============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. HIS 6 0.900 25.342 138.162 3.319 -99.200 -91.000 PHE 8 1.000 15.555 138.310 6.145 -99.200 -91.000 TYR 23 0.840 10.750 143.067 11.469 -99.200 -91.000 TRP 27 1.040 15.799 138.734 18.986 -99.200 -91.000 TRP6 27 1.020 17.650 139.546 20.208 -99.200 -91.000 TRP 28 1.040 14.684 134.586 18.745 -99.200 -91.000 TRP6 28 1.020 12.846 133.270 18.088 -99.200 -91.000 PHE 30 1.000 21.878 141.316 16.150 -99.200 -91.000 PHE 40 1.000 23.775 147.512 6.683 -99.200 -91.000 TYR 44 0.840 8.346 148.579 -0.117 -99.200 -91.000 PHE 61 1.000 4.486 138.912 19.034 -99.200 -91.000 PHE 62 1.000 12.265 141.171 18.520 -99.200 -91.000 PHE 75 1.000 17.105 142.692 15.135 -99.200 -91.000 PHE 76 1.000 14.486 146.418 17.226 -99.200 -91.000 TYR 81 0.840 8.247 150.660 7.308 -99.200 -91.000 TYR 86 0.840 2.994 145.571 -0.295 -99.200 -91.000 TYR 92 0.840 8.164 147.529 -5.196 -99.200 -91.000 HIS 98 0.900 16.528 152.449 3.417 -99.200 -91.000 HIS 103 0.900 30.314 150.783 4.344 -99.200 -91.000 PHE 112 1.000 14.796 141.710 -2.859 -99.200 -91.000 TYR 113 0.840 10.532 135.292 5.000 -99.200 -91.000 TYR 121 0.840 2.855 135.062 -2.219 -99.200 -91.000 HIS 129 0.900 13.777 140.373 -13.409 -99.200 -91.000 TRP 138 1.040 24.257 135.420 -2.655 -99.200 -91.000 TRP6 138 1.020 22.665 135.924 -0.981 -99.200 -91.000 PHE 147 1.000 4.889 127.888 -1.845 -99.200 -91.000 HIS 160 0.900 4.864 137.213 -12.139 -99.200 -91.000 PHE 165 1.000 12.710 137.263 -9.099 -99.200 -91.000 TYR 171 0.840 17.032 129.904 -1.642 -99.200 -91.000 HIS 175 0.900 6.191 125.009 9.367 -99.200 -91.000 TYR 176 0.840 5.511 119.785 9.973 -99.200 -91.000 PHE 190 1.000 18.650 107.587 1.529 -99.200 -91.000 PHE 195 1.000 17.519 102.176 11.540 -99.200 -91.000 TRP 199 1.040 12.984 102.994 4.254 -99.200 -91.000 TRP6 199 1.020 13.358 103.761 6.448 -99.200 -91.000 PHE 211 1.000 -0.456 118.973 11.584 -99.200 -91.000 PHE 215 1.000 -3.250 124.065 18.018 -99.200 -91.000 TYR 223 0.840 -8.147 134.956 8.019 -99.200 -91.000 PHE 224 1.000 -8.403 124.751 8.126 -99.200 -91.000 PHE 227 1.000 -6.014 128.850 0.968 -99.200 -91.000 HIS 237 0.900 3.346 121.705 6.765 -99.200 -91.000 TYR 282 0.840 -13.168 121.743 15.094 -99.200 -91.000 TYR 296 0.840 -14.598 125.000 9.953 -99.200 -91.000 PHE 311 1.000 -9.359 112.736 10.365 -99.200 -91.000 TYR 317 0.840 -2.097 102.031 -2.240 -99.200 -91.000 TRP 323 1.040 8.879 103.070 -1.121 -99.200 -91.000 TRP6 323 1.020 8.794 102.376 1.130 -99.200 -91.000 PHE 328 1.000 4.644 105.270 1.193 -99.200 -91.000 PHE 347 1.000 9.863 97.757 9.645 -99.200 -91.000 HIS 348 0.900 4.235 92.897 5.082 -99.200 -91.000 PHE 355 1.000 9.286 83.426 19.591 -99.200 -91.000 HIS 356 0.900 2.594 78.522 20.812 -99.200 -91.000 TYR 375 0.840 9.083 105.327 19.525 -99.200 -91.000 PHE 386 1.000 7.190 86.595 34.338 -99.200 -91.000 PHE 387 1.000 7.258 80.209 28.450 -99.200 -91.000 TYR 398 0.840 17.550 113.790 18.572 -99.200 -91.000 TYR 402 0.840 21.838 113.493 20.933 -99.200 -91.000 TYR 411 0.840 9.313 129.818 9.191 -99.200 -91.000 PHE 419 1.000 20.876 135.533 5.617 -99.200 -91.000 HIS 425 0.900 17.081 120.419 4.401 -99.200 -91.000 PHE 426 1.000 14.946 127.017 1.726 -99.200 -91.000 TRP 436 1.040 -0.274 122.701 -5.997 -99.200 -91.000 TRP6 436 1.020 -2.051 122.733 -4.440 -99.200 -91.000 PHE 439 1.000 -2.605 115.274 -1.726 -99.200 -91.000 HIS 444 0.900 -9.928 121.037 -9.398 -99.200 -91.000 TYR 456 0.840 -12.883 115.799 13.824 -99.200 -91.000 TYR 458 0.840 -11.612 121.208 20.497 -99.200 -91.000 PHE 475 1.000 -2.124 101.224 11.896 -99.200 -91.000 TYR 477 0.840 -5.001 100.297 18.131 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bhlA1 VAL 27 HA 0.21 0.10 0.16 -0.75 4.13 3.85 2bhlA1 VAL 27 HB 0.08 -0.24 0.18 -0.04 2.12 2.10 2bhlA1 VAL 27 HG13 0.09 0.02 0.09 -0.04 0.97 1.13 2bhlA1 VAL 27 HG23 0.08 0.03 0.06 -0.04 0.95 1.08 2bhlA1 GLN 28 H 0.08 0.12 0.12 -0.55 8.47 8.24 2bhlA1 GLN 28 HA 0.04 0.23 0.68 -0.75 4.36 4.55 2bhlA1 GLN 28 HB2 0.03 -0.02 0.10 -0.04 2.15 2.22 2bhlA1 GLN 28 HB3 0.02 0.07 0.12 -0.04 2.02 2.19 2bhlA1 GLN 28 HG2 0.08 0.04 -0.21 -0.04 2.40 2.26 2bhlA1 GLN 28 HG3 0.06 -0.05 0.06 -0.04 2.39 2.42 2bhlA1 GLN 28 HE21 0.04 -0.02 -0.02 -0.04 6.97 6.93 2bhlA1 GLN 28 HE22 0.07 0.05 -0.05 -0.04 7.69 7.71 2bhlA1 SER 29 H 0.08 -0.19 -0.20 -0.55 8.46 7.60 2bhlA1 SER 29 HA 0.03 0.14 0.71 -0.75 4.49 4.61 2bhlA1 SER 29 HB2 0.03 0.01 0.00 -0.04 3.95 3.95 2bhlA1 SER 29 HB3 0.03 0.02 -0.05 -0.04 3.93 3.88 2bhlA1 ASP 30 H 0.10 -0.21 -0.13 -0.55 8.40 7.60 2bhlA1 ASP 30 HA -0.00 0.01 0.44 -0.75 4.63 4.32 2bhlA1 ASP 30 HB2 0.10 0.30 0.06 -0.04 2.71 3.13 2bhlA1 ASP 30 HB3 -0.25 0.09 -0.15 -0.04 2.70 2.34 2bhlA1 THR 31 H -0.06 0.07 0.16 -0.55 8.28 7.90 2bhlA1 THR 31 HA 0.07 0.27 0.64 -0.75 4.39 4.62 2bhlA1 THR 31 HB -0.00 -0.09 0.07 -0.04 4.32 4.26 2bhlA1 THR 31 HG23 0.19 0.06 -0.09 -0.04 1.22 1.33 2bhlA1 HIS 32 H 0.16 0.86 0.46 -0.55 8.41 9.34 2bhlA1 HIS 32 HA -0.08 0.14 1.07 -0.75 4.63 5.01 2bhlA1 HIS 32 HB2 0.12 -0.04 0.00 -0.04 3.26 3.31 2bhlA1 HIS 32 HB3 0.29 -0.03 -0.05 -0.04 3.20 3.37 2bhlA1 HIS 32 HD2 0.40 -0.06 -0.09 -0.04 6.97 7.18 2bhlA1 HIS 32 HE1 0.07 0.23 -0.01 -0.04 7.75 8.00 2bhlA1 ILE 33 H 0.06 0.72 0.38 -0.55 8.25 8.87 2bhlA1 ILE 33 HA 0.24 0.19 1.09 -0.75 4.18 4.95 2bhlA1 ILE 33 HB -0.04 -0.05 0.13 -0.04 1.89 1.90 2bhlA1 ILE 33 HG12 0.22 0.05 -0.21 -0.04 1.49 1.51 2bhlA1 ILE 33 HG13 0.05 0.04 -0.23 -0.04 1.21 1.03 2bhlA1 ILE 33 HG23 0.07 -0.03 -0.13 -0.04 0.93 0.79 2bhlA1 ILE 33 HD13 0.01 -0.01 -0.10 -0.04 0.88 0.74 2bhlA1 PHE 34 H 0.27 1.03 0.42 -0.55 8.34 9.50 2bhlA1 PHE 34 HA 0.02 0.18 1.04 -0.75 4.62 5.11 2bhlA1 PHE 34 HB2 0.25 0.05 -0.04 -0.04 3.15 3.36 2bhlA1 PHE 34 HB3 0.09 -0.05 0.21 -0.04 3.06 3.27 2bhlA1 PHE 34 HD2 0.01 -0.00 -0.06 -0.04 7.28 7.18 2bhlA1 PHE 34 HE2 -0.07 -0.04 -0.13 -0.04 7.38 7.10 2bhlA1 PHE 34 HZ -0.01 -0.08 -0.10 -0.04 7.32 7.09 2bhlA1 ILE 35 H -0.37 0.50 0.20 -0.55 8.25 8.03 2bhlA1 ILE 35 HA -0.10 0.28 0.82 -0.75 4.18 4.43 2bhlA1 ILE 35 HB -0.30 -0.07 0.20 -0.04 1.89 1.68 2bhlA1 ILE 35 HG12 -0.19 0.01 -0.08 -0.04 1.49 1.19 2bhlA1 ILE 35 HG13 -0.16 -0.04 -0.13 -0.04 1.21 0.83 2bhlA1 ILE 35 HG23 0.03 -0.02 -0.18 -0.04 0.93 0.72 2bhlA1 ILE 35 HD13 -0.93 0.04 -0.10 -0.04 0.88 -0.15 2bhlA1 ILE 36 H -0.07 0.53 0.25 -0.55 8.25 8.41 2bhlA1 ILE 36 HA -0.13 0.17 0.76 -0.75 4.18 4.23 2bhlA1 ILE 36 HB -0.09 -0.07 0.16 -0.04 1.89 1.86 2bhlA1 ILE 36 HG12 -0.14 0.00 -0.16 -0.04 1.49 1.16 2bhlA1 ILE 36 HG13 -0.05 0.18 -0.10 -0.04 1.21 1.20 2bhlA1 ILE 36 HG23 -0.13 -0.04 -0.21 -0.04 0.93 0.51 2bhlA1 ILE 36 HD13 -0.62 -0.01 -0.15 -0.04 0.88 0.07 2bhlA1 MET 37 H 0.04 0.72 0.30 -0.55 8.47 8.98 2bhlA1 MET 37 HA 0.18 0.07 0.67 -0.75 4.52 4.69 2bhlA1 MET 37 HB2 0.04 -0.07 0.20 -0.04 2.15 2.29 2bhlA1 MET 37 HB3 0.06 -0.06 -0.00 -0.04 2.03 2.00 2bhlA1 MET 37 HG2 0.09 0.17 -0.03 -0.04 2.63 2.82 2bhlA1 MET 37 HG3 0.08 -0.01 -0.09 -0.04 2.56 2.49 2bhlA1 MET 37 HE3 -0.17 -0.01 -0.09 -0.04 2.10 1.78 2bhlA1 GLY 38 H 0.27 0.71 0.47 -0.55 8.43 9.33 2bhlA1 GLY 38 HA2 0.27 -0.10 0.44 -0.51 4.01 4.11 2bhlA1 GLY 38 HA3 0.13 0.24 0.59 -0.51 4.01 4.46 2bhlA1 ALA 39 H 0.20 0.36 0.17 -0.55 8.40 8.58 2bhlA1 ALA 39 HA 0.24 0.07 0.27 -0.75 4.34 4.15 2bhlA1 ALA 39 HB3 0.38 0.07 0.06 -0.04 1.41 1.88 2bhlA1 SER 40 H 0.21 -0.04 -0.33 -0.55 8.46 7.75 2bhlA1 SER 40 HA 0.13 0.22 0.68 -0.75 4.49 4.77 2bhlA1 SER 40 HB2 0.09 0.03 0.01 -0.04 3.95 4.04 2bhlA1 SER 40 HB3 0.09 0.05 0.02 -0.04 3.93 4.05 2bhlA1 GLY 41 H 0.14 0.32 -0.19 -0.55 8.43 8.15 2bhlA1 GLY 41 HA2 0.07 0.04 0.38 -0.51 4.01 3.99 2bhlA1 GLY 41 HA3 0.08 0.11 0.41 -0.51 4.01 4.10 2bhlA1 ASP 42 H 0.02 0.11 0.19 -0.55 8.40 8.18 2bhlA1 ASP 42 HA 0.00 0.27 0.60 -0.75 4.63 4.75 2bhlA1 ASP 42 HB2 -0.02 -0.05 0.14 -0.04 2.71 2.74 2bhlA1 ASP 42 HB3 -0.04 0.06 0.04 -0.04 2.70 2.73 2bhlA1 LEU 43 H -0.01 0.08 0.04 -0.55 8.37 7.93 2bhlA1 LEU 43 HA -0.09 0.14 0.36 -0.75 4.35 4.01 2bhlA1 LEU 43 HB2 -0.04 0.05 0.06 -0.04 1.64 1.67 2bhlA1 LEU 43 HB3 -0.00 0.01 0.10 -0.04 1.64 1.71 2bhlA1 LEU 43 HG -0.05 -0.04 -0.55 -0.04 1.64 0.95 2bhlA1 LEU 43 HD13 -0.11 0.01 -0.01 -0.04 0.93 0.77 2bhlA1 LEU 43 HD23 0.12 0.03 -0.07 -0.04 0.89 0.93 2bhlA1 ALA 44 H 0.03 0.08 -0.35 -0.55 8.40 7.62 2bhlA1 ALA 44 HA -0.04 -0.01 0.39 -0.75 4.34 3.93 2bhlA1 ALA 44 HB3 0.15 0.08 -0.06 -0.04 1.41 1.54 2bhlA1 LYS 45 H 0.12 0.44 -0.28 -0.55 8.42 8.14 2bhlA1 LYS 45 HA 0.29 0.01 0.29 -0.75 4.32 4.16 2bhlA1 LYS 45 HB2 0.14 -0.05 -0.06 -0.04 1.87 1.86 2bhlA1 LYS 45 HB3 0.13 0.17 0.04 -0.04 1.79 2.08 2bhlA1 LYS 45 HG2 -0.01 -0.02 -0.11 -0.04 1.46 1.28 2bhlA1 LYS 45 HG3 0.22 0.12 -0.18 -0.04 1.46 1.58 