10 2dv6A1 ARG 407 HA 0.07 0.10 0.65 -0.75 4.34 4.41 2dv6A1 ARG 407 HB2 0.07 -0.00 0.08 -0.04 1.90 2.00 2dv6A1 ARG 407 HB3 0.06 0.01 -0.23 -0.04 1.80 1.60 2dv6A1 ARG 407 HG2 0.08 -0.09 -0.16 -0.04 1.67 1.46 2dv6A1 ARG 407 HG3 0.17 0.10 -0.21 -0.04 1.67 1.69 2dv6A1 ARG 407 HD2 0.05 -0.18 -0.07 -0.04 3.22 2.97 2dv6A1 ARG 407 HD3 0.05 -0.00 -0.12 -0.04 3.22 3.11 2dv6A1 ALA 408 H 0.07 0.11 0.04 -0.55 8.40 8.07 2dv6A1 ALA 408 HA 0.13 0.04 0.17 -0.75 4.34 3.93 2dv6A1 ALA 408 HB3 0.04 0.07 -0.25 -0.04 1.41 1.23 2dv6A1 GLY 409 H 0.04 0.68 0.31 -0.55 8.43 8.91 2dv6A1 GLY 409 HA2 -0.18 -0.02 0.24 -0.51 4.01 3.53 2dv6A1 GLY 409 HA3 -0.46 0.16 0.63 -0.51 4.01 3.82 2dv6A1 ARG 410 H -0.32 0.17 0.10 -0.55 8.46 7.86 2dv6A1 ARG 410 HA -0.17 0.17 0.98 -0.75 4.34 4.56 2dv6A1 ARG 410 HB2 -0.27 -0.01 0.07 -0.04 1.90 1.65 2dv6A1 ARG 410 HB3 -0.30 -0.03 0.19 -0.04 1.80 1.61 2dv6A1 ARG 410 HG2 -0.59 -0.02 -0.09 -0.04 1.67 0.93 2dv6A1 ARG 410 HG3 -0.33 0.12 -0.34 -0.04 1.67 1.07 2dv6A1 ARG 410 HD2 -0.79 -0.02 -0.07 -0.04 3.22 2.30 2dv6A1 ARG 410 HD3 -0.36 -0.03 -0.03 -0.04 3.22 2.76 2dv6A1 TYR 411 H 0.05 0.70 0.15 -0.55 8.29 8.63 2dv6A1 TYR 411 HA -0.07 0.24 0.74 -0.75 4.56 4.71 2dv6A1 TYR 411 HB2 -0.01 -0.03 0.01 -0.04 3.06 2.99 2dv6A1 TYR 411 HB3 -0.08 -0.04 -0.11 -0.04 2.98 2.70 2dv6A1 TYR 411 HD2 -0.05 0.13 -0.16 -0.04 7.15 7.02 2dv6A1 TYR 411 HE2 -0.02 0.15 -0.16 -0.04 6.85 6.78 2dv6A1 ILE 412 H 0.03 0.32 0.16 -0.55 8.25 8.21 2dv6A1 ILE 412 HA 0.19 0.37 1.11 -0.75 4.18 5.09 2dv6A1 ILE 412 HB 0.03 -0.12 0.13 -0.04 1.89 1.89 2dv6A1 ILE 412 HG12 0.12 0.06 -0.30 -0.04 1.49 1.32 2dv6A1 ILE 412 HG13 -0.03 0.04 -0.32 -0.04 1.21 0.86 2dv6A1 ILE 412 HG23 0.18 0.02 -0.09 -0.04 0.93 1.00 2dv6A1 ILE 412 HD13 -0.01 -0.02 -0.06 -0.04 0.88 0.75 2dv6A1 LEU 413 H 0.06 0.43 0.13 -0.55 8.37 8.43 2dv6A1 LEU 413 HA -0.18 0.19 0.75 -0.75 4.35 4.36 2dv6A1 LEU 413 HB2 -0.09 -0.10 0.07 -0.04 1.64 1.48 2dv6A1 LEU 413 HB3 -0.20 -0.00 -0.10 -0.04 1.64 1.31 2dv6A1 LEU 413 HG -0.01 0.01 -0.14 -0.04 1.64 1.46 2dv6A1 LEU 413 HD13 -0.02 -0.02 -0.34 -0.04 0.93 0.51 2dv6A1 LEU 413 HD23 -0.10 0.00 -0.14 -0.04 0.89 0.60 2dv6A1 VAL 414 H -0.08 0.56 0.35 -0.55 8.24 8.53 2dv6A1 VAL 414 HA 0.23 0.18 0.64 -0.75 4.13 4.43 2dv6A1 VAL 414 HB -0.04 0.08 -0.08 -0.04 2.12 2.03 2dv6A1 VAL 414 HG13 0.01 0.02 -0.26 -0.04 0.97 0.69 2dv6A1 VAL 414 HG23 0.01 0.00 -0.21 -0.04 0.95 0.72 2dv6A1 ASP 415 H 0.04 0.25 -0.01 -0.55 8.40 8.13 2dv6A1 ASP 415 HA 0.18 0.10 0.45 -0.75 4.63 4.61 2dv6A1 ASP 415 HB2 0.06 0.06 0.00 -0.04 2.71 2.79 2dv6A1 ASP 415 HB3 -0.13 0.06 0.08 -0.04 2.70 2.67 2dv6A1 HIS 416 H 0.16 0.73 0.09 -0.55 8.41 8.84 2dv6A1 HIS 416 HA -0.04 0.11 0.25 -0.75 4.63 4.19 2dv6A1 HIS 416 HB2 -0.04 0.18 0.01 -0.04 3.26 3.36 2dv6A1 HIS 416 HB3 -0.06 -0.04 0.00 -0.04 3.20 3.07 2dv6A1 HIS 416 HD2 -0.53 0.03 -0.09 -0.04 6.97 6.35 2dv6A1 HIS 416 HE1 -0.10 -0.01 0.02 -0.04 7.75 7.61 2dv6A1 ALA 417 H -0.00 0.00 -0.54 -0.55 8.40 7.32 2dv6A1 ALA 417 HA -0.02 0.12 0.71 -0.75 4.34 4.40 2dv6A1 ALA 417 HB3 -0.10 0.02 0.08 -0.04 1.41 1.36 2dv6A1 LEU 418 H -0.06 0.33 -0.13 -0.55 8.37 7.97 2dv6A1 LEU 418 HA -0.17 0.13 0.07 -0.75 4.35 3.62 2dv6A1 LEU 418 HB2 -0.11 0.05 0.09 -0.04 1.64 1.63 2dv6A1 LEU 418 HB3 -0.13 0.01 -0.00 -0.04 1.64 1.47 2dv6A1 LEU 418 HG -0.21 -0.01 0.02 -0.04 1.64 1.40 2dv6A1 LEU 418 HD13 -0.34 -0.02 -0.07 -0.04 0.93 0.46 2dv6A1 LEU 418 HD23 -0.44 0.02 0.01 -0.04 0.89 0.44 2dv6A1 SER 419 H -0.11 0.10 -0.26 -0.55 8.46 7.65 2dv6A1 SER 419 HA -0.10 0.08 0.62 -0.75 4.49 4.33 2dv6A1 SER 419 HB2 -0.11 0.01 -0.04 -0.04 3.95 3.78 2dv6A1 SER 419 HB3 -0.04 0.04 -0.03 -0.04 3.93 3.87 2dv6A1 ARG 420 H -0.26 0.60 -0.15 -0.55 8.46 8.09 2dv6A1 ARG 420 HA -0.26 0.08 0.50 -0.75 4.34 3.90 2dv6A1 