2bhlA1 LYS 45 HD2 0.12 -0.08 -0.05 -0.04 1.69 1.64 2bhlA1 LYS 45 HD3 0.08 0.11 -0.06 -0.04 1.68 1.77 2bhlA1 LYS 45 HE2 0.10 -0.10 -0.01 -0.04 2.99 2.93 2bhlA1 LYS 45 HE3 0.30 0.13 0.01 -0.04 2.99 3.39 2bhlA1 LYS 46 H -0.11 0.07 -0.68 -0.55 8.42 7.14 2bhlA1 LYS 46 HA -0.74 0.28 1.04 -0.75 4.32 4.15 2bhlA1 LYS 46 HB2 -0.27 0.08 0.08 -0.04 1.87 1.72 2bhlA1 LYS 46 HB3 -0.48 -0.08 0.05 -0.04 1.79 1.24 2bhlA1 LYS 46 HG2 -1.46 0.08 -0.07 -0.04 1.46 -0.02 2bhlA1 LYS 46 HG3 -0.30 -0.01 -0.01 -0.04 1.46 1.09 2bhlA1 LYS 46 HD2 -0.21 -0.07 -0.03 -0.04 1.69 1.33 2bhlA1 LYS 46 HD3 -0.34 0.01 0.00 -0.04 1.68 1.31 2bhlA1 LYS 46 HE2 0.03 0.05 -0.00 -0.04 2.99 3.02 2bhlA1 LYS 46 HE3 -0.06 -0.08 0.01 -0.04 2.99 2.82 2bhlA1 LYS 47 H -0.15 0.40 -0.03 -0.55 8.42 8.09 2bhlA1 LYS 47 HA -0.21 0.23 1.01 -0.75 4.32 4.60 2bhlA1 LYS 47 HB2 -0.22 -0.02 -0.05 -0.04 1.87 1.54 2bhlA1 LYS 47 HB3 -0.27 0.03 0.18 -0.04 1.79 1.69 2bhlA1 LYS 47 HG2 -0.79 -0.06 -0.06 -0.04 1.46 0.51 2bhlA1 LYS 47 HG3 -0.45 -0.03 -0.19 -0.04 1.46 0.75 2bhlA1 LYS 47 HD2 -0.15 0.10 0.01 -0.04 1.69 1.60 2bhlA1 LYS 47 HD3 -0.29 -0.07 -0.01 -0.04 1.68 1.26 2bhlA1 LYS 47 HE2 0.08 -0.15 0.01 -0.04 2.99 2.88 2bhlA1 LYS 47 HE3 -0.10 -0.01 0.01 -0.04 2.99 2.84 2bhlA1 ILE 48 H -0.21 0.40 0.27 -0.55 8.25 8.16 2bhlA1 ILE 48 HA -0.32 -0.00 0.35 -0.75 4.18 3.45 2bhlA1 ILE 48 HB -0.26 0.01 0.11 -0.04 1.89 1.71 2bhlA1 ILE 48 HG12 -0.20 0.00 -0.17 -0.04 1.49 1.08 2bhlA1 ILE 48 HG13 -0.62 0.01 -0.12 -0.04 1.21 0.43 2bhlA1 ILE 48 HG23 -0.40 0.00 -0.13 -0.04 0.93 0.37 2bhlA1 ILE 48 HD13 -0.39 -0.05 -0.09 -0.04 0.88 0.31 2bhlA1 TYR 49 H 0.02 0.70 0.01 -0.55 8.29 8.47 2bhlA1 TYR 49 HA 0.02 0.02 0.40 -0.75 4.56 4.25 2bhlA1 TYR 49 HB2 0.09 0.17 0.02 -0.04 3.06 3.30 2bhlA1 TYR 49 HB3 0.23 0.02 -0.12 -0.04 2.98 3.07 2bhlA1 TYR 49 HD2 0.20 -0.00 -0.25 -0.04 7.15 7.06 2bhlA1 TYR 49 HE2 0.15 0.04 -0.03 -0.04 6.85 6.96 2bhlA1 PRO 50 HA -1.15 0.01 0.26 -0.51 4.44 3.04 2bhlA1 PRO 50 HB2 -0.56 0.02 -0.10 -0.04 2.28 1.60 2bhlA1 PRO 50 HB3 -0.29 0.32 -0.05 -0.04 2.02 1.96 2bhlA1 PRO 50 HG2 0.04 0.14 -0.25 -0.04 2.03 1.92 2bhlA1 PRO 50 HG3 0.30 0.08 -0.16 -0.04 2.03 2.21 2bhlA1 PRO 50 HD2 -0.06 -0.07 -0.53 -0.04 3.68 2.98 2bhlA1 PRO 50 HD3 0.25 0.12 -0.11 -0.04 3.65 3.87 2bhlA1 THR 51 H -0.54 0.50 -0.49 -0.55 8.28 7.20 2bhlA1 THR 51 HA -0.87 -0.01 0.37 -0.75 4.39 3.12 2bhlA1 THR 51 HB -0.26 0.11 0.10 -0.04 4.32 4.23 2bhlA1 THR 51 HG23 0.03 -0.04 -0.35 -0.04 1.22 0.81 2bhlA1 ILE 52 H -0.28 0.70 -0.02 -0.55 8.25 8.11 2bhlA1 ILE 52 HA -0.17 -0.02 0.31 -0.75 4.18 3.54 2bhlA1 ILE 52 HB -0.27 0.01 0.10 -0.04 1.89 1.68 2bhlA1 ILE 52 HG12 -0.22 -0.01 -0.06 -0.04 1.49 1.16 2bhlA1 ILE 52 HG13 0.02 0.01 -0.11 -0.04 1.21 1.08 2bhlA1 ILE 52 HG23 0.09 0.03 0.07 -0.04 0.93 1.09 2bhlA1 ILE 52 HD13 -0.51 -0.01 -0.03 -0.04 0.88 0.28 2bhlA1 TRP 53 H -0.30 0.45 -0.47 -0.55 7.97 7.10 2bhlA1 TRP 53 HA -0.39 0.07 0.46 -0.75 4.62 4.01 2bhlA1 TRP 53 HB2 -1.98 -0.05 0.01 -0.04 3.23 1.17 2bhlA1 TRP 53 HB3 -1.17 0.18 0.04 -0.04 3.23 2.24 2bhlA1 TRP 53 HD1 -1.29 0.13 0.11 -0.04 7.22 6.13 2bhlA1 TRP 53 HE1 0.40 0.33 0.05 -0.04 10.20 10.93 2bhlA1 TRP 53 HE3 -0.04 0.02 -0.01 -0.04 7.59 7.52 2bhlA1 TRP 53 HZ2 0.21 -0.05 -0.05 -0.04 7.44 7.51 2bhlA1 TRP 53 HZ3 0.27 -0.02 -0.17 -0.04 7.13 7.17 2bhlA1 TRP 53 HH2 0.13 -0.03 0.00 -0.04 7.19 7.25 2bhlA1 TRP 54 H -0.67 0.47 -0.07 -0.55 7.97 7.15 2bhlA1 TRP 54 HA -1.05 0.02 0.47 -0.75 4.62 3.31 2bhlA1 TRP 54 HB2 -0.24 0.06 0.20 -0.04 3.23 3.20 2bhlA1 TRP 54 HB3 -0.31 -0.06 0.03 -0.04 3.23 2.85 2bhlA1 TRP 54 HD1 -1.18 -0.12 -0.01 -0.04 7.22 5.86 2bhlA1 TRP 54 HE1 0.27 0.77 0.15 -0.04 10.20 11.34 2bhlA1 TRP 54 HE3 -0.08 -0.11 0.05 -0.04 7.59 7.41 2bhlA1 TRP 54 HZ2 0.11 0.11 -0.12 -0.04 7.44 7.50 2bhlA1 TRP 54 HZ3 -0.01 -0.17 -0.01 -0.04 7.13 6.91 2bhlA1 TRP 54 HH2 0.03 -0.03 -0.02 -0.04 7.19 7.13 2bhlA1 LEU 55 H -0.03 0.52 -0.10 -0.55 8.37 8.22 2bhlA1 LEU 55 HA -0.04 0.01 0.31 -0.75 4.35 3.88 2bhlA1 LEU 55 HB2 -0.05 0.20 0.04 -0.04 1.64 1.78 2bhlA1 LEU 55 HB3 -0.08 -0.02 -0.07 -0.04 1.64 1.43 2bhlA1 LEU 55 HG 0.03 -0.00 0.02 -0.04 1.64 1.65 2bhlA1 LEU 55 HD13 -0.00 -0.00 -0.10 -0.04 0.93 0.79 2bhlA1 LEU 55 HD23 0.02 0.03 -0.02 -0.04 0.89 0.88 2bhlA1 PHE 56 H 0.06 0.21 -0.68 -0.55 8.34 7.38 2bhlA1 PHE 56 HA -0.05 0.01 0.43 -0.75 4.62 4.26 2bhlA1 PHE 56 HB2 0.19 0.06 0.11 -0.04 3.15 3.46 2bhlA1 PHE 56 HB3 0.04 0.21 0.32 -0.04 3.06 3.59 2bhlA1 PHE 56 HD2 0.34 0.02 -0.01 -0.04 7.28 7.58 2bhlA1 PHE 56 HE2 0.28 0.10 -0.06 -0.04 7.38 7.66 2bhlA1 PHE 56 HZ 0.20 -0.09 -0.28 -0.04 7.32 7.12 2bhlA1 ARG 57 H -0.34 0.85 0.20 -0.55 8.46 8.61 2bhlA1 ARG 57 HA -0.47 -0.00 0.40 -0.75 4.34 3.51 2bhlA1 ARG 57 HB2 -0.74 -0.11 0.09 -0.04 1.90 1.10 2bhlA1 ARG 57 HB3 -1.34 0.12 0.19 -0.04 1.80 0.73 2bhlA1 ARG 57 HG2 -0.36 0.12 -0.38 -0.04 1.67 1.00 2bhlA1 ARG 57 HG3 -0.26 -0.07 -0.15 -0.04 1.67 1.15 2bhlA1 ARG 57 HD2 -0.20 -0.08 -0.03 -0.04 3.22 2.87 2bhlA1 ARG 57 HD3 -0.97 -0.00 -0.02 -0.04 3.22 2.19 2bhlA1 ASP 58 H -0.26 0.77 -0.14 -0.55 8.40 8.22 2bhlA1 ASP 58 HA -0.17 0.03 0.52 -0.75 4.63 4.25 2bhlA1 ASP 58 HB2 -0.12 0.03 -0.01 -0.04 2.71 2.56 2bhlA1 ASP 58 HB3 -0.12 -0.05 0.09 -0.04 2.70 2.59 2bhlA1 GLY 59 H -0.23 0.35 -0.78 -0.55 8.43 7.23 2bhlA1 GLY 59 HA2 -0.18 0.11 0.29 -0.51 4.01 3.73 2bhlA1 GLY 59 HA3 -0.13 -0.05 0.36 -0.51 4.01 3.68 2bhlA1 LEU 60 H -0.11 0.66 0.12 -0.55 8.37 8.50 2bhlA1 LEU 60 HA -0.08 0.14 0.70 -0.75 4.35 4.35 2bhlA1 LEU 60 HB2 -0.08 -0.06 0.03 -0.04 1.64 1.49 2bhlA1 LEU 60 HB3 -0.06 -0.06 0.01 -0.04 1.64 1.49 2bhlA1 LEU 60 HG -0.09 0.01 -0.33 -0.04 1.64 1.19 2bhlA1 LEU 60 HD13 -0.04 -0.05 -0.07 -0.04 0.93 0.73 2bhlA1 LEU 60 HD23 -0.06 0.02 -0.16 -0.04 0.89 0.65 2bhlA1 LEU 61 H -0.11 0.14 -0.04 -0.55 8.37 7.81 2bhlA1 LEU 61 HA -0.41 0.06 0.40 -0.75 4.35 3.64 2bhlA1 LEU 61 HB2 -0.03 -0.01 -0.07 -0.04 1.64 1.49 2bhlA1 LEU 61 HB3 -0.24 0.11 -0.06 -0.04 1.64 1.41 2bhlA1 LEU 61 HG -0.16 -0.13 -0.23 -0.04 1.64 1.08 2bhlA1 LEU 61 HD13 0.12 0.05 -0.08 -0.04 0.93 0.97 2bhlA1 LEU 61 HD23 -0.48 -0.01 -0.09 -0.04 0.89 0.27 2bhlA1 PRO 62 HA -0.11 0.06 0.41 -0.51 4.44 4.30 2bhlA1 PRO 62 HB2 -0.09 0.06 -0.16 -0.04 2.28 2.05 2bhlA1 PRO 62 HB3 -0.16 0.10 0.09 -0.04 2.02 2.01 2bhlA1 PRO 62 HG2 -0.59 0.00 -0.08 -0.04 2.03 1.32 2bhlA1 PRO 62 HG3 -0.73 0.09 0.02 -0.04 2.03 1.36 2bhlA1 PRO 62 HD2 -0.43 0.04 0.04 -0.04 3.68 3.29 2bhlA1 PRO 62 HD3 -0.79 0.09 0.15 -0.04 3.65 3.06 2bhlA1 GLU 63 H -0.04 0.15 0.06 -0.55 8.60 8.22 2bhlA1 GLU 63 HA -0.03 0.06 0.30 -0.75 4.29 3.86 2bhlA1 GLU 63 HB2 -0.01 -0.04 0.07 -0.04 2.09 2.06 2bhlA1 GLU 63 HB3 -0.02 -0.03 -0.02 -0.04 1.99 1.88 2bhlA1 GLU 63 HG2 -0.02 -0.02 0.06 -0.04 2.34 2.32 2bhlA1 GLU 63 HG3 -0.03 0.04 0.13 -0.04 2.34 2.44 2bhlA1 ASN 64 H -0.02 0.14 -0.29 -0.55 8.53 7.81 2bhlA1 ASN 64 HA -0.21 0.16 0.65 -0.75 4.76 4.60 2bhlA1 ASN 64 HB2 0.02 0.06 -0.05 -0.04 2.88 2.86 2bhlA1 ASN 64 HB3 -0.04 -0.01 0.09 -0.04 2.79 2.79 2bhlA1 ASN 64 HD21 0.01 -0.06 -0.03 -0.04 7.03 6.91 2bhlA1 ASN 64 HD22 0.02 0.15 -0.14 -0.04 7.74 7.73 2bhlA1 THR 65 H -0.19 0.51 -0.03 -0.55 8.28 8.02 2bhlA1 THR 65 HA 0.01 0.24 1.02 -0.75 4.39 4.90 2bhlA1 THR 65 HB -0.08 0.05 0.00 -0.04 4.32 4.26 2bhlA1 THR 65 HG23 0.05 -0.06 -0.26 -0.04 1.22 0.91 2bhlA1 PHE 66 H 0.18 0.58 0.45 -0.55 8.34 8.99 2bhlA1 PHE 66 HA 0.01 0.26 1.03 -0.75 4.62 5.17 2bhlA1 PHE 66 HB2 0.06 -0.05 0.14 -0.04 3.15 3.26 2bhlA1 PHE 66 HB3 0.06 -0.02 -0.06 -0.04 3.06 2.99 2bhlA1 PHE 66 HD2 0.03 0.07 -0.03 -0.04 7.28 7.31 2bhlA1 PHE 66 HE2 0.05 0.08 -0.02 -0.04 7.38 7.45 2bhlA1 PHE 66 HZ 0.07 -0.06 0.02 -0.04 7.32 7.30 2bhlA1 ILE 67 H 0.11 0.87 0.32 -0.55 8.25 9.01 2bhlA1 ILE 67 HA 0.20 0.16 1.07 -0.75 4.18 4.86 2bhlA1 ILE 67 HB -0.12 0.07 0.09 -0.04 1.89 1.89 2bhlA1 ILE 67 HG12 0.03 -0.05 -0.08 -0.04 1.49 1.34 2bhlA1 ILE 67 HG13 0.26 0.03 0.00 -0.04 1.21 1.46 2bhlA1 ILE 67 HG23 0.15 -0.04 -0.12 -0.04 0.93 0.88 2bhlA1 ILE 67 HD13 -0.04 -0.01 -0.38 -0.04 0.88 0.41 2bhlA1 VAL 68 H 0.10 0.41 0.05 -0.55 8.24 8.24 2bhlA1 VAL 68 HA 0.08 0.14 0.92 -0.75 4.13 4.52 2bhlA1 VAL 68 HB 0.01 -0.06 -0.02 -0.04 2.12 2.01 2bhlA1 VAL 68 HG13 -0.12 -0.01 -0.37 -0.04 0.97 0.43 2bhlA1 VAL 68 HG23 0.12 0.02 -0.27 -0.04 0.95 0.78 2bhlA1 GLY 69 H 0.12 0.69 0.27 -0.55 8.43 8.96 2bhlA1 GLY 69 HA2 0.10 0.13 0.76 -0.51 4.01 4.48 2bhlA1 GLY 69 HA3 0.25 -0.01 0.36 -0.51 4.01 4.10 2bhlA1 TYR 70 H 0.09 0.54 0.25 -0.55 8.29 8.62 2bhlA1 TYR 70 HA -0.44 0.28 0.86 -0.75 4.56 4.50 2bhlA1 TYR 70 HB2 -0.14 0.09 -0.18 -0.04 3.06 2.79 2bhlA1 TYR 70 HB3 -0.03 -0.11 0.01 -0.04 2.98 2.81 2bhlA1 TYR 70 HD2 -0.04 -0.11 -0.20 -0.04 7.15 6.76 2bhlA1 TYR 70 HE2 -0.25 0.02 -0.26 -0.04 6.85 6.32 2bhlA1 ALA 71 H -0.79 0.56 0.18 -0.55 8.40 7.81 2bhlA1 ALA 71 HA 0.14 0.06 0.47 -0.75 4.34 4.25 2bhlA1 ALA 71 HB3 0.20 -0.04 0.02 -0.04 1.41 1.55 2bhlA1 ARG 72 H -0.01 0.01 0.17 -0.55 8.46 8.08 2bhlA1 ARG 72 HA -0.22 0.39 0.87 -0.75 4.34 4.63 2bhlA1 ARG 72 HB2 -0.05 -0.09 0.22 -0.04 1.90 1.94 2bhlA1 ARG 72 HB3 -0.05 0.04 -0.02 -0.04 1.80 1.73 2bhlA1 ARG 72 HG2 -0.15 0.00 0.03 -0.04 1.67 1.51 2bhlA1 ARG 72 HG3 -0.38 0.04 0.09 -0.04 1.67 1.38 2bhlA1 ARG 72 HD2 -0.01 -0.01 0.05 -0.04 3.22 3.21 2bhlA1 ARG 72 HD3 -0.04 0.03 0.02 -0.04 3.22 3.19 2bhlA1 SER 73 H 0.03 0.01 0.10 -0.55 8.46 8.05 2bhlA1 SER 73 HA -0.00 0.05 0.39 -0.75 4.49 4.18 2bhlA1 SER 73 HB2 0.02 0.00 0.11 -0.04 3.95 4.05 2bhlA1 SER 73 HB3 0.04 -0.07 0.09 -0.04 3.93 3.95 2bhlA1 ARG 74 H -0.01 0.10 0.25 -0.55 8.46 8.26 2bhlA1 ARG 74 HA 0.08 -0.02 0.46 -0.75 4.34 4.11 2bhlA1 ARG 74 HB2 -0.03 -0.01 0.17 -0.04 1.90 1.99 2bhlA1 ARG 74 HB3 -0.00 0.03 0.10 -0.04 1.80 1.89 2bhlA1 ARG 74 HG2 -0.02 0.08 0.13 -0.04 1.67 1.81 2bhlA1 ARG 74 HG3 -0.02 -0.08 0.20 -0.04 1.67 1.73 2bhlA1 ARG 74 HD2 -0.02 -0.01 0.05 -0.04 3.22 3.20 2bhlA1 ARG 74 HD3 -0.01 0.02 0.03 -0.04 3.22 3.22 2bhlA1 LEU 75 H -0.33 0.12 0.19 -0.55 8.37 7.81 2bhlA1 LEU 75 HA -0.20 0.22 0.90 -0.75 4.35 4.52 2bhlA1 LEU 75 HB2 -0.92 -0.01 -0.10 -0.04 1.64 0.57 2bhlA1 LEU 75 HB3 -0.32 -0.16 0.13 -0.04 1.64 1.24 2bhlA1 LEU 75 HG -0.22 0.23 -0.66 -0.04 1.64 0.95 2bhlA1 LEU 75 HD13 -0.21 -0.04 -0.11 -0.04 0.93 0.53 2bhlA1 LEU 75 HD23 -0.12 0.01 -0.10 -0.04 0.89 0.64 2bhlA1 THR 76 H -0.22 0.14 0.20 -0.55 8.28 7.84 2bhlA1 THR 76 HA -0.09 0.29 0.88 -0.75 4.39 4.72 2bhlA1 THR 76 HB -0.07 -0.00 0.10 -0.04 4.32 4.30 2bhlA1 THR 76 HG23 -0.07 0.05 -0.10 -0.04 1.22 1.07 2bhlA1 VAL 77 H -0.02 0.29 0.12 -0.55 8.24 8.08 2bhlA1 VAL 77 HA -0.00 0.07 0.28 -0.75 4.13 3.72 2bhlA1 VAL 77 HB 0.02 0.02 0.09 -0.04 2.12 2.20 2bhlA1 VAL 77 HG13 0.12 0.07 -0.01 -0.04 0.97 1.11 2bhlA1 VAL 77 HG23 0.11 0.08 -0.14 -0.04 0.95 0.96 2bhlA1 ALA 78 H -0.10 -0.02 -0.51 -0.55 8.40 7.21 2bhlA1 ALA 78 HA -0.22 0.15 0.33 -0.75 4.34 3.84 2bhlA1 ALA 78 HB3 -0.12 0.02 0.02 -0.04 1.41 1.29 2bhlA1 ASP 79 H -0.15 0.12 -0.06 -0.55 8.40 7.76 2bhlA1 ASP 79 HA -0.13 0.08 0.42 -0.75 4.63 4.24 2bhlA1 ASP 79 HB2 -0.17 -0.00 0.13 -0.04 2.71 2.63 2bhlA1 ASP 79 HB3 -0.12 0.05 0.02 -0.04 2.70 2.61 2bhlA1 ILE 80 H -0.16 0.34 -0.11 -0.55 8.25 7.77 2bhlA1 ILE 80 HA -0.13 0.02 0.29 -0.75 4.18 3.60 2bhlA1 ILE 80 HB -0.10 0.01 0.02 -0.04 1.89 1.78 2bhlA1 ILE 80 HG12 0.04 0.00 -0.09 -0.04 1.49 1.40 2bhlA1 ILE 80 HG13 -0.21 0.07 -0.03 -0.04 1.21 0.99 2bhlA1 ILE 80 HG23 -0.11 0.03 -0.26 -0.04 0.93 0.55 2bhlA1 ILE 80 HD13 -0.10 -0.03 -0.14 -0.04 0.88 0.57 2bhlA1 ARG 81 H -0.29 0.39 -0.45 -0.55 8.46 7.56 2bhlA1 ARG 81 HA -0.36 0.03 0.44 -0.75 4.34 3.69 2bhlA1 ARG 81 HB2 -1.68 0.01 0.11 -0.04 1.90 0.30 2bhlA1 ARG 81 HB3 -0.56 0.16 0.20 -0.04 1.80 1.56 2bhlA1 ARG 81 HG2 -0.44 0.01 -0.19 -0.04 1.67 1.00 2bhlA1 ARG 81 HG3 -0.67 -0.06 -0.02 -0.04 1.67 0.87 2bhlA1 ARG 81 HD2 -1.19 0.02 -0.01 -0.04 3.22 2.01 2bhlA1 ARG 81 HD3 -0.45 -0.02 -0.01 -0.04 3.22 2.69 2bhlA1 LYS 82 H -0.24 0.41 -0.04 -0.55 8.42 7.99 2bhlA1 LYS 82 HA -0.21 0.01 0.35 -0.75 4.32 3.71 2bhlA1 LYS 82 HB2 -0.16 -0.02 0.14 -0.04 1.87 1.78 2bhlA1 LYS 82 HB3 -0.13 0.08 0.19 -0.04 1.79 1.89 2bhlA1 LYS 82 HG2 -0.09 -0.04 -0.04 -0.04 1.46 1.24 2bhlA1 LYS 82 HG3 -0.11 0.02 -0.03 -0.04 1.46 1.30 2bhlA1 LYS 82 HD2 -0.11 -0.00 0.03 -0.04 1.69 1.57 2bhlA1 LYS 82 HD3 -0.13 -0.00 0.03 -0.04 1.68 1.54 2bhlA1 LYS 82 HE2 -0.08 -0.01 -0.00 -0.04 2.99 2.85 2bhlA1 LYS 82 HE3 -0.08 -0.02 -0.01 -0.04 2.99 2.84 2bhlA1 GLN 83 H -0.11 0.38 -0.16 -0.55 8.47 8.03 2bhlA1 GLN 83 HA -0.03 0.16 0.77 -0.75 4.36 4.51 2bhlA1 GLN 83 HB2 0.06 0.01 0.07 -0.04 2.15 2.24 2bhlA1 GLN 83 HB3 -0.01 -0.06 0.03 -0.04 2.02 1.94 2bhlA1 GLN 83 HG2 -0.06 -0.05 -0.15 -0.04 2.40 2.10 2bhlA1 GLN 83 HG3 -0.06 0.14 0.05 -0.04 2.39 2.48 2bhlA1 GLN 83 HE21 0.02 -0.01 0.01 -0.04 6.97 6.94 2bhlA1 GLN 83 HE22 -0.03 -0.06 -0.07 -0.04 7.69 7.50 2bhlA1 SER 84 H -0.07 0.32 -0.12 -0.55 8.46 8.05 2bhlA1 SER 84 HA 0.51 0.33 0.96 -0.75 4.49 5.53 2bhlA1 SER 84 HB2 0.21 0.01 0.01 -0.04 3.95 4.14 2bhlA1 SER 84 HB3 0.50 -0.00 0.09 -0.04 3.93 4.48 2bhlA1 GLU 85 H -0.28 0.54 0.08 -0.55 8.60 8.39 2bhlA1 GLU 85 HA -1.27 -0.04 0.41 -0.75 4.29 2.64 2bhlA1 GLU 85 HB2 -0.51 0.30 0.20 -0.04 2.09 2.04 2bhlA1 GLU 85 HB3 -0.32 -0.00 0.04 -0.04 1.99 1.66 2bhlA1 GLU 85 HG2 -0.32 -0.08 0.10 -0.04 2.34 2.00 2bhlA1 GLU 85 HG3 -0.65 -0.03 0.08 -0.04 2.34 1.70 2bhlA1 PRO 86 HA -0.16 0.09 0.70 -0.51 4.44 4.56 2bhlA1 PRO 86 HB2 -0.47 -0.00 0.14 -0.04 2.28 1.91 2bhlA1 PRO 86 HB3 -0.23 -0.01 0.07 -0.04 2.02 1.80 2bhlA1 PRO 86 HG2 -0.65 0.09 -0.10 -0.04 2.03 1.33 2bhlA1 PRO 86 HG3 -0.25 0.06 0.01 -0.04 2.03 1.80 2bhlA1 PRO 86 HD2 -0.21 0.06 -0.88 -0.04 3.68 2.61 2bhlA1 PRO 86 HD3 -0.23 0.20 -0.13 -0.04 3.65 3.45 2bhlA1 PHE 87 H 0.19 0.28 -0.48 -0.55 8.34 7.77 2bhlA1 PHE 87 HA 0.21 0.09 0.78 -0.75 4.62 4.95 2bhlA1 PHE 87 HB2 0.27 0.25 0.12 -0.04 3.15 3.75 2bhlA1 PHE 87 HB3 0.16 -0.03 0.20 -0.04 3.06 3.35 2bhlA1 PHE 87 HD2 0.12 0.05 0.16 -0.04 7.28 7.57 2bhlA1 PHE 87 HE2 0.05 0.03 0.03 -0.04 7.38 7.45 2bhlA1 PHE 87 HZ 0.04 -0.10 -0.01 -0.04 7.32 7.21 2bhlA1 PHE 88 H 0.47 0.21 -0.06 -0.55 8.34 8.41 2bhlA1 PHE 88 HA 0.42 0.16 0.54 -0.75 4.62 4.99 2bhlA1 PHE 88 HB2 -0.02 0.12 0.19 -0.04 3.15 3.41 2bhlA1 PHE 88 HB3 0.03 -0.03 0.08 -0.04 3.06 3.10 2bhlA1 PHE 88 HD2 -0.87 -0.07 -0.12 -0.04 7.28 6.17 2bhlA1 PHE 88 HE2 -0.39 0.02 -0.19 -0.04 7.38 6.77 2bhlA1 PHE 88 HZ 0.07 -0.03 -0.21 -0.04 7.32 7.11 2bhlA1 LYS 89 H 0.39 0.11 -0.29 -0.55 8.42 8.07 2bhlA1 LYS 89 HA 0.23 0.00 0.21 -0.75 4.32 4.01 2bhlA1 LYS 89 HB2 0.33 -0.02 -0.10 -0.04 1.87 2.04 2bhlA1 LYS 89 HB3 0.57 0.34 -0.16 -0.04 1.79 2.50 2bhlA1 LYS 89 HG2 -0.12 -0.00 0.14 -0.04 1.46 1.44 2bhlA1 LYS 89 HG3 -0.01 -0.05 0.11 -0.04 1.46 1.48 2bhlA1 LYS 89 HD2 -0.22 -0.04 0.02 -0.04 1.69 1.41 2bhlA1 LYS 89 HD3 -0.59 0.03 -0.01 -0.04 1.68 1.06 2bhlA1 LYS 89 HE2 -0.65 0.02 0.02 -0.04 2.99 2.34 2bhlA1 LYS 89 HE3 -0.38 -0.02 0.02 -0.04 2.99 2.57 2bhlA1 ALA 90 H 0.38 -0.06 -0.39 -0.55 8.40 7.78 2bhlA1 ALA 90 HA 0.43 0.13 0.39 -0.75 4.34 4.54 2bhlA1 ALA 90 HB3 0.32 0.02 -0.05 -0.04 1.41 1.66 2bhlA1 THR 91 H 0.23 0.13 0.15 -0.55 8.28 8.24 2bhlA1 THR 91 HA 0.08 0.28 0.85 -0.75 4.39 4.85 2bhlA1 THR 91 HB 0.06 -0.01 0.13 -0.04 4.32 4.46 2bhlA1 THR 91 HG23 0.07 0.05 -0.08 -0.04 1.22 1.22 2bhlA1 PRO 92 HA 0.04 0.10 0.42 -0.51 4.44 4.50 2bhlA1 PRO 92 HB2 0.03 0.05 -0.01 -0.04 2.28 2.30 2bhlA1 PRO 92 HB3 0.02 0.07 0.12 -0.04 2.02 2.19 2bhlA1 PRO 92 HG2 0.03 0.02 0.06 -0.04 2.03 2.10 2bhlA1 PRO 92 HG3 0.03 0.10 0.08 -0.04 2.03 2.20 2bhlA1 PRO 92 HD2 0.05 0.10 0.20 -0.04 3.68 3.98 2bhlA1 PRO 92 HD3 0.04 0.23 0.23 -0.04 3.65 4.12 2bhlA1 GLU 93 H 0.06 0.14 -0.26 -0.55 8.60 7.98 2bhlA1 GLU 93 HA 0.05 0.08 0.42 -0.75 4.29 4.08 2bhlA1 GLU 93 HB2 0.05 -0.03 0.07 -0.04 2.09 2.14 2bhlA1 GLU 93 HB3 0.06 0.06 -0.10 -0.04 1.99 1.97 2bhlA1 GLU 93 HG2 0.04 0.01 0.12 -0.04 2.34 2.46 2bhlA1 GLU 93 HG3 0.03 -0.01 0.06 -0.04 2.34 2.38 2bhlA1 GLU 94 H 0.11 0.48 -0.68 -0.55 8.60 7.97 2bhlA1 GLU 94 HA 0.14 0.18 0.98 -0.75 4.29 4.84 2bhlA1 GLU 94 HB2 0.39 0.01 0.16 -0.04 2.09 2.60 2bhlA1 GLU 94 HB3 0.32 0.03 0.13 -0.04 1.99 2.42 2bhlA1 GLU 94 HG2 0.14 0.05 -0.20 -0.04 2.34 2.29 2bhlA1 GLU 94 HG3 0.17 0.02 -0.02 -0.04 2.34 2.47 2bhlA1 LYS 95 H 0.08 0.43 -0.13 -0.55 8.42 8.24 2bhlA1 LYS 95 HA 0.04 0.09 0.41 -0.75 4.32 4.11 2bhlA1 LYS 95 HB2 0.04 0.00 0.09 -0.04 1.87 1.96 2bhlA1 LYS 95 HB3 0.02 -0.01 0.07 -0.04 1.79 1.83 2bhlA1 LYS 95 HG2 0.03 -0.05 0.07 -0.04 1.46 1.46 2bhlA1 LYS 95 HG3 0.04 0.51 0.26 -0.04 1.46 2.22 2bhlA1 LYS 95 HD2 0.01 -0.00 0.04 -0.04 1.69 1.70 2bhlA1 LYS 95 HD3 -0.00 -0.02 0.03 -0.04 1.68 1.65 2bhlA1 LYS 95 HE2 0.00 -0.01 0.02 -0.04 2.99 2.96 2bhlA1 LYS 95 HE3 0.01 -0.02 0.07 -0.04 2.99 3.01 2bhlA1 LEU 96 H 0.09 0.12 -0.21 -0.55 8.37 7.83 2bhlA1 LEU 96 HA 0.09 0.16 0.67 -0.75 4.35 4.52 2bhlA1 LEU 96 HB2 0.07 0.02 0.05 -0.04 1.64 1.74 2bhlA1 LEU 96 HB3 0.09 0.03 0.06 -0.04 1.64 1.78 2bhlA1 LEU 96 HG 0.10 0.01 -0.20 -0.04 1.64 1.51 2bhlA1 LEU 96 HD13 0.08 -0.01 0.06 -0.04 0.93 1.01 2bhlA1 LEU 96 HD23 0.06 0.02 -0.02 -0.04 0.89 0.91 2bhlA1 LYS 97 H 0.18 0.13 -0.09 -0.55 8.42 8.10 2bhlA1 LYS 97 HA 0.28 0.10 0.45 -0.75 4.32 4.40 2bhlA1 LYS 97 HB2 0.39 0.05 0.14 -0.04 1.87 2.41 2bhlA1 LYS 97 HB3 0.57 0.06 0.01 -0.04 1.79 2.39 2bhlA1 LYS 97 HG2 0.12 -0.01 0.07 -0.04 1.46 1.60 2bhlA1 LYS 97 HG3 0.14 -0.02 0.09 -0.04 1.46 1.63 2bhlA1 LYS 97 HD2 0.03 0.01 0.07 -0.04 1.69 1.76 2bhlA1 LYS 97 HD3 -0.01 -0.00 0.05 -0.04 1.68 