ARG 420 HB2 -0.44 0.13 0.06 -0.04 1.90 1.61 2dv6A1 ARG 420 HB3 -0.70 -0.06 0.02 -0.04 1.80 1.02 2dv6A1 ARG 420 HG2 -1.75 0.01 -0.07 -0.04 1.67 -0.18 2dv6A1 ARG 420 HG3 -0.62 -0.01 -0.01 -0.04 1.67 0.99 2dv6A1 ARG 420 HD2 -0.57 -0.05 -0.01 -0.04 3.22 2.55 2dv6A1 ARG 420 HD3 -1.82 -0.03 -0.07 -0.04 3.22 1.26 2dv6A1 LEU 421 H -0.19 0.35 -0.24 -0.55 8.37 7.74 2dv6A1 LEU 421 HA -0.15 0.20 0.40 -0.75 4.35 4.05 2dv6A1 LEU 421 HB2 -0.14 0.10 0.12 -0.04 1.64 1.68 2dv6A1 LEU 421 HB3 -0.11 -0.02 -0.02 -0.04 1.64 1.45 2dv6A1 LEU 421 HG -0.14 -0.03 0.11 -0.04 1.64 1.54 2dv6A1 LEU 421 HD13 -0.10 -0.01 0.00 -0.04 0.93 0.78 2dv6A1 LEU 421 HD23 -0.07 0.06 0.06 -0.04 0.89 0.90 2dv6A1 GLU 422 H -0.21 0.34 -0.40 -0.55 8.60 7.78 2dv6A1 GLU 422 HA -0.25 0.11 0.36 -0.75 4.29 3.76 2dv6A1 GLU 422 HB2 -0.31 0.09 0.04 -0.04 2.09 1.86 2dv6A1 GLU 422 HB3 -0.22 -0.02 0.07 -0.04 1.99 1.78 2dv6A1 GLU 422 HG2 -0.14 -0.03 -0.15 -0.04 2.34 1.98 2dv6A1 GLU 422 HG3 -0.15 0.06 0.04 -0.04 2.34 2.25 2dv6A1 HIS 423 H -0.33 0.30 -0.40 -0.55 8.41 7.44 2dv6A1 HIS 423 HA -2.00 0.19 0.91 -0.75 4.63 2.98 2dv6A1 HIS 423 HB2 -0.18 -0.01 0.09 -0.04 3.26 3.12 2dv6A1 HIS 423 HB3 -0.26 -0.14 0.13 -0.04 3.20 2.88 2dv6A1 HIS 423 HD2 -0.24 0.15 -0.14 -0.04 6.97 6.70 2dv6A1 HIS 423 HE1 -0.11 -0.06 0.05 -0.04 7.75 7.59 2dv6A1 GLY 424 H -0.36 0.29 -0.28 -0.55 8.43 7.53 2dv6A1 GLY 424 HA2 0.01 -0.05 0.31 -0.51 4.01 3.78 2dv6A1 GLY 424 HA3 0.08 0.11 0.69 -0.51 4.01 4.38 2dv6A1 LEU 425 H -0.18 0.35 0.06 -0.55 8.37 8.05 2dv6A1 LEU 425 HA -0.31 0.09 0.51 -0.75 4.35 3.88 2dv6A1 LEU 425 HB2 -0.23 0.13 -0.10 -0.04 1.64 1.40 2dv6A1 LEU 425 HB3 -0.29 -0.12 -0.06 -0.04 1.64 1.12 2dv6A1 LEU 425 HG -0.19 -0.04 -0.44 -0.04 1.64 0.93 2dv6A1 LEU 425 HD13 -0.26 -0.06 -0.14 -0.04 0.93 0.42 2dv6A1 LEU 425 HD23 -1.26 0.00 -0.41 -0.04 0.89 -0.82 2dv6A1 VAL 426 H -0.06 0.33 0.24 -0.55 