1.68 2bhlA1 LYS 97 HE2 -0.03 -0.08 0.04 -0.04 2.99 2.88 2bhlA1 LYS 97 HE3 -0.09 0.08 0.07 -0.04 2.99 3.01 2bhlA1 LEU 98 H 0.17 0.30 -0.45 -0.55 8.37 7.85 2bhlA1 LEU 98 HA 0.03 0.07 0.40 -0.75 4.35 4.09 2bhlA1 LEU 98 HB2 0.05 0.18 0.02 -0.04 1.64 1.85 2bhlA1 LEU 98 HB3 0.15 -0.03 -0.03 -0.04 1.64 1.69 2bhlA1 LEU 98 HG -0.40 0.04 0.02 -0.04 1.64 1.26 2bhlA1 LEU 98 HD13 -0.10 -0.02 -0.04 -0.04 0.93 0.74 2bhlA1 LEU 98 HD23 -0.72 -0.01 0.00 -0.04 0.89 0.12 2bhlA1 GLU 99 H 0.18 0.27 -0.34 -0.55 8.60 8.17 2bhlA1 GLU 99 HA 0.20 0.03 0.56 -0.75 4.29 4.33 2bhlA1 GLU 99 HB2 0.12 0.19 0.23 -0.04 2.09 2.59 2bhlA1 GLU 99 HB3 0.10 -0.03 0.05 -0.04 1.99 2.07 2bhlA1 GLU 99 HG2 0.08 0.22 0.18 -0.04 2.34 2.78 2bhlA1 GLU 99 HG3 0.06 -0.05 0.06 -0.04 2.34 2.37 2bhlA1 ASP 100 H 0.24 0.48 -0.04 -0.55 8.40 8.53 2bhlA1 ASP 100 HA 0.18 0.02 0.34 -0.75 4.63 4.42 2bhlA1 ASP 100 HB2 0.43 0.10 0.26 -0.04 2.71 3.47 2bhlA1 ASP 100 HB3 0.46 0.04 0.02 -0.04 2.70 3.18 2bhlA1 PHE 101 H 0.38 0.38 -0.34 -0.55 8.34 8.21 2bhlA1 PHE 101 HA -0.89 0.11 0.42 -0.75 4.62 3.50 2bhlA1 PHE 101 HB2 -0.16 0.04 0.07 -0.04 3.15 3.06 2bhlA1 PHE 101 HB3 -0.24 0.02 0.22 -0.04 3.06 3.02 2bhlA1 PHE 101 HD2 -1.61 0.03 -0.05 -0.04 7.28 5.62 2bhlA1 PHE 101 HE2 -0.35 0.01 -0.20 -0.04 7.38 6.80 2bhlA1 PHE 101 HZ -0.00 -0.02 -0.13 -0.04 7.32 7.13 2bhlA1 PHE 102 H 0.17 0.82 0.09 -0.55 8.34 8.86 2bhlA1 PHE 102 HA -0.20 -0.00 0.48 -0.75 4.62 4.14 2bhlA1 PHE 102 HB2 0.03 0.11 0.18 -0.04 3.15 3.42 2bhlA1 PHE 102 HB3 -0.02 -0.09 0.10 -0.04 3.06 3.01 2bhlA1 PHE 102 HD2 0.01 0.10 0.04 -0.04 7.28 7.39 2bhlA1 PHE 102 HE2 -0.15 -0.03 -0.06 -0.04 7.38 7.09 2bhlA1 PHE 102 HZ -0.34 0.01 -0.02 -0.04 7.32 6.94 2bhlA1 ALA 103 H 0.06 0.30 -0.88 -0.55 8.40 7.33 2bhlA1 ALA 103 HA 0.08 -0.02 0.54 -0.75 4.34 4.19 2bhlA1 ALA 103 HB3 0.09 0.06 0.09 -0.04 1.41 1.60 2bhlA1 ARG 104 H -0.14 0.52 -0.31 -0.55 8.46 7.98 2bhlA1 ARG 104 HA 0.20 0.13 0.87 -0.75 4.34 4.79 2bhlA1 ARG 104 HB2 -0.23 -0.06 0.16 -0.04 1.90 1.73 2bhlA1 ARG 104 HB3 -0.05 0.09 0.34 -0.04 1.80 2.13 2bhlA1 ARG 104 HG2 -0.02 -0.13 -0.18 -0.04 1.67 1.31 2bhlA1 ARG 104 HG3 -0.22 0.01 0.20 -0.04 1.67 1.62 2bhlA1 ARG 104 HD2 0.04 -0.07 0.05 -0.04 3.22 3.19 2bhlA1 ARG 104 HD3 -0.06 0.05 0.12 -0.04 3.22 3.29 2bhlA1 ASN 105 H -0.00 0.26 -0.31 -0.55 8.53 7.93 2bhlA1 ASN 105 HA 0.03 0.40 1.05 -0.75 4.76 5.49 2bhlA1 ASN 105 HB2 0.07 0.16 0.22 -0.04 2.88 3.29 2bhlA1 ASN 105 HB3 0.14 -0.12 0.01 -0.04 2.79 2.78 2bhlA1 ASN 105 HD21 -1.71 -0.05 -0.19 -0.04 7.03 5.04 2bhlA1 ASN 105 HD22 -0.72 0.16 0.01 -0.04 7.74 7.15 2bhlA1 SER 106 H 0.14 0.46 0.48 -0.55 8.46 8.99 2bhlA1 SER 106 HA 0.15 0.08 0.77 -0.75 4.49 4.73 2bhlA1 SER 106 HB2 0.10 -0.01 -0.08 -0.04 3.95 3.93 2bhlA1 SER 106 HB3 0.31 0.04 0.05 -0.04 3.93 4.29 2bhlA1 TYR 107 H 0.12 0.30 0.25 -0.55 8.29 8.41 2bhlA1 TYR 107 HA -0.02 0.24 0.91 -0.75 4.56 4.94 2bhlA1 TYR 107 HB2 0.01 -0.07 -0.26 -0.04 3.06 2.70 2bhlA1 TYR 107 HB3 -0.03 0.04 -0.05 -0.04 2.98 2.91 2bhlA1 TYR 107 HD2 -0.01 0.04 -0.13 -0.04 7.15 7.01 2bhlA1 TYR 107 HE2 -0.03 -0.03 -0.23 -0.04 6.85 6.51 2bhlA1 VAL 108 H -1.01 0.29 0.05 -0.55 8.24 7.02 2bhlA1 VAL 108 HA -0.20 0.10 0.64 -0.75 4.13 3.92 2bhlA1 VAL 108 HB -0.14 -0.03 0.07 -0.04 2.12 1.99 2bhlA1 VAL 108 HG13 -0.07 -0.02 -0.12 -0.04 0.97 0.71 2bhlA1 VAL 108 HG23 -0.43 0.01 -0.17 -0.04 0.95 0.32 2bhlA1 ALA 109 H -0.09 0.12 0.06 -0.55 8.40 7.94 2bhlA1 ALA 109 HA -0.33 0.10 0.50 -0.75 4.34 3.86 2bhlA1 ALA 109 HB3 0.04 0.01 0.07 -0.04 1.41 1.49 2bhlA1 GLY 110 H -0.42 0.63 0.58 -0.55 8.43 8.67 2bhlA1 GLY 110 HA2 -0.17 -0.04 0.40 -0.51 4.01 3.69 2bhlA1 GLY 110 HA3 -0.32 0.10 0.39 -0.51 4.01 3.66 2bhlA1 GLN 111 H -0.04 0.06 0.17 -0.55 8.47 8.11 2bhlA1 GLN 111 HA -0.28 0.17 0.78 -0.75 4.36 4.28 2bhlA1 GLN 111 HB2 0.04 -0.08 0.00 -0.04 2.15 2.08 2bhlA1 GLN 111 HB3 -0.02 -0.02 0.12 -0.04 2.02 2.06 2bhlA1 GLN 111 HG2 -0.06 0.08 -0.06 -0.04 2.40 2.32 2bhlA1 GLN 111 HG3 -0.04 -0.05 -0.00 -0.04 2.39 2.25 2bhlA1 GLN 111 HE21 0.01 0.05 -0.01 -0.04 6.97 6.98 2bhlA1 GLN 111 HE22 -0.01 0.03 -0.02 -0.04 7.69 7.64 2bhlA1 TYR 112 H 0.01 0.14 0.11 -0.55 8.29 7.99 2bhlA1 TYR 112 HA 0.32 0.28 0.74 -0.75 4.56 5.14 2bhlA1 TYR 112 HB2 0.12 -0.01 0.07 -0.04 3.06 3.20 2bhlA1 TYR 112 HB3 0.17 0.04 0.08 -0.04 2.98 3.22 2bhlA1 TYR 112 HD2 0.16 0.06 -0.08 -0.04 7.15 7.24 2bhlA1 TYR 112 HE2 0.20 0.02 -0.09 -0.04 6.85 6.94 2bhlA1 ASP 113 H 0.19 0.01 -0.19 -0.55 8.40 7.86 2bhlA1 ASP 113 HA 0.14 0.28 0.71 -0.75 4.63 5.01 2bhlA1 ASP 113 HB2 0.12 -0.02 -0.17 -0.04 2.71 2.60 2bhlA1 ASP 113 HB3 0.09 -0.01 0.12 -0.04 2.70 2.86 2bhlA1 ASP 114 H 0.28 0.33 -0.27 -0.55 8.40 8.19 2bhlA1 ASP 114 HA 0.09 0.23 0.75 -0.75 4.63 4.94 2bhlA1 ASP 114 HB2 0.07 0.10 -0.02 -0.04 2.71 2.83 2bhlA1 ASP 114 HB3 0.11 -0.08 0.14 -0.04 2.70 2.83 2bhlA1 ALA 115 H 0.08 0.28 0.06 -0.55 8.40 8.27 2bhlA1 ALA 115 HA 0.16 0.13 0.52 -0.75 4.34 4.40 2bhlA1 ALA 115 HB3 0.03 0.06 0.05 -0.04 1.41 1.51 2bhlA1 ALA 116 H 0.09 0.01 -0.30 -0.55 8.40 7.65 2bhlA1 ALA 116 HA 0.07 0.19 0.54 -0.75 4.34 4.38 2bhlA1 ALA 116 HB3 0.05 0.02 0.06 -0.04 1.41 1.50 2bhlA1 SER 117 H 0.11 0.03 -0.11 -0.55 8.46 7.94 2bhlA1 SER 117 HA 0.05 0.14 0.35 -0.75 4.49 4.28 2bhlA1 SER 117 HB2 0.12 0.19 0.13 -0.04 3.95 4.34 2bhlA1 SER 117 HB3 0.02 0.11 0.18 -0.04 3.93 4.20 2bhlA1 TYR 118 H 0.30 0.17 -0.40 -0.55 8.29 7.80 2bhlA1 TYR 118 HA 0.05 0.09 0.51 -0.75 4.56 4.47 2bhlA1 TYR 118 HB2 0.03 -0.00 0.07 -0.04 3.06 3.11 2bhlA1 TYR 118 HB3 -0.00 0.04 -0.09 -0.04 2.98 2.88 2bhlA1 TYR 118 HD2 -0.03 0.13 -0.06 -0.04 7.15 7.14 2bhlA1 TYR 118 HE2 -0.04 -0.05 -0.18 -0.04 6.85 6.54 2bhlA1 GLN 119 H 0.15 0.41 -0.20 -0.55 8.47 8.29 2bhlA1 GLN 119 HA 0.09 0.06 0.41 -0.75 4.36 4.17 2bhlA1 GLN 119 HB2 0.07 0.09 0.21 -0.04 2.15 2.49 2bhlA1 GLN 119 HB3 0.06 -0.03 0.08 -0.04 2.02 2.08 2bhlA1 GLN 119 HG2 0.07 0.07 0.10 -0.04 2.40 2.60 2bhlA1 GLN 119 HG3 0.05 -0.05 0.06 -0.04 2.39 2.40 2bhlA1 GLN 119 HE21 0.02 0.10 0.06 -0.04 6.97 7.11 2bhlA1 GLN 119 HE22 0.03 -0.00 0.02 -0.04 7.69 7.69 2bhlA1 ARG 120 H 0.10 0.16 -0.75 -0.55 8.46 7.42 2bhlA1 ARG 120 HA 0.07 0.04 0.38 -0.75 4.34 4.07 2bhlA1 ARG 120 HB2 0.07 0.25 0.15 -0.04 1.90 2.33 2bhlA1 ARG 120 HB3 0.05 -0.01 -0.08 -0.04 1.80 1.72 2bhlA1 ARG 120 HG2 0.04 -0.02 -0.01 -0.04 1.67 1.64 2bhlA1 ARG 120 HG3 0.04 0.04 -0.04 -0.04 1.67 1.67 2bhlA1 ARG 120 HD2 0.01 0.07 0.01 -0.04 3.22 3.27 2bhlA1 ARG 120 HD3 0.02 -0.04 -0.02 -0.04 3.22 3.13 2bhlA1 LEU 121 H 0.11 0.29 -0.04 -0.55 8.37 8.19 2bhlA1 LEU 121 HA 0.07 0.02 0.37 -0.75 4.35 4.05 2bhlA1 LEU 121 HB2 0.16 0.00 0.10 -0.04 1.64 1.87 2bhlA1 LEU 121 HB3 0.03 0.11 0.18 -0.04 1.64 1.92 2bhlA1 LEU 121 HG 0.08 0.05 -0.25 -0.04 1.64 1.48 2bhlA1 LEU 121 HD13 0.10 -0.01 -0.09 -0.04 0.93 0.89 2bhlA1 LEU 121 HD23 -0.31 -0.02 -0.07 -0.04 0.89 0.44 2bhlA1 ASN 122 H 0.10 0.51 -0.29 -0.55 8.53 8.30 2bhlA1 ASN 122 HA 0.10 0.06 0.22 -0.75 4.76 4.38 2bhlA1 ASN 122 HB2 0.09 0.05 -0.03 -0.04 2.88 2.95 2bhlA1 ASN 122 HB3 0.07 -0.09 0.10 -0.04 2.79 2.82 2bhlA1 ASN 122 HD21 0.03 0.11 -0.05 -0.04 7.03 7.09 2bhlA1 ASN 122 HD22 0.04 -0.08 -0.06 -0.04 7.74 7.61 2bhlA1 SER 123 H 0.06 0.39 -0.01 -0.55 8.46 8.35 2bhlA1 SER 123 HA 0.02 -0.01 0.33 -0.75 4.49 4.08 2bhlA1 SER 123 HB2 0.04 0.02 -0.05 -0.04 3.95 3.92 2bhlA1 SER 123 HB3 0.02 -0.04 0.08 -0.04 3.93 3.95 2bhlA1 HIS 124 H 0.15 0.40 -0.78 -0.55 8.41 7.63 2bhlA1 HIS 124 HA -0.02 -0.03 0.37 -0.75 4.63 4.20 2bhlA1 HIS 124 HB2 0.01 -0.01 0.08 -0.04 3.26 3.31 2bhlA1 HIS 124 HB3 0.02 0.40 0.18 -0.04 3.20 3.75 2bhlA1 HIS 124 HD2 -0.03 0.04 -0.44 -0.04 6.97 6.49 2bhlA1 HIS 124 HE1 0.01 -0.09 0.05 -0.04 7.75 7.68 2bhlA1 MET 125 H 0.15 0.62 0.16 -0.55 8.47 8.85 2bhlA1 MET 125 HA 0.02 -0.02 0.45 -0.75 4.52 4.22 2bhlA1 MET 125 HB2 0.04 0.04 -0.10 -0.04 2.15 2.09 2bhlA1 MET 125 HB3 0.02 -0.05 -0.02 -0.04 2.03 1.95 2bhlA1 MET 125 HG2 0.12 -0.11 -0.03 -0.04 2.63 2.57 2bhlA1 MET 125 HG3 0.11 0.29 0.06 -0.04 2.56 2.98 2bhlA1 MET 125 HE3 0.19 0.03 -0.15 -0.04 2.10 2.13 2bhlA1 ASN 126 H 0.01 0.52 -0.34 -0.55 8.53 8.17 2bhlA1 ASN 126 HA -0.03 -0.08 0.28 -0.75 4.76 4.17 2bhlA1 ASN 126 HB2 -0.00 -0.01 0.02 -0.04 2.88 2.84 2bhlA1 ASN 126 HB3 -0.02 -0.05 -0.02 -0.04 2.79 2.66 2bhlA1 ASN 126 HD21 0.02 0.06 -0.16 -0.04 7.03 6.91 2bhlA1 ASN 126 HD22 0.02 -0.09 -0.24 -0.04 7.74 7.39 2bhlA1 ALA 127 H -0.09 0.44 -0.40 -0.55 8.40 7.80 2bhlA1 ALA 127 HA -0.08 -0.03 0.54 -0.75 4.34 4.02 2bhlA1 ALA 127 HB3 -0.15 0.01 0.11 -0.04 1.41 1.33 2bhlA1 LEU 128 H -0.19 0.22 -0.27 -0.55 8.37 7.58 2bhlA1 LEU 128 HA -0.35 -0.00 0.43 -0.75 4.35 3.68 2bhlA1 LEU 128 HB2 -0.25 0.16 0.05 -0.04 1.64 1.56 2bhlA1 LEU 128 HB3 -0.94 -0.02 0.03 -0.04 1.64 0.66 2bhlA1 LEU 128 HG -0.23 0.17 0.16 -0.04 1.64 1.69 2bhlA1 LEU 128 HD13 -0.16 -0.02 -0.08 -0.04 0.93 0.62 2bhlA1 LEU 128 HD23 -0.44 -0.02 -0.08 -0.04 0.89 0.30 2bhlA1 HIS 129 H -0.09 0.13 0.11 -0.55 8.41 8.02 2bhlA1 HIS 129 HA -0.01 0.05 0.50 -0.75 4.63 4.41 2bhlA1 HIS 129 HB2 0.11 0.01 0.15 -0.04 3.26 3.50 2bhlA1 HIS 129 HB3 0.25 0.03 0.15 -0.04 3.20 3.59 2bhlA1 HIS 129 HD2 0.02 0.02 0.02 -0.04 6.97 6.98 2bhlA1 HIS 129 HE1 0.03 -0.01 -0.04 -0.04 7.75 7.69 2bhlA1 LEU 130 H -0.25 0.21 0.24 -0.55 8.37 8.02 2bhlA1 LEU 130 HA -0.15 -0.03 0.32 -0.75 4.35 3.73 2bhlA1 LEU 130 HB2 0.03 0.38 0.41 -0.04 1.64 2.42 2bhlA1 LEU 130 HB3 -0.05 -0.08 0.17 -0.04 1.64 1.64 2bhlA1 LEU 130 HG -0.25 -0.01 -0.37 -0.04 1.64 0.96 2bhlA1 LEU 130 HD13 0.03 0.00 -0.01 -0.04 0.93 0.91 2bhlA1 LEU 130 HD23 -0.22 -0.01 0.02 -0.04 0.89 0.64 2bhlA1 GLY 131 H -0.07 0.63 -0.31 -0.55 8.43 8.13 2bhlA1 GLY 131 HA2 -0.02 -0.01 0.09 -0.51 4.01 3.56 2bhlA1 GLY 131 HA3 -0.06 0.53 0.31 -0.51 4.01 4.28 2bhlA1 SER 132 H -0.05 0.13 -0.22 -0.55 8.46 7.76 2bhlA1 SER 132 HA -0.02 0.08 0.35 -0.75 4.49 4.14 2bhlA1 SER 132 HB2 -0.04 0.00 -0.06 -0.04 3.95 3.82 2bhlA1 SER 132 HB3 -0.02 -0.01 0.08 -0.04 3.93 3.94 2bhlA1 GLN 133 H -0.06 0.52 -0.37 -0.55 8.47 8.02 2bhlA1 GLN 133 HA -0.06 0.04 0.72 -0.75 4.36 4.30 2bhlA1 GLN 133 HB2 -0.06 0.04 -0.02 -0.04 2.15 2.07 2bhlA1 GLN 133 HB3 -0.05 -0.04 0.09 -0.04 2.02 1.97 2bhlA1 GLN 133 HG2 -0.06 -0.19 -0.05 -0.04 2.40 2.06 2bhlA1 GLN 133 HG3 -0.07 -0.03 0.07 -0.04 2.39 2.31 2bhlA1 GLN 133 HE21 -0.04 -0.01 -0.02 -0.04 6.97 6.86 2bhlA1 GLN 133 HE22 -0.06 -0.04 -0.02 -0.04 7.69 7.53 2bhlA1 ALA 134 H -0.07 0.28 -0.26 -0.55 8.40 7.80 2bhlA1 ALA 134 HA -0.19 0.11 0.47 -0.75 4.34 3.97 2bhlA1 ALA 134 HB3 -0.06 0.01 -0.15 -0.04 1.41 1.17 2bhlA1 ASN 135 H -0.48 0.57 0.39 -0.55 8.53 8.46 2bhlA1 ASN 135 HA -0.72 0.08 0.81 -0.75 4.76 4.17 2bhlA1 ASN 135 HB2 -1.40 0.07 0.22 -0.04 2.88 1.72 2bhlA1 ASN 135 HB3 -2.93 0.02 0.10 -0.04 2.79 -0.07 2bhlA1 ASN 135 HD21 -0.57 -0.01 0.03 -0.04 7.03 6.43 2bhlA1 ASN 135 HD22 -1.24 0.09 -0.03 -0.04 7.74 6.51 2bhlA1 ARG 136 H -0.11 0.83 0.39 -0.55 8.46 9.02 2bhlA1 ARG 136 HA -0.13 0.25 1.26 -0.75 4.34 4.96 2bhlA1 ARG 136 HB2 0.07 -0.05 0.13 -0.04 1.90 2.01 2bhlA1 ARG 136 HB3 -0.47 -0.05 0.01 -0.04 1.80 1.24 2bhlA1 ARG 136 HG2 -0.10 0.05 -0.35 -0.04 1.67 1.22 2bhlA1 ARG 136 HG3 -0.06 0.08 -0.33 -0.04 1.67 1.32 2bhlA1 ARG 136 HD2 0.14 -0.09 -0.11 -0.04 3.22 3.12 2bhlA1 ARG 136 HD3 0.04 -0.01 -0.10 -0.04 3.22 3.10 2bhlA1 LEU 137 H -0.21 0.55 0.34 -0.55 8.37 8.51 2bhlA1 LEU 137 HA -0.03 0.26 1.00 -0.75 4.35 4.83 2bhlA1 LEU 137 HB2 0.13 0.15 0.12 -0.04 1.64 2.00 2bhlA1 LEU 137 HB3 -0.12 -0.14 0.09 -0.04 1.64 1.43 2bhlA1 LEU 137 HG -0.16 -0.05 -0.11 -0.04 1.64 1.29 2bhlA1 LEU 137 HD13 0.12 0.06 -0.24 -0.04 0.93 0.83 2bhlA1 LEU 137 HD23 -0.62 -0.01 -0.16 -0.04 0.89 0.06 2bhlA1 PHE 138 H 0.08 0.66 0.31 -0.55 8.34 8.83 2bhlA1 PHE 138 HA -0.16 0.22 1.02 -0.75 4.62 4.94 2bhlA1 PHE 138 HB2 -0.14 -0.03 0.23 -0.04 3.15 3.17 2bhlA1 PHE 138 HB3 -0.11 -0.06 0.02 -0.04 3.06 2.87 2bhlA1 PHE 138 HD2 -0.04 0.04 -0.06 -0.04 7.28 7.18 2bhlA1 PHE 138 HE2 0.03 -0.03 -0.05 -0.04 7.38 7.29 2bhlA1 PHE 138 HZ 0.03 0.53 0.09 -0.04 7.32 7.94 2bhlA1 TYR 139 H -0.22 0.73 0.28 -0.55 8.29 8.52 2bhlA1 TYR 139 HA -0.09 0.11 0.88 -0.75 4.56 4.70 2bhlA1 TYR 139 HB2 -0.60 0.06 -0.04 -0.04 3.06 2.44 2bhlA1 TYR 139 HB3 -0.29 -0.09 0.10 -0.04 2.98 2.66 2bhlA1 TYR 139 HD2 0.12 -0.01 -0.33 -0.04 7.15 6.89 2bhlA1 TYR 139 HE2 0.18 -0.01 -0.16 -0.04 6.85 6.81 2bhlA1 LEU 140 H -0.33 0.58 0.24 -0.55 8.37 8.31 2bhlA1 LEU 140 HA 0.02 0.08 0.87 -0.75 4.35 4.57 2bhlA1 LEU 140 HB2 -0.24 0.02 0.32 -0.04 1.64 1.70 2bhlA1 LEU 140 HB3 -0.10 -0.11 0.03 -0.04 1.64 1.42 2bhlA1 LEU 140 HG -0.18 0.22 -0.06 -0.04 1.64 1.57 2bhlA1 LEU 140 HD13 -0.28 -0.02 -0.06 -0.04 0.93 0.53 2bhlA1 LEU 140 HD23 -0.05 -0.01 -0.22 -0.04 0.89 0.57 2bhlA1 ALA 141 H 0.12 0.88 0.24 -0.55 8.40 9.09 2bhlA1 ALA 141 HA 0.16 0.15 0.78 -0.75 4.34 4.67 2bhlA1 ALA 141 HB3 0.11 -0.04 0.00 -0.04 1.41 1.45 2bhlA1 LEU 142 H 0.13 0.21 -0.44 -0.55 8.37 7.73 2bhlA1 LEU 142 HA 0.02 0.14 0.94 -0.75 4.35 4.70 2bhlA1 LEU 142 HB2 -0.07 0.07 0.00 -0.04 1.64 1.59 2bhlA1 LEU 142 HB3 -0.20 -0.07 0.05 -0.04 1.64 1.38 2bhlA1 LEU 142 HG -0.01 -0.07 -0.27 -0.04 1.64 1.25 2bhlA1 LEU 142 HD13 0.07 0.02 -0.18 -0.04 0.93 0.79 2bhlA1 LEU 142 HD23 -0.43 -0.02 -0.20 -0.04 0.89 0.21 2bhlA1 PRO 143 HA -0.15 0.24 0.57 -0.51 4.44 4.59 2bhlA1 PRO 143 HB2 -0.08 -0.20 0.07 -0.04 2.28 2.03 2bhlA1 PRO 143 HB3 -0.06 0.12 0.16 -0.04 2.02 2.19 2bhlA1 PRO 143 HG2 0.01 0.03 0.11 -0.04 2.03 2.15 2bhlA1 PRO 143 HG3 -0.01 0.10 0.10 -0.04 2.03 2.18 2bhlA1 PRO 143 HD2 -0.04 0.04 0.23 -0.04 3.68 3.87 2bhlA1 PRO 143 HD3 0.01 0.17 0.25 -0.04 3.65 4.04 2bhlA1 PRO 144 HA -1.84 0.11 0.42 -0.51 4.44 2.62 2bhlA1 PRO 144 HB2 -0.22 -0.02 0.05 -0.04 2.28 2.05 2bhlA1 PRO 144 HB3 -0.44 0.15 0.19 -0.04 2.02 1.88 2bhlA1 PRO 144 HG2 -0.16 0.03 0.14 -0.04 2.03 2.00 2bhlA1 PRO 144 HG3 -0.41 0.22 0.12 -0.04 2.03 1.92 2bhlA1 PRO 144 HD2 -0.17 0.07 0.23 -0.04 3.68 3.78 2bhlA1 PRO 144 HD3 -0.23 0.19 0.30 -0.04 3.65 3.86 2bhlA1 THR 145 H -0.18 0.06 -0.46 -0.55 8.28 7.16 2bhlA1 THR 145 HA -0.07 0.15 0.53 -0.75 4.39 4.25 2bhlA1 THR 145 HB -0.02 0.04 0.03 -0.04 4.32 4.33 2bhlA1 THR 145 HG23 -0.03 0.01 0.01 -0.04 1.22 1.17 2bhlA1 VAL 146 H -0.09 0.27 -0.14 -0.55 8.24 7.72 2bhlA1 VAL 146 HA 0.02 0.09 0.53 -0.75 4.13 4.02 2bhlA1 VAL 146 HB -0.08 0.17 0.01 -0.04 2.12 2.18 2bhlA1 VAL 146 HG13 -0.18 -0.02 -0.01 -0.04 0.97 0.72 2bhlA1 VAL 146 HG23 0.02 -0.02 0.00 -0.04 0.95 0.91 2bhlA1 TYR 147 H 0.01 0.16 -0.40 -0.55 8.29 7.51 2bhlA1 TYR 147 HA -0.05 0.04 0.24 -0.75 4.56 4.04 2bhlA1 TYR 147 HB2 -0.03 0.14 0.07 -0.04 3.06 3.19 2bhlA1 TYR 147 HB3 -0.01 0.02 -0.04 -0.04 2.98 2.92 2bhlA1 TYR 147 HD2 -0.01 -0.08 -0.07 -0.04 7.15 6.95 2bhlA1 TYR 147 HE2 -0.07 0.13 -0.16 -0.04 6.85 6.71 2bhlA1 GLU 148 H 0.01 0.19 -0.36 -0.55 8.60 7.89 2bhlA1 GLU 148 HA -0.44 0.06 0.28 -0.75 4.29 3.43 2bhlA1 GLU 148 HB2 -0.09 0.09 0.08 -0.04 2.09 2.12 2bhlA1 GLU 148 HB3 -0.15 0.02 -0.02 -0.04 1.99 1.79 2bhlA1 GLU 148 HG2 -0.50 -0.00 0.01 -0.04 2.34 1.81 2bhlA1 GLU 148 HG3 -0.14 0.01 0.01 -0.04 2.34 2.18 2bhlA1 ALA 149 H -0.01 0.12 -0.09 -0.55 8.40 7.86 2bhlA1 ALA 149 HA 0.02 0.03 0.39 -0.75 4.34 4.03 2bhlA1 ALA 149 HB3 0.06 0.01 0.05 -0.04 1.41 1.49 2bhlA1 VAL 150 H 0.05 0.54 -0.10 -0.55 8.24 8.18 2bhlA1 VAL 150 HA 0.03 0.03 0.45 -0.75 4.13 3.90 2bhlA1 VAL 150 HB 0.02 0.08 0.02 -0.04 2.12 2.20 2bhlA1 VAL 150 HG13 0.06 -0.01 -0.17 -0.04 0.97 0.81 2bhlA1 VAL 150 HG23 0.04 0.02 0.00 -0.04 0.95 0.96 2bhlA1 THR 151 H 0.07 0.52 -0.07 -0.55 8.28 8.25 2bhlA1 THR 151 HA 0.06 0.01 0.33 -0.75 4.39 4.04 2bhlA1 THR 151 HB 0.42 0.01 -0.03 -0.04 4.32 4.68 2bhlA1 THR 151 HG23 -0.03 0.00 0.03 -0.04 1.22 1.18 2bhlA1 LYS 152 H 0.15 0.34 -0.39 -0.55 8.42 7.98 2bhlA1 LYS 152 HA 0.00 0.07 0.35 -0.75 4.32 3.99 2bhlA1 LYS 152 HB2 0.12 0.14 0.15 -0.04 1.87 2.25 2bhlA1 LYS 152 HB3 -0.02 -0.02 0.11 -0.04 1.79 1.81 2bhlA1 LYS 152 HG2 -0.02 0.01 -0.02 -0.04 1.46 1.39 2bhlA1 LYS 152 HG3 0.12 -0.00 -0.02 -0.04 1.46 1.52 2bhlA1 LYS 152 HD2 -0.02 -0.03 -0.10 -0.04 1.69 1.50 2bhlA1 LYS 152 HD3 0.00 -0.00 -0.05 -0.04 1.68 1.59 2bhlA1 LYS 152 HE2 0.05 0.04 -0.01 -0.04 2.99 3.03 2bhlA1 LYS 152 HE3 0.00 -0.05 -0.01 -0.04 2.99 2.90 2bhlA1 ASN 153 H -0.16 0.53 0.07 -0.55 8.53 8.42 2bhlA1 ASN 153 HA -0.25 0.00 0.43 -0.75 4.76 4.20 2bhlA1 ASN 153 HB2 -0.95 0.13 0.12 -0.04 2.88 2.14 2bhlA1 ASN 153 HB3 -1.56 -0.10 -0.01 -0.04 2.79 1.09 2bhlA1 ASN 153 HD21 -0.06 -0.16 -0.05 -0.04 7.03 6.72 2bhlA1 ASN 153 HD22 -0.22 0.24 -0.04 -0.04 7.74 7.68 2bhlA1 ILE 154 H -0.15 0.72 -0.28 -0.55 8.25 8.00 2bhlA1 ILE 154 HA -0.14 -0.10 0.32 -0.75 4.18 3.51 2bhlA1 ILE 154 HB -0.04 0.13 0.04 -0.04 1.89 1.98 2bhlA1 ILE 154 HG12 -0.14 -0.09 -0.07 -0.04 1.49 1.15 2bhlA1 ILE 154 HG13 -0.09 0.28 -0.08 -0.04 1.21 1.28 2bhlA1 ILE 154 HG23 -0.81 0.01 -0.21 -0.04 0.93 -0.12 2bhlA1 ILE 154 HD13 -0.44 -0.02 -0.13 -0.04 0.88 0.24 2bhlA1 HIS 155 H 0.07 0.49 -0.22 -0.55 8.41 8.19 2bhlA1 HIS 155 HA -0.16 0.05 0.40 -0.75 4.63 4.16 2bhlA1 HIS 155 HB2 -0.34 0.07 0.12 -0.04 3.26 3.06 2bhlA1 HIS 155 HB3 -0.20 0.04 0.10 -0.04 3.20 3.10 2bhlA1 HIS 155 HD2 -1.34 -0.08 -0.15 -0.04 6.97 5.36 2bhlA1 HIS 155 HE1 -0.16 -0.06 0.03 -0.04 7.75 7.51 2bhlA1 GLU 156 H -0.05 0.27 -0.28 -0.55 8.60 8.00 2bhlA1 GLU 156 HA -0.01 0.08 0.42 -0.75 4.29 4.02 2bhlA1 GLU 156 HB2 -0.05 0.08 -0.01 -0.04 2.09 2.06 2bhlA1 GLU 156 HB3 -0.10 -0.07 0.05 -0.04 1.99 1.84 2bhlA1 GLU 156 HG2 -0.03 -0.07 -0.05 -0.04 2.34 2.14 2bhlA1 GLU 156 HG3 -0.02 0.04 0.07 -0.04 2.34 2.39 2bhlA1 SER 157 H -0.06 0.39 -0.22 -0.55 8.46 8.02 2bhlA1 SER 157 HA -0.00 0.21 0.93 -0.75 4.49 4.87 2bhlA1 SER 157 HB2 0.09 -0.05 -0.10 -0.04 3.95 3.85 2bhlA1 SER 157 HB3 0.04 -0.02 -0.03 -0.04 3.93 3.88 2bhlA1 CYS 158 H 0.04 0.12 0.09 -0.55 8.50 8.20 2bhlA1 CYS 158 HA 0.11 0.08 0.27 -0.75 4.58 4.28 2bhlA1 CYS 158 HB2 0.09 -0.01 0.11 -0.04 2.97 3.12 2bhlA1 CYS 158 HB3 0.26 -0.00 0.08 -0.04 2.97 3.27 2bhlA1 MET 159 H 0.02 0.48 -0.37 -0.55 8.47 8.05 2bhlA1 MET 159 HA 0.16 0.09 0.83 -0.75 4.52 4.85 2bhlA1 MET 159 HB2 -0.08 0.03 -0.07 -0.04 2.15 1.98 2bhlA1 MET 159 HB3 -0.04 0.07 -0.07 -0.04 2.03 1.96 2bhlA1 MET 159 HG2 -0.08 0.21 -0.28 -0.04 2.63 2.44 2bhlA1 MET 159 HG3 -0.25 0.01 -0.00 -0.04 2.56 2.28 2bhlA1 MET 159 HE3 -0.15 0.03 -0.01 -0.04 2.10 1.93 2bhlA1 SER 160 H 0.11 0.09 0.09 -0.55 8.46 8.20 2bhlA1 SER 160 HA 0.02 0.13 0.60 -0.75 4.49 4.48 2bhlA1 SER 160 HB2 0.05 -0.02 -0.03 -0.04 3.95 3.91 2bhlA1 SER 160 HB3 0.02 0.07 -0.19 -0.04 3.93 3.79 2bhlA1 GLN 161 H -0.01 0.07 0.26 -0.55 8.47 8.26 2bhlA1 GLN 161 HA -0.00 0.21 0.87 -0.75 4.36 4.69 2bhlA1 GLN 161 HB2 -0.01 -0.01 0.04 -0.04 2.15 2.13 2bhlA1 GLN 161 HB3 -0.01 -0.03 0.10 -0.04 2.02 2.03 2bhlA1 GLN 161 HG2 -0.01 0.02 -0.38 -0.04 2.40 1.99 2bhlA1 GLN 161 HG3 -0.01 -0.04 -0.04 -0.04 2.39 2.26 2bhlA1 GLN 161 HE21 -0.06 -0.04 -0.07 -0.04 6.97 6.76 2bhlA1 GLN 161 HE22 -0.04 0.10 -0.27 -0.04 7.69 7.45 2bhlA1 ILE 162 H -0.02 -0.03 0.23 -0.55 8.25 7.88 2bhlA1 ILE 162 HA -0.01 0.15 0.92 -0.75 4.18 4.48 2bhlA1 ILE 162 HB -0.05 0.09 0.23 -0.04 1.89 2.12 2bhlA1 ILE 162 HG12 -0.02 -0.04 -0.08 -0.04 1.49 1.31 2bhlA1 ILE 162 HG13 -0.02 -0.07 0.11 -0.04 1.21 1.19 2bhlA1 ILE 162 HG23 -0.03 -0.02 0.06 -0.04 0.93 0.89 2bhlA1 ILE 162 HD13 -0.03 -0.03 -0.37 -0.04 0.88 0.41 2bhlA1 GLY 163 H -0.05 -0.03 -0.01 -0.55 8.43 7.79 2bhlA1 GLY 163 HA2 -0.10 0.15 0.78 -0.51 4.01 4.33 2bhlA1 GLY 163 HA3 -0.22 0.21 0.16 -0.51 4.01 3.65 2bhlA1 TRP 164 H -0.41 0.11 0.16 -0.55 7.97 7.29 2bhlA1 TRP 164 HA 0.02 0.20 0.85 -0.75 4.62 4.94 2bhlA1 TRP 164 HB2 0.03 0.03 0.05 -0.04 3.23 3.29 2bhlA1 TRP 164 HB3 0.02 0.00 0.04 -0.04 3.23 3.25 2bhlA1 TRP 164 HD1 0.03 -0.03 0.01 -0.04 7.22 7.19 2bhlA1 TRP 164 HE1 0.09 0.07 0.00 -0.04 10.20 10.32 2bhlA1 TRP 164 HE3 -0.02 -0.00 -0.54 -0.04 7.59 6.99 2bhlA1 TRP 164 HZ2 0.34 0.18 0.02 -0.04 7.44 7.95 2bhlA1 TRP 164 HZ3 -0.10 0.00 -0.35 -0.04 7.13 6.64 2bhlA1 TRP 164 HH2 0.08 -0.04 -0.15 -0.04 7.19 7.04 2bhlA1 ASN 165 H 0.33 0.21 0.18 -0.55 8.53 8.71 2bhlA1 ASN 165 HA 0.39 0.25 1.02 -0.75 4.76 5.67 2bhlA1 ASN 165 HB2 0.24 -0.02 0.15 -0.04 2.88 3.21 2bhlA1 ASN 165 HB3 0.34 -0.00 0.00 -0.04 2.79 3.09 2bhlA1 ASN 165 HD21 0.09 0.14 0.03 -0.04 7.03 7.24 2bhlA1 ASN 165 HD22 0.12 0.01 0.00 -0.04 7.74 7.82 2bhlA1 ARG 166 H 0.28 0.68 0.35 -0.55 8.46 9.22 2bhlA1 ARG 166 HA 0.03 0.23 1.02 -0.75 4.34 4.87 2bhlA1 ARG 166 HB2 -0.34 -0.01 0.07 -0.04 1.90 1.58 2bhlA1 ARG 166 HB3 -0.50 -0.03 -0.03 -0.04 1.80 1.19 2bhlA1 ARG 166 HG2 -0.14 0.08 -0.00 -0.04 1.67 1.56 2bhlA1 ARG 166 HG3 -0.17 -0.04 -0.44 -0.04 1.67 0.97 2bhlA1 ARG 166 HD2 -1.60 -0.01 -0.11 -0.04 3.22 1.46 2bhlA1 ARG 166 HD3 -1.09 0.02 -0.04 -0.04 3.22 2.08 2bhlA1 ILE 167 H -0.08 0.83 0.32 -0.55 8.25 8.78 2bhlA1 ILE 167 HA -0.05 0.17 1.12 -0.75 4.18 4.66 2bhlA1 ILE 167 HB -0.43 -0.03 0.12 -0.04 1.89 1.52 2bhlA1 ILE 167 HG12 -0.51 0.04 -0.20 -0.04 1.49 0.77 2bhlA1 ILE 167 HG13 -1.03 -0.03 -0.08 -0.04 1.21 0.03 2bhlA1 ILE 167 HG23 -0.30 -0.02 -0.19 -0.04 0.93 0.38 2bhlA1 ILE 167 HD13 -0.06 0.06 -0.15 -0.04 0.88 0.69 2bhlA1 ILE 168 H -0.17 0.73 0.27 -0.55 8.25 8.53 2bhlA1 ILE 168 HA -0.11 0.22 0.88 -0.75 4.18 4.42 2bhlA1 ILE 168 HB -0.46 -0.07 0.22 -0.04 1.89 1.54 2bhlA1 ILE 168 HG12 -0.14 0.05 -0.08 -0.04 1.49 1.27 2bhlA1 ILE 168 HG13 -0.22 0.01 -0.20 -0.04 1.21 0.76 2bhlA1 ILE 168 HG23 -0.41 -0.01 -0.18 -0.04 0.93 0.29 2bhlA1 ILE 168 HD13 0.18 -0.01 -0.11 -0.04 0.88 0.89 2bhlA1 VAL 169 H -0.05 0.49 0.19 -0.55 8.24 8.32 2bhlA1 VAL 169 HA -0.26 0.12 0.97 -0.75 4.13 4.21 2bhlA1 VAL 169 HB 0.22 -0.07 -0.04 -0.04 2.12 2.19 2bhlA1 VAL 169 HG13 -0.34 0.03 -0.02 -0.04 0.97 0.59 2bhlA1 VAL 169 HG23 -0.11 0.01 -0.15 -0.04 0.95 0.66 2bhlA1 GLU 170 H -0.14 0.22 0.18 -0.55 8.60 8.32 2bhlA1 GLU 170 HA 0.15 0.10 0.99 -0.75 4.29 4.78 2bhlA1 GLU 170 HB2 0.03 0.06 0.05 -0.04 2.09 2.20 2bhlA1 GLU 170 HB3 0.07 0.17 0.03 -0.04 1.99 2.22 2bhlA1 GLU 170 HG2 0.19 -0.11 0.12 -0.04 2.34 2.49 2bhlA1 GLU 170 HG3 0.24 0.00 -0.04 -0.04 2.34 2.50 2bhlA1 LYS 171 H -0.13 0.08 0.17 -0.55 8.42 7.98 2bhlA1 LYS 171 HA -1.05 0.02 0.40 -0.75 4.32 2.94 2bhlA1 LYS 171 HB2 -0.28 -0.06 0.19 -0.04 1.87 1.68 2bhlA1 LYS 171 HB3 -0.30 0.07 0.16 -0.04 1.79 1.67 2bhlA1 LYS 171 HG2 0.01 -0.04 0.09 -0.04 1.46 1.48 2bhlA1 LYS 171 HG3 -0.11 0.02 -0.13 -0.04 1.46 1.20 2bhlA1 LYS 171 HD2 -0.16 0.02 -0.04 -0.04 1.69 1.46 2bhlA1 LYS 171 HD3 -0.10 0.02 0.04 -0.04 1.68 1.60 2bhlA1 LYS 171 HE2 0.10 -0.08 0.03 -0.04 2.99 3.01 2bhlA1 LYS 171 HE3 -0.02 -0.02 0.00 -0.04 2.99 2.92 2bhlA1 PRO 172 HA -0.31 -0.01 0.44 -0.51 4.44 4.06 2bhlA1 PRO 172 HB2 0.13 0.04 -0.16 -0.04 2.28 2.25 2bhlA1 PRO 172 HB3 -0.09 0.09 0.02 -0.04 2.02 2.00 2bhlA1 PRO 172 HG2 -0.09 -0.01 0.05 -0.04 2.03 1.94 2bhlA1 PRO 172 HG3 -0.59 0.05 0.01 -0.04 2.03 1.46 2bhlA1 PRO 172 HD2 -0.18 0.01 0.32 -0.04 3.68 3.80 2bhlA1 PRO 172 HD3 -0.22 0.14 0.28 -0.04 3.65 3.81 2bhlA1 PHE 173 H -0.01 0.17 0.03 -0.55 8.34 7.98 2bhlA1 PHE 173 HA 0.22 0.15 0.60 -0.75 4.62 4.84 2bhlA1 PHE 173 HB2 0.33 0.03 0.15 -0.04 3.15 3.62 2bhlA1 PHE 173 HB3 0.21 0.01 0.08 -0.04 3.06 3.31 2bhlA1 PHE 173 HD2 0.11 0.02 -0.09 -0.04 7.28 7.28 2bhlA1 PHE 173 HE2 0.03 0.06 -0.23 -0.04 7.38 7.20 2bhlA1 PHE 173 HZ 0.07 -0.14 0.05 -0.04 7.32 7.27 2bhlA1 GLY 174 H 0.16 0.33 -0.34 -0.55 8.43 8.03 2bhlA1 GLY 174 HA2 0.01 0.00 0.23 -0.51 4.01 3.75 2bhlA1 GLY 174 HA3 -0.05 0.07 0.31 -0.51 4.01 3.82 2bhlA1 ARG 175 H -0.18 0.01 0.12 -0.55 8.46 7.85 2bhlA1 ARG 175 HA -0.12 0.22 0.72 -0.75 4.34 4.41 2bhlA1 ARG 175 HB2 -0.26 0.10 0.06 -0.04 1.90 1.76 2bhlA1 ARG 175 HB3 -0.16 -0.07 0.13 -0.04 1.80 1.65 2bhlA1 ARG 175 HG2 -0.16 -0.09 -0.00 -0.04 1.67 1.37 2bhlA1 ARG 175 HG3 -0.16 0.03 -0.07 -0.04 1.67 1.43 2bhlA1 ARG 175 HD2 -0.24 -0.02 0.02 -0.04 3.22 2.95 2bhlA1 ARG 175 HD3 -0.14 -0.01 0.01 -0.04 3.22 3.03 2bhlA1 ASP 176 H -0.45 -0.07 0.15 -0.55 8.40 7.49 2bhlA1 ASP 176 HA -0.82 0.35 0.86 -0.75 4.63 4.26 2bhlA1 ASP 176 HB2 -0.12 -0.13 0.12 -0.04 2.71 2.54 2bhlA1 ASP 176 HB3 -0.06 0.19 0.03 -0.04 2.70 2.81 2bhlA1 LEU 177 H -0.23 0.26 0.14 -0.55 8.37 7.99 2bhlA1 LEU 177 HA -0.13 0.14 0.43 -0.75 4.35 4.03 2bhlA1 LEU 177 HB2 0.10 0.09 -0.07 -0.04 1.64 1.72 2bhlA1 LEU 177 HB3 -0.02 -0.05 0.10 -0.04 1.64 1.63 2bhlA1 LEU 177 HG 0.02 -0.03 -0.23 -0.04 1.64 1.36 2bhlA1 LEU 177 HD13 0.13 0.01 0.07 -0.04 0.93 1.10 2bhlA1 LEU 177 HD23 0.04 0.02 -0.02 -0.04 0.89 0.89 2bhlA1 GLN 178 H -0.09 0.10 -0.14 -0.55 8.47 7.79 2bhlA1 GLN 178 HA -0.04 0.14 0.43 -0.75 4.36 4.14 2bhlA1 GLN 178 HB2 -0.04 -0.07 0.06 -0.04 2.15 2.05 2bhlA1 GLN 178 HB3 -0.04 0.07 -0.08 -0.04 2.02 1.93 2bhlA1 GLN 178 HG2 -0.01 0.06 0.02 -0.04 2.40 2.42 2bhlA1 GLN 178 HG3 -0.00 -0.02 0.01 -0.04 2.39 2.34 2bhlA1 GLN 178 HE21 0.01 0.04 -0.01 -0.04 6.97 6.97 2bhlA1 GLN 178 HE22 0.01 0.02 -0.01 -0.04 7.69 7.67 2bhlA1 SER 179 H -0.19 -0.05 -0.28 -0.55 8.46 7.40 2bhlA1 SER 179 HA -0.09 0.12 0.47 -0.75 4.49 4.24 2bhlA1 SER 179 HB2 -0.28 -0.30 0.30 -0.04 3.95 3.63 2bhlA1 SER 179 HB3 -0.22 -0.01 0.09 -0.04 3.93 3.76 2bhlA1 SER 180 H -0.35 0.92 0.02 -0.55 8.46 8.51 2bhlA1 SER 180 HA 0.03 -0.01 0.34 -0.75 4.49 4.10 2bhlA1 SER 180 HB2 0.17 0.38 0.10 -0.04 3.95 4.55 2bhlA1 SER 180 HB3 -0.49 0.06 0.07 -0.04 3.93 3.53 2bhlA1 ASP 181 H -0.05 0.48 -0.29 -0.55 8.40 7.99 2bhlA1 ASP 181 HA 0.03 0.00 0.30 -0.75 4.63 4.21 2bhlA1 ASP 181 HB2 -0.02 0.08 0.19 -0.04 2.71 2.92 2bhlA1 ASP 181 HB3 0.01 -0.02 -0.02 -0.04 2.70 2.62 2bhlA1 ARG 182 H -0.01 0.38 -0.33 -0.55 8.46 7.93 2bhlA1 ARG 182 HA 0.02 0.04 0.38 -0.75 4.34 4.03 2bhlA1 ARG 182 HB2 -0.02 0.17 0.25 -0.04 1.90 2.25 2bhlA1 ARG 182 HB3 0.00 -0.04 0.01 -0.04 1.80 1.73 2bhlA1 ARG 182 HG2 0.00 -0.02 0.03 -0.04 1.67 1.65 2bhlA1 ARG 182 HG3 -0.01 0.01 0.04 -0.04 1.67 1.67 2bhlA1 ARG 182 HD2 -0.03 -0.02 0.04 -0.04 3.22 3.17 2bhlA1 ARG 182 HD3 -0.02 -0.02 0.01 -0.04 3.22 3.15 2bhlA1 LEU 183 H 0.04 0.37 -0.09 -0.55 8.37 8.15 2bhlA1 LEU 183 HA 0.08 0.00 0.42 -0.75 4.35 4.10 2bhlA1 LEU 183 HB2 0.09 0.03 0.11 -0.04 1.64 1.84 2bhlA1 LEU 183 HB3 0.14 0.07 0.06 -0.04 1.64 1.88 2bhlA1 LEU 183 HG 0.19 -0.01 -0.10 -0.04 1.64 1.68 2bhlA1 LEU 183 HD13 0.12 -0.02 0.01 -0.04 0.93 1.01 2bhlA1 