8.24 8.20 2dv6A1 VAL 426 HA 0.14 0.30 0.78 -0.75 4.13 4.59 2dv6A1 VAL 426 HB -0.05 0.07 -0.28 -0.04 2.12 1.82 2dv6A1 VAL 426 HG13 -0.12 -0.02 -0.11 -0.04 0.97 0.67 2dv6A1 VAL 426 HG23 -0.02 0.01 -0.05 -0.04 0.95 0.85 2dv6A1 GLY 427 H 0.19 0.60 0.31 -0.55 8.43 8.99 2dv6A1 GLY 427 HA2 -0.15 0.05 0.31 -0.51 4.01 3.71 2dv6A1 GLY 427 HA3 0.03 0.00 0.37 -0.51 4.01 3.90 2dv6A1 PHE 428 H -0.08 0.84 0.34 -0.55 8.34 8.88 2dv6A1 PHE 428 HA -0.04 0.28 1.07 -0.75 4.62 5.18 2dv6A1 PHE 428 HB2 -0.08 0.09 0.26 -0.04 3.15 3.38 2dv6A1 PHE 428 HB3 -0.08 -0.00 0.00 -0.04 3.06 2.94 2dv6A1 PHE 428 HD2 -0.02 0.16 -0.05 -0.04 7.28 7.33 2dv6A1 PHE 428 HE2 0.01 -0.01 -0.12 -0.04 7.38 7.22 2dv6A1 PHE 428 HZ 0.01 -0.00 -0.40 -0.04 7.32 6.89 2dv6A1 LEU 429 H 0.12 0.96 0.26 -0.55 8.37 9.16 2dv6A1 LEU 429 HA -0.12 0.19 0.69 -0.75 4.35 4.36 2dv6A1 LEU 429 HB2 -0.07 -0.02 -0.08 -0.04 1.64 1.42 2dv6A1 LEU 429 HB3 0.12 -0.05 0.00 -0.04 1.64 1.67 2dv6A1 LEU 429 HG 0.15 -0.01 -0.32 -0.04 1.64 1.42 2dv6A1 LEU 429 HD13 -0.13 0.02 -0.41 -0.04 0.93 0.38 2dv6A1 LEU 429 HD23 0.11 -0.01 -0.22 -0.04 0.89 0.72 2dv6A1 ASN 430 H -0.16 0.90 0.19 -0.55 8.53 8.91 2dv6A1 ASN 430 HA -0.00 0.09 0.70 -0.75 4.76 4.79 2dv6A1 ASN 430 HB2 -0.22 0.06 0.20 -0.04 2.88 2.87 2dv6A1 ASN 430 HB3 0.10 -0.05 -0.01 -0.04 2.79 2.79 2dv6A1 ASN 430 HD21 -0.01 0.05 -0.01 -0.04 7.03 7.02 2dv6A1 ASN 430 HD22 -0.46 0.02 -0.03 -0.04 7.74 7.23 2dv6A1 VAL 431 H 0.08 0.71 0.34 -0.55 8.24 8.82 2dv6A1 VAL 431 HA 0.15 0.32 0.94 -0.75 4.13 4.79 2dv6A1 VAL 431 HB 0.29 -0.00 0.14 -0.04 2.12 2.51 2dv6A1 VAL 431 HG13 0.13 0.01 -0.34 -0.04 0.97 0.73 2dv6A1 VAL 431 HG23 0.19 -0.01 -0.38 -0.04 0.95 0.72 2dv6A1 ASP 432 H 0.10 0.22 0.17 -0.55 8.40 8.34 2dv6A1 ASP 432 HA 0.04 0.09 0.42 -0.75 4.63 4.43 2dv6A1 ASP 432 HB2 0.07 0.04 0.08 -0.04 2.71 2.86 2dv6A1 ASP 432 HB3 0.05 -0.01 0.07 -0.04 2.70 2.77 2dv6A1 GLY 433 H 0.02 0.20 0.21 -0.55 8.43 8.32 2dv6A1 GLY 433 HA2 0.02 0.00 0.33 -0.51 4.01 3.85 2dv6A1 GLY 433 HA3 0.03 0.15 0.66 -0.51 4.01 4.34 2dv6A1 PRO 434 HA 0.00 -0.00 0.41 -0.51 4.44 4.34 2dv6A1 PRO 434 HB2 0.01 0.15 0.02 -0.04 2.28 2.42 2dv6A1 PRO 434 HB3 0.01 -0.00 0.14 -0.04 2.02 2.12 2dv6A1 PRO 434 HG2 0.02 0.05 0.07 -0.04 2.03 2.12 2dv6A1 PRO 434 HG3 0.01 0.03 0.11 -0.04 2.03 2.15 2dv6A1 PRO 434 HD2 0.02 0.10 0.22 -0.04 3.68 3.99 2dv6A1 PRO 434 HD3 0.02 0.11 0.21 -0.04 3.65 3.94 2dv6A1 LYS 435 H -0.00 0.07 0.20 -0.55 8.42 8.14 2dv6A1 LYS 435 HA -0.02 0.13 0.44 -0.75 4.32 4.12 2dv6A1 LYS 435 HB2 -0.02 0.03 0.13 -0.04 1.87 1.97 2dv6A1 LYS 435 HB3 -0.01 -0.07 0.20 -0.04 1.79 1.87 2dv6A1 LYS 435 HG2 0.00 -0.05 -0.14 -0.04 1.46 1.23 2dv6A1 LYS 435 HG3 -0.01 0.05 -0.03 -0.04 1.46 1.43 2dv6A1 LYS 435 HD2 -0.02 0.00 0.03 -0.04 1.69 1.66 2dv6A1 LYS 435 HD3 -0.01 -0.04 -0.00 -0.04 1.68 1.59 2dv6A1 LYS 435 HE2 -0.03 0.01 -0.01 -0.04 2.99 2.92 2dv6A1 LYS 435 HE3 -0.05 0.03 0.01 -0.04 2.99 2.94 2dv6A1 ASN 436 H 0.01 0.01 -0.06 -0.55 8.53 7.95 2dv6A1 ASN 436 HA 0.06 0.31 0.96 -0.75 4.76 5.34 2dv6A1 ASN 436 HB2 0.01 -0.06 0.13 -0.04 2.88 2.93 2dv6A1 ASN 436 HB3 0.04 0.09 0.03 -0.04 2.79 2.91 2dv6A1 ASN 436 HD21 0.02 0.00 0.02 -0.04 7.03 7.03 2dv6A1 ASN 436 HD22 0.01 -0.00 0.04 -0.04 7.74 7.75 2dv6A1 ASP 437 H 0.10 0.76 0.33 -0.55 8.40 9.03 2dv6A1 ASP 437 HA 0.02 0.11 0.42 -0.75 4.63 4.42 2dv6A1 ASP 437 HB2 0.03 -0.15 0.23 -0.04 2.71 2.78 2dv6A1 ASP 437 HB3 0.03 0.17 -0.03 -0.04 2.70 2.83 2dv6A1 SER 438 H 0.04 0.15 0.14 -0.55 8.46 8.25 2dv6A1 SER 438 HA 0.13 0.16 0.32 -0.75 4.49 4.35 2dv6A1 SER 438 HB2 0.04 0.03 0.09 -0.04 3.95 4.08 2dv6A1 SER 438 HB3 0.03 -0.01 0.10 -0.04 3.93 4.00 2dv6A1 ILE 439 H 0.05 -0.01 -0.23 -0.55 8.25 7.51 2dv6A1 ILE 439 HA 0.03 0.13 0.68 -0.75 4.18 4.27 2dv6A1 ILE 439 HB 0.04 -0.01 0.00 -0.04 1.89 1.89 2dv6A1 ILE 439 HG12 0.02 0.02 -0.02 -0.04 1.49 1.48 2dv6A1 ILE 439 HG13 0.03 -0.10 -0.10 -0.04 1.21 0.99 2dv6A1 ILE 439 HG23 0.02 0.00 -0.09 -0.04 0.93 0.82 2dv6A1 ILE 439 HD13 0.03 -0.01 -0.06 -0.04 0.88 0.80 2dv6A1 MET 440 H 0.06 0.10 -0.16 -0.55 8.47 7.92 2dv6A1 MET 440 HA -0.06 0.10 0.44 -0.75 4.52 4.25 2dv6A1 MET 440 HB2 -0.01 0.08 -0.18 -0.04 2.15 2.00 2dv6A1 MET 440 HB3 0.00 0.01 -0.01 -0.04 2.03 1.99 2dv6A1 MET 440 HG2 -0.04 -0.01 -0.17 -0.04 2.63 2.37 2dv6A1 MET 440 HG3 -0.05 0.01 0.06 -0.04 2.56 2.53 2dv6A1 MET 440 HE3 -0.02 0.01 -0.01 -0.04 2.10 2.03 2dv6A1 HIS 441 H -0.22 0.31 0.13 -0.55 8.41 8.09 2dv6A1 HIS 441 HA -0.01 0.02 0.68 -0.75 4.63 4.57 2dv6A1 HIS 441 HB2 -0.00 -0.07 0.10 -0.04 3.26 3.24 2dv6A1 HIS 441 HB3 -0.00 0.14 -0.08 -0.04 3.20 3.21 2dv6A1 HIS 441 HD2 -0.00 0.07 -0.14 -0.04 6.97 6.85 2dv6A1 HIS 441 HE1 -0.00 0.35 -0.27 -0.04 7.75 7.78 2dv6A1 GLU 442 H 0.09 0.04 0.11 -0.55 8.60 8.30 2dv6A1 GLU 442 HA 0.01 0.07 0.63 -0.75 4.29 4.24 2dv6A1 GLU 442 HB2 0.03 -0.03 0.09 -0.04 2.09 2.14 2dv6A1 GLU 442 HB3 0.02 0.01 0.11 -0.04 1.99 2.09 2dv6A1 GLU 442 HG2 0.05 -0.05 0.10 -0.04 2.34 2.40 2dv6A1 GLU 442 HG3 0.05 0.03 -0.08 -0.04 2.34 2.29 2dv6A1 GLY 443 H 0.02 0.01 0.14 -0.55 8.43 8.05 2dv6A1 GLY 443 HA2 0.03 -0.05 0.35 -0.51 4.01 3.83 2dv6A1 GLY 443 HA3 0.08 0.12 0.42 -0.51 4.01 4.12 2dv6A1 PRO 444 HA 0.02 0.06 0.39 -0.51 4.44 4.40 2dv6A1 PRO 444 HB2 0.03 -0.03 0.05 -0.04 2.28 2.29 2dv6A1 PRO 444 HB3 0.02 0.01 0.10 -0.04 2.02 2.11 2dv6A1 PRO 444 HG2 0.04 0.07 -0.01 -0.04 2.03 2.09 2dv6A1 PRO 444 HG3 0.02 0.02 0.05 -0.04 2.03 2.08 2dv6A1 PRO 444 HD2 0.04 0.12 0.19 -0.04 3.68 4.00 2dv6A1 PRO 444 HD3 0.03 0.07 0.17 -0.04 3.65 3.88 2dv6A1 ALA 445 H 0.03 0.08 0.06 -0.55 8.40 8.02 2dv6A1 ALA 445 HA 0.19 0.22 0.42 -0.75 4.34 4.41 2dv6A1 ALA 445 HB3 0.04 0.01 0.07 -0.04 1.41 1.49