LEU 183 HD23 0.35 -0.01 -0.01 -0.04 0.89 1.18 2bhlA1 SER 184 H 0.08 0.80 -0.01 -0.55 8.46 8.79 2bhlA1 SER 184 HA 0.06 -0.02 0.33 -0.75 4.49 4.12 2bhlA1 SER 184 HB2 0.06 0.27 0.06 -0.04 3.95 4.30 2bhlA1 SER 184 HB3 0.04 0.01 -0.16 -0.04 3.93 3.78 2bhlA1 ASN 185 H 0.06 0.47 -0.43 -0.55 8.53 8.08 2bhlA1 ASN 185 HA 0.02 0.03 0.46 -0.75 4.76 4.51 2bhlA1 ASN 185 HB2 0.04 0.15 0.16 -0.04 2.88 3.19 2bhlA1 ASN 185 HB3 0.02 -0.06 -0.02 -0.04 2.79 2.69 2bhlA1 ASN 185 HD21 0.01 -0.12 -0.04 -0.04 7.03 6.84 2bhlA1 ASN 185 HD22 0.01 -0.05 -0.12 -0.04 7.74 7.55 2bhlA1 HIS 186 H 0.15 0.44 -0.12 -0.55 8.41 8.34 2bhlA1 HIS 186 HA -0.00 0.05 0.43 -0.75 4.63 4.35 2bhlA1 HIS 186 HB2 0.02 0.02 0.14 -0.04 3.26 3.39 2bhlA1 HIS 186 HB3 0.04 0.08 0.27 -0.04 3.20 3.55 2bhlA1 HIS 186 HD2 0.06 -0.03 -0.13 -0.04 6.97 6.83 2bhlA1 HIS 186 HE1 -0.01 -0.03 -0.06 -0.04 7.75 7.60 2bhlA1 ILE 187 H 0.23 0.53 0.04 -0.55 8.25 8.50 2bhlA1 ILE 187 HA 0.19 -0.00 0.33 -0.75 4.18 3.95 2bhlA1 ILE 187 HB 0.08 0.07 0.04 -0.04 1.89 2.04 2bhlA1 ILE 187 HG12 0.20 -0.05 0.01 -0.04 1.49 1.61 2bhlA1 ILE 187 HG13 0.19 0.34 0.11 -0.04 1.21 1.81 2bhlA1 ILE 187 HG23 0.03 -0.01 -0.12 -0.04 0.93 0.79 2bhlA1 ILE 187 HD13 0.05 -0.03 -0.11 -0.04 0.88 0.74 2bhlA1 SER 188 H 0.04 0.45 -0.39 -0.55 8.46 8.01 2bhlA1 SER 188 HA 0.05 0.33 0.59 -0.75 4.49 4.70 2bhlA1 SER 188 HB2 0.01 0.13 0.15 -0.04 3.95 4.20 2bhlA1 SER 188 HB3 -0.00 -0.08 0.08 -0.04 3.93 3.88 2bhlA1 SER 189 H -0.08 0.50 -0.47 -0.55 8.46 7.87 2bhlA1 SER 189 HA -0.10 -0.01 0.55 -0.75 4.49 4.18 2bhlA1 SER 189 HB2 -0.13 -0.15 0.12 -0.04 3.95 3.76 2bhlA1 SER 189 HB3 -0.12 0.21 0.30 -0.04 3.93 4.28 2bhlA1 LEU 190 H -0.17 0.21 -0.33 -0.55 8.37 7.53 2bhlA1 LEU 190 HA -0.71 0.15 0.84 -0.75 4.35 3.86 2bhlA1 LEU 190 HB2 -0.45 0.02 0.07 -0.04 1.64 1.24 2bhlA1 LEU 190 HB3 -1.10 -0.02 0.01 -0.04 1.64 0.48 2bhlA1 LEU 190 HG -0.46 0.08 -0.14 -0.04 1.64 1.07 2bhlA1 LEU 190 HD13 -0.19 -0.01 -0.28 -0.04 0.93 0.41 2bhlA1 LEU 190 HD23 -0.50 0.00 -0.11 -0.04 0.89 0.24 2bhlA1 PHE 191 H 0.13 0.72 0.28 -0.55 8.34 8.92 2bhlA1 PHE 191 HA 0.05 0.16 0.86 -0.75 4.62 4.94 2bhlA1 PHE 191 HB2 -0.01 -0.01 -0.04 -0.04 3.15 3.05 2bhlA1 PHE 191 HB3 0.02 -0.05 0.01 -0.04 3.06 3.00 2bhlA1 PHE 191 HD2 -0.00 0.13 0.02 -0.04 7.28 7.38 2bhlA1 PHE 191 HE2 -0.05 -0.04 -0.11 -0.04 7.38 7.14 2bhlA1 PHE 191 HZ -0.08 0.04 -0.05 -0.04 7.32 7.19 2bhlA1 ARG 192 H 0.14 0.12 0.13 -0.55 8.46 8.29 2bhlA1 ARG 192 HA 0.03 0.23 0.67 -0.75 4.34 4.52 2bhlA1 ARG 192 HB2 0.03 -0.14 0.02 -0.04 1.90 1.77 2bhlA1 ARG 192 HB3 0.01 -0.02 0.17 -0.04 1.80 1.92 2bhlA1 ARG 192 HG2 0.03 0.12 -0.03 -0.04 1.67 1.74 2bhlA1 ARG 192 HG3 0.06 0.04 0.08 -0.04 1.67 1.82 2bhlA1 ARG 192 HD2 0.01 -0.07 0.03 -0.04 3.22 3.16 2bhlA1 ARG 192 HD3 0.02 0.07 0.01 -0.04 3.22 3.27 2bhlA1 GLU 193 H -0.01 0.17 0.20 -0.55 8.60 8.40 2bhlA1 GLU 193 HA -0.05 0.16 0.58 -0.75 4.29 4.22 2bhlA1 GLU 193 HB2 -0.04 0.00 0.20 -0.04 2.09 2.21 2bhlA1 GLU 193 HB3 -0.08 0.04 0.05 -0.04 1.99 1.95 2bhlA1 GLU 193 HG2 -0.04 0.08 0.06 -0.04 2.34 2.41 2bhlA1 GLU 193 HG3 -0.05 -0.04 0.10 -0.04 2.34 2.30 2bhlA1 ASP 194 H -0.03 0.07 -0.03 -0.55 8.40 7.86 2bhlA1 ASP 194 HA -0.13 0.13 0.44 -0.75 4.63 4.32 2bhlA1 ASP 194 HB2 -0.04 0.09 0.14 -0.04 2.71 2.85 2bhlA1 ASP 194 HB3 -0.05 -0.06 0.08 -0.04 2.70 2.63 2bhlA1 GLN 195 H 0.00 0.01 -1.04 -0.55 8.47 6.89 2bhlA1 GLN 195 HA 0.09 0.26 0.89 -0.75 4.36 4.84 2bhlA1 GLN 195 HB2 0.15 0.07 0.04 -0.04 2.15 2.37 2bhlA1 GLN 195 HB3 0.19 -0.01 0.07 -0.04 2.02 2.23 2bhlA1 GLN 195 HG2 0.12 0.21 0.02 -0.04 2.40 2.70 2bhlA1 GLN 195 HG3 0.10 -0.20 -0.14 -0.04 2.39 2.11 2bhlA1 GLN 195 HE21 0.16 0.01 0.06 -0.04 6.97 7.17 2bhlA1 GLN 195 HE22 0.19 0.13 0.20 -0.04 7.69 8.17 2bhlA1 ILE 196 H -0.05 0.10 0.01 -0.55 8.25 7.76 2bhlA1 ILE 196 HA -0.06 0.15 0.83 -0.75 4.18 4.34 2bhlA1 ILE 196 HB -0.08 -0.04 0.20 -0.04 1.89 1.92 2bhlA1 ILE 196 HG12 -0.06 -0.06 -0.09 -0.04 1.49 1.24 2bhlA1 ILE 196 HG13 -0.01 0.01 -0.17 -0.04 1.21 0.99 2bhlA1 ILE 196 HG23 -0.10 -0.04 -0.21 -0.04 0.93 0.53 2bhlA1 ILE 196 HD13 0.03 0.01 -0.30 -0.04 0.88 0.57 2bhlA1 TYR 197 H 0.02 0.65 0.25 -0.55 8.29 8.66 2bhlA1 TYR 197 HA -0.29 0.17 0.87 -0.75 4.56 4.56 2bhlA1 TYR 197 HB2 -0.33 0.01 -0.00 -0.04 3.06 2.70 2bhlA1 TYR 197 HB3 -0.69 -0.04 -0.03 -0.04 2.98 2.18 2bhlA1 TYR 197 HD2 -1.26 -0.01 -0.44 -0.04 7.15 5.39 2bhlA1 TYR 197 HE2 -0.37 0.10 -0.33 -0.04 6.85 6.22 2bhlA1 ARG 198 H -0.06 0.27 -0.01 -0.55 8.46 8.11 2bhlA1 ARG 198 HA 0.10 0.21 0.69 -0.75 4.34 4.58 2bhlA1 ARG 198 HB2 -0.17 0.23 0.18 -0.04 1.90 2.10 2bhlA1 ARG 198 HB3 -0.60 -0.07 0.00 -0.04 1.80 1.09 2bhlA1 ARG 198 HG2 -0.19 -0.05 -0.09 -0.04 1.67 1.30 2bhlA1 ARG 198 HG3 -0.19 0.07 -0.04 -0.04 1.67 1.47 2bhlA1 ARG 198 HD2 -0.47 0.03 -0.16 -0.04 3.22 2.58 2bhlA1 ARG 198 HD3 -1.06 -0.05 -0.09 -0.04 3.22 1.98 2bhlA1 ILE 199 H 0.49 0.39 0.31 -0.55 8.25 8.89 2bhlA1 ILE 199 HA 0.23 0.26 1.08 -0.75 4.18 5.00 2bhlA1 ILE 199 HB 0.28 0.11 0.11 -0.04 1.89 2.34 2bhlA1 ILE 199 HG12 0.18 -0.02 -0.13 -0.04 1.49 1.49 2bhlA1 ILE 199 HG13 0.45 0.13 -0.28 -0.04 1.21 1.47 2bhlA1 ILE 199 HG23 0.22 -0.06 -0.30 -0.04 0.93 0.74 2bhlA1 ILE 199 HD13 0.36 -0.01 -0.15 -0.04 0.88 1.04 2bhlA1 ASP 200 H 0.02 0.37 -0.01 -0.55 8.40 8.23 2bhlA1 ASP 200 HA 0.19 0.10 0.68 -0.75 4.63 4.84 2bhlA1 ASP 200 HB2 0.10 0.09 -0.16 -0.04 2.71 2.70 2bhlA1 ASP 200 HB3 0.01 0.06 0.09 -0.04 2.70 2.83 2bhlA1 HIS 201 H 0.24 0.22 0.03 -0.55 8.41 8.36 2bhlA1 HIS 201 HA -0.26 0.15 0.30 -0.75 4.63 4.06 2bhlA1 HIS 201 HB2 -0.30 -0.05 0.03 -0.04 3.26 2.90 2bhlA1 HIS 201 HB3 -0.41 0.05 0.05 -0.04 3.20 2.84 2bhlA1 HIS 201 HD2 -0.02 -0.02 -0.13 -0.04 6.97 6.76 2bhlA1 HIS 201 HE1 0.30 0.06 0.00 -0.04 7.75 8.07 2bhlA1 TYR 202 H -0.34 0.07 -0.47 -0.55 8.29 7.00 2bhlA1 TYR 202 HA -0.34 0.06 0.41 -0.75 4.56 3.93 2bhlA1 TYR 202 HB2 -0.45 -0.04 0.04 -0.04 3.06 2.56 2bhlA1 TYR 202 HB3 -0.23 0.11 -0.04 -0.04 2.98 2.78 2bhlA1 TYR 202 HD2 -0.82 -0.03 -0.04 -0.04 7.15 6.21 2bhlA1 TYR 202 HE2 -0.00 0.03 -0.02 -0.04 6.85 6.82 2bhlA1 LEU 203 H -0.10 0.60 -0.24 -0.55 8.37 8.09 2bhlA1 LEU 203 HA -0.07 0.08 0.32 -0.75 4.35 3.92 2bhlA1 LEU 203 HB2 -0.10 0.25 0.14 -0.04 1.64 1.88 2bhlA1 LEU 203 HB3 -0.07 0.03 0.05 -0.04 1.64 1.61 2bhlA1 LEU 203 HG -0.02 -0.10 -0.08 -0.04 1.64 1.40 2bhlA1 LEU 203 HD13 -0.04 -0.03 -0.21 -0.04 0.93 0.61 2bhlA1 LEU 203 HD23 0.05 0.01 -0.06 -0.04 0.89 0.86 2bhlA1 GLY 204 H -0.18 0.44 -0.64 -0.55 8.43 7.50 2bhlA1 GLY 204 HA2 -0.26 0.19 0.75 -0.51 4.01 4.18 2bhlA1 GLY 204 HA3 -0.17 -0.03 0.34 -0.51 4.01 3.64 2bhlA1 LYS 205 H -0.19 0.41 -0.21 -0.55 8.42 7.87 2bhlA1 LYS 205 HA -0.13 0.11 0.72 -0.75 4.32 4.26 2bhlA1 LYS 205 HB2 -0.27 0.16 0.21 -0.04 1.87 1.93 2bhlA1 LYS 205 HB3 -0.22 -0.04 0.08 -0.04 1.79 1.56 2bhlA1 LYS 205 HG2 -0.21 -0.01 0.01 -0.04 1.46 1.21 2bhlA1 LYS 205 HG3 -0.36 0.06 0.03 -0.04 1.46 1.15 2bhlA1 LYS 205 HD2 -1.24 -0.01 0.04 -0.04 1.69 0.43 2bhlA1 LYS 205 HD3 -0.45 0.04 -0.01 -0.04 1.68 1.22 2bhlA1 LYS 205 HE2 -0.87 -0.09 -0.10 -0.04 2.99 1.89 2bhlA1 LYS 205 HE3 -0.64 0.03 -0.04 -0.04 2.99 2.29 2bhlA1 GLU 206 H -0.09 0.20 0.15 -0.55 8.60 8.31 2bhlA1 GLU 206 HA -0.07 0.12 0.27 -0.75 4.29 3.86 2bhlA1 GLU 206 HB2 -0.03 0.09 0.14 -0.04 2.09 2.24 2bhlA1 GLU 206 HB3 -0.08 -0.06 0.16 -0.04 1.99 1.97 2bhlA1 GLU 206 HG2 0.11 0.01 -0.05 -0.04 2.34 2.38 2bhlA1 GLU 206 HG3 0.01 -0.00 -0.28 -0.04 2.34 2.03 2bhlA1 MET 207 H -0.13 0.17 0.00 -0.55 8.47 7.96 2bhlA1 MET 207 HA -0.11 0.08 0.37 -0.75 4.52 4.11 2bhlA1 MET 207 HB2 -0.11 -0.05 0.03 -0.04 2.15 1.97 2bhlA1 MET 207 HB3 -0.10 0.04 -0.18 -0.04 2.03 1.75 2bhlA1 MET 207 HG2 -0.21 -0.00 0.10 -0.04 2.63 2.47 2bhlA1 MET 207 HG3 -0.18 0.25 -0.07 -0.04 2.56 2.51 2bhlA1 MET 207 HE3 -0.15 0.01 -0.20 -0.04 2.10 1.72 2bhlA1 VAL 208 H -0.11 0.08 -0.39 -0.55 8.24 7.27 2bhlA1 VAL 208 HA -0.04 0.05 0.37 -0.75 4.13 3.76 2bhlA1 VAL 208 HB -0.11 0.18 0.14 -0.04 2.12 2.29 2bhlA1 VAL 208 HG13 -0.02 -0.01 -0.17 -0.04 0.97 0.72 2bhlA1 VAL 208 HG23 -0.05 -0.05 0.01 -0.04 0.95 0.82 2bhlA1 GLN 209 H -0.10 0.53 -0.19 -0.55 8.47 8.16 2bhlA1 GLN 209 HA -0.05 0.04 0.38 -0.75 4.36 3.98 2bhlA1 GLN 209 HB2 -0.10 0.12 -0.02 -0.04 2.15 2.11 2bhlA1 GLN 209 HB3 -0.11 -0.07 -0.02 -0.04 2.02 1.77 2bhlA1 GLN 209 HG2 -0.37 0.07 -0.10 -0.04 2.40 1.97 2bhlA1 GLN 209 HG3 -0.22 0.11 -0.34 -0.04 2.39 1.90 2bhlA1 GLN 209 HE21 -0.53 -0.09 -0.04 -0.04 6.97 6.27 2bhlA1 GLN 209 HE22 -0.70 0.47 0.23 -0.04 7.69 7.66 2bhlA1 ASN 210 H -0.04 0.30 -0.41 -0.55 8.53 7.84 2bhlA1 ASN 210 HA 0.02 0.02 0.48 -0.75 4.76 4.52 2bhlA1 ASN 210 HB2 0.01 0.07 0.02 -0.04 2.88 2.95 2bhlA1 ASN 210 HB3 -0.01 0.10 0.03 -0.04 2.79 2.86 2bhlA1 ASN 210 HD21 0.16 -0.00 -0.06 -0.04 7.03 7.09 2bhlA1 ASN 210 HD22 0.06 -0.01 -0.08 -0.04 7.74 7.67 2bhlA1 LEU 211 H -0.02 0.39 -0.53 -0.55 8.37 7.66 2bhlA1 LEU 211 HA -0.06 0.01 0.29 -0.75 4.35 3.83 2bhlA1 LEU 211 HB2 -0.01 0.12 0.10 -0.04 1.64 1.81 2bhlA1 LEU 211 HB3 -0.05 0.08 -0.12 -0.04 1.64 1.51 2bhlA1 LEU 211 HG -0.01 0.12 0.07 -0.04 1.64 1.77 2bhlA1 LEU 211 HD13 0.02 0.00 0.01 -0.04 0.93 0.91 2bhlA1 LEU 211 HD23 0.04 -0.02 -0.06 -0.04 0.89 0.81 2bhlA1 MET 212 H 0.00 0.22 -0.19 -0.55 8.47 7.96 2bhlA1 MET 212 HA 0.02 0.12 0.31 -0.75 4.52 4.21 2bhlA1 MET 212 HB2 0.07 0.16 0.10 -0.04 2.15 2.43 2bhlA1 MET 212 HB3 0.12 -0.02 -0.10 -0.04 2.03 1.99 2bhlA1 MET 212 HG2 0.15 0.06 0.02 -0.04 2.63 2.83 2bhlA1 MET 212 HG3 0.10 0.00 0.01 -0.04 2.56 2.64 2bhlA1 MET 212 HE3 0.06 -0.01 -0.04 -0.04 2.10 2.07 2bhlA1 VAL 213 H 0.02 0.19 -0.25 -0.55 8.24 7.65 2bhlA1 VAL 213 HA 0.06 0.04 0.44 -0.75 4.13 3.91 2bhlA1 VAL 213 HB 0.04 0.09 -0.00 -0.04 2.12 2.21 2bhlA1 VAL 213 HG13 0.05 -0.01 -0.08 -0.04 0.97 0.89 2bhlA1 VAL 213 HG23 0.05 0.01 -0.01 -0.04 0.95 0.95 2bhlA1 LEU 214 H -0.04 0.62 -0.15 -0.55 8.37 8.26 2bhlA1 LEU 214 HA 0.09 -0.04 0.35 -0.75 4.35 3.99 2bhlA1 LEU 214 HB2 -0.09 0.15 0.17 -0.04 1.64 1.84 2bhlA1 LEU 214 HB3 -0.09 -0.03 -0.10 -0.04 1.64 1.38 2bhlA1 LEU 214 HG 0.03 0.08 -0.09 -0.04 1.64 1.62 2bhlA1 LEU 214 HD13 -0.03 -0.03 -0.11 -0.04 0.93 0.72 2bhlA1 LEU 214 HD23 0.14 -0.03 -0.04 -0.04 0.89 0.92 2bhlA1 ARG 215 H -0.39 0.51 -0.14 -0.55 8.46 7.89 2bhlA1 ARG 215 HA -0.26 0.11 0.71 -0.75 4.34 4.15 2bhlA1 ARG 215 HB2 -1.34 0.03 -0.11 -0.04 1.90 0.45 2bhlA1 ARG 215 HB3 -1.65 0.01 0.03 -0.04 1.80 0.16 2bhlA1 ARG 215 HG2 -0.72 -0.11 0.04 -0.04 1.67 0.85 2bhlA1 ARG 215 HG3 -0.94 0.07 0.04 -0.04 1.67 0.80 2bhlA1 ARG 215 HD2 -1.00 -0.11 -0.00 -0.04 3.22 2.06 2bhlA1 ARG 215 HD3 -0.59 0.15 -0.04 -0.04 3.22 2.69 2bhlA1 PHE 216 H -0.35 0.47 0.01 -0.55 8.34 7.92 2bhlA1 PHE 216 HA -0.06 0.17 0.70 -0.75 4.62 4.67 2bhlA1 PHE 216 HB2 -0.05 0.08 0.08 -0.04 3.15 3.23 2bhlA1 PHE 216 HB3 -0.04 -0.07 0.09 -0.04 3.06 3.00 2bhlA1 PHE 216 HD2 -0.08 0.01 -0.01 -0.04 7.28 7.16 2bhlA1 PHE 216 HE2 -0.08 -0.03 -0.09 -0.04 7.38 7.14 2bhlA1 PHE 216 HZ -0.06 0.25 -0.43 -0.04 7.32 7.04 2bhlA1 ALA 217 H 0.04 0.38 -0.26 -0.55 8.40 8.01 2bhlA1 ALA 217 HA 0.06 0.11 0.72 -0.75 4.34 4.48 2bhlA1 ALA 217 HB3 0.05 0.06 0.10 -0.04 1.41 1.58 2bhlA1 ASN 218 H 0.05 0.32 -0.45 -0.55 8.53 7.91 2bhlA1 ASN 218 HA -0.00 0.13 0.97 -0.75 4.76 5.10 2bhlA1 ASN 218 HB2 0.13 0.31 0.02 -0.04 2.88 3.29 2bhlA1 ASN 218 HB3 -0.14 -0.26 -0.04 -0.04 2.79 2.30 2bhlA1 ASN 218 HD21 0.11 -0.06 -0.12 -0.04 7.03 6.92 2bhlA1 ASN 218 HD22 0.20 0.35 0.01 -0.04 7.74 8.26 2bhlA1 ARG 219 H -0.04 0.13 0.18 -0.55 8.46 8.17 2bhlA1 ARG 219 HA 0.02 0.19 0.53 -0.75 4.34 4.33 2bhlA1 ARG 219 HB2 -0.01 0.06 0.07 -0.04 1.90 1.98 2bhlA1 ARG 219 HB3 -0.04 -0.03 0.10 -0.04 1.80 1.79 2bhlA1 ARG 219 HG2 -0.01 -0.00 -0.10 -0.04 1.67 1.51 2bhlA1 ARG 219 HG3 0.01 0.02 0.07 -0.04 1.67 1.73 2bhlA1 ARG 219 HD2 -0.00 0.02 0.00 -0.04 3.22 3.20 2bhlA1 ARG 219 HD3 -0.01 -0.01 -0.01 -0.04 3.22 3.15 2bhlA1 ILE 220 H -0.16 0.04 0.06 -0.55 8.25 7.65 2bhlA1 ILE 220 HA -0.13 0.07 0.40 -0.75 4.18 3.77 2bhlA1 ILE 220 HB -0.37 -0.05 0.11 -0.04 1.89 1.54 2bhlA1 ILE 220 HG12 -0.16 0.03 0.07 -0.04 1.49 1.39 2bhlA1 ILE 220 HG13 -0.14 -0.03 0.06 -0.04 1.21 1.06 2bhlA1 ILE 220 HG23 -1.20 0.02 -0.18 -0.04 0.93 -0.46 2bhlA1 ILE 220 HD13 -0.15 0.00 0.01 -0.04 0.88 0.71 2bhlA1 PHE 221 H -0.03 0.11 -0.79 -0.55 8.34 7.07 2bhlA1 PHE 221 HA 0.19 0.16 0.86 -0.75 4.62 5.07 2bhlA1 PHE 221 HB2 0.07 0.19 -0.03 -0.04 3.15 3.34 2bhlA1 PHE 221 HB3 0.42 -0.00 0.08 -0.04 3.06 3.52 2bhlA1 PHE 221 HD2 0.11 0.25 -0.08 -0.04 7.28 7.51 2bhlA1 PHE 221 HE2 0.08 -0.01 -0.10 -0.04 7.38 7.30 2bhlA1 PHE 221 HZ 0.08 -0.03 -0.11 -0.04 7.32 7.22 2bhlA1 GLY 222 H 0.12 0.39 -0.09 -0.55 8.43 8.30 2bhlA1 GLY 222 HA2 0.14 0.20 0.66 -0.51 4.01 4.51 2bhlA1 GLY 222 HA3 0.10 0.03 0.39 -0.51 4.01 4.01 2bhlA1 PRO 223 HA 0.07 0.16 0.52 -0.51 4.44 4.68 2bhlA1 PRO 223 HB2 0.03 0.02 -0.04 -0.04 2.28 2.26 2bhlA1 PRO 223 HB3 0.04 0.01 0.08 -0.04 2.02 2.10 2bhlA1 PRO 223 HG2 0.04 0.05 0.03 -0.04 2.03 2.11 2bhlA1 PRO 223 HG3 0.03 0.00 0.05 -0.04 2.03 2.06 2bhlA1 PRO 223 HD2 0.07 0.31 0.30 -0.04 3.68 4.32 2bhlA1 PRO 223 HD3 0.06 0.11 0.05 -0.04 3.65 3.83 2bhlA1 ILE 224 H 0.18 0.14 -0.48 -0.55 8.25 7.54 2bhlA1 ILE 224 HA 0.05 0.14 0.71 -0.75 4.18 4.32 2bhlA1 ILE 224 HB -0.14 -0.01 0.03 -0.04 1.89 1.73 2bhlA1 ILE 224 HG12 0.26 -0.08 -0.19 -0.04 1.49 1.44 2bhlA1 ILE 224 HG13 0.28 0.08 -0.30 -0.04 1.21 1.23 2bhlA1 ILE 224 HG23 -0.06 -0.01 -0.08 -0.04 0.93 0.75 2bhlA1 ILE 224 HD13 0.10 -0.00 0.00 -0.04 0.88 0.94 2bhlA1 TRP 225 H 0.34 0.18 -0.44 -0.55 7.97 7.50 2bhlA1 TRP 225 HA 0.11 0.06 0.41 -0.75 4.62 4.44 2bhlA1 TRP 225 HB2 0.09 0.22 0.20 -0.04 3.23 3.70 2bhlA1 TRP 225 HB3 0.02 0.02 0.27 -0.04 3.23 3.49 2bhlA1 TRP 225 HD1 0.29 -0.04 0.02 -0.04 7.22 7.45 2bhlA1 TRP 225 HE1 0.46 0.47 0.09 -0.04 10.20 11.19 2bhlA1 TRP 225 HE3 0.13 0.24 0.08 -0.04 7.59 8.00 2bhlA1 TRP 225 HZ2 0.01 -0.06 -0.02 -0.04 7.44 7.34 2bhlA1 TRP 225 HZ3 -0.26 -0.08 -0.07 -0.04 7.13 6.68 2bhlA1 TRP 225 HH2 -0.14 -0.09 -0.09 -0.04 7.19 6.83 2bhlA1 ASN 226 H -0.10 0.49 -0.03 -0.55 8.53 8.34 2bhlA1 ASN 226 HA -0.81 0.22 0.70 -0.75 4.76 4.12 2bhlA1 ASN 226 HB2 -0.19 -0.04 0.16 -0.04 2.88 2.77 2bhlA1 ASN 226 HB3 -0.17 0.14 -0.17 -0.04 2.79 2.54 2bhlA1 ASN 226 HD21 0.02 0.35 -0.15 -0.04 7.03 7.20 2bhlA1 ASN 226 HD22 0.00 0.06 -0.30 -0.04 7.74 7.46 2bhlA1 ARG 227 H -0.28 0.71 0.37 -0.55 8.46 8.71 2bhlA1 ARG 227 HA -0.01 0.14 0.39 -0.75 4.34 4.10 2bhlA1 ARG 227 HB2 0.07 0.04 0.03 -0.04 1.90 2.00 2bhlA1 ARG 227 HB3 0.05 0.00 0.05 -0.04 1.80 1.86 2bhlA1 ARG 227 HG2 -0.08 0.02 0.22 -0.04 1.67 1.78 2bhlA1 ARG 227 HG3 -0.00 -0.10 -0.05 -0.04 1.67 1.48 2bhlA1 ARG 227 HD2 0.03 -0.06 -0.15 -0.04 3.22 3.00 2bhlA1 ARG 227 HD3 0.01 -0.07 0.06 -0.04 3.22 3.18 2bhlA1 ASP 228 H -0.04 0.02 -0.34 -0.55 8.40 7.49 2bhlA1 ASP 228 HA 0.08 0.08 0.41 -0.75 4.63 4.44 2bhlA1 ASP 228 HB2 0.00 -0.00 0.02 -0.04 2.71 2.69 2bhlA1 ASP 228 HB3 0.04 -0.01 -0.01 -0.04 2.70 2.67 2bhlA1 ASN 229 H -0.01 0.28 -0.15 -0.55 8.53 8.09 2bhlA1 ASN 229 HA 0.09 0.17 1.03 -0.75 4.76 5.30 2bhlA1 ASN 229 HB2 0.08 0.22 0.19 -0.04 2.88 3.33 2bhlA1 ASN 229 HB3 0.12 -0.09 0.12 -0.04 2.79 2.90 2bhlA1 ASN 229 HD21 0.02 -0.04 -0.06 -0.04 7.03 6.92 2bhlA1 ASN 229 HD22 0.02 -0.01 -0.04 -0.04 7.74 7.67 2bhlA1 ILE 230 H -0.10 0.60 0.15 -0.55 8.25 8.34 2bhlA1 ILE 230 HA -0.32 0.02 0.88 -0.75 4.18 4.00 2bhlA1 ILE 230 HB -0.06 0.02 -0.04 -0.04 1.89 1.78 2bhlA1 ILE 230 HG12 -0.48 -0.05 -0.13 -0.04 1.49 0.79 2bhlA1 ILE 230 HG13 -0.09 0.12 0.13 -0.04 1.21 1.32 2bhlA1 ILE 230 HG23 -0.36 -0.03 -0.23 -0.04 0.93 0.26 2bhlA1 ILE 230 HD13 -0.43 -0.02 -0.11 -0.04 0.88 0.27 2bhlA1 ALA 231 H -0.37 0.42 0.42 -0.55 8.40 8.33 2bhlA1 ALA 231 HA -0.37 0.09 0.50 -0.75 4.34 3.81 2bhlA1 ALA 231 HB3 0.07 -0.01 -0.11 -0.04 1.41 1.31 2bhlA1 CYS 232 H -0.25 0.39 0.19 -0.55 8.50 8.28 2bhlA1 CYS 232 HA -0.23 0.15 0.35 -0.75 4.58 4.09 2bhlA1 CYS 232 HB2 -0.13 0.05 0.16 -0.04 2.97 3.01 2bhlA1 CYS 232 HB3 -0.03 0.32 -0.01 -0.04 2.97 3.20 2bhlA1 VAL 233 H -0.48 0.78 0.35 -0.55 8.24 8.34 2bhlA1 VAL 233 HA -0.35 0.23 1.18 -0.75 4.13 4.43 2bhlA1 VAL 233 HB -1.15 -0.02 0.15 -0.04 2.12 1.05 2bhlA1 VAL 233 HG13 -0.22 -0.02 -0.13 -0.04 0.97 0.56 2bhlA1 VAL 233 HG23 -0.78 0.01 -0.19 -0.04 0.95 -0.04 2bhlA1 ILE 234 H -0.21 0.79 0.37 -0.55 8.25 8.65 2bhlA1 ILE 234 HA -0.19 0.20 1.16 -0.75 4.18 4.59 2bhlA1 ILE 234 HB -0.19 -0.05 0.08 -0.04 1.89 1.69 2bhlA1 ILE 234 HG12 -0.55 -0.02 -0.14 -0.04 1.49 0.73 2bhlA1 ILE 234 HG13 -0.23 0.05 -0.53 -0.04 1.21 0.47 2bhlA1 ILE 234 HG23 -0.30 -0.02 -0.14 -0.04 0.93 0.43 2bhlA1 ILE 234 HD13 -0.01 0.05 -0.15 -0.04 0.88 0.73 2bhlA1 LEU 235 H -0.11 0.84 0.34 -0.55 8.37 8.90 2bhlA1 LEU 235 HA -0.05 0.20 1.02 -0.75 4.35 4.76 2bhlA1 LEU 235 HB2 -0.05 -0.01 0.23 -0.04 1.64 1.77 2bhlA1 LEU 235 HB3 -0.03 -0.04 0.08 -0.04 1.64 1.60 2bhlA1 LEU 235 HG -0.01 0.04 -0.13 -0.04 1.64 1.50 2bhlA1 LEU 235 HD13 -0.02 -0.02 -0.08 -0.04 0.93 0.78 2bhlA1 LEU 235 HD23 -0.03 0.02 -0.18 -0.04 0.89 0.66 2bhlA1 THR 236 H -0.03 0.69 0.37 -0.55 8.28 8.76 2bhlA1 THR 236 HA -0.04 0.35 1.18 -0.75 4.39 5.13 2bhlA1 THR 236 HB -0.05 -0.12 -0.04 -0.04 4.32 4.07 2bhlA1 THR 236 HG23 -0.07 -0.01 -0.08 -0.04 1.22 1.03 2bhlA1 PHE 237 H 0.05 0.69 0.42 -0.55 8.34 8.95 2bhlA1 PHE 237 HA -0.01 0.24 1.02 -0.75 4.62 5.12 2bhlA1 PHE 237 HB2 -0.07 0.00 -0.01 -0.04 3.15 3.04 2bhlA1 PHE 237 HB3 -0.09 -0.06 0.16 -0.04 3.06 3.04 2bhlA1 PHE 237 HD2 0.00 -0.08 -0.04 -0.04 7.28 7.12 2bhlA1 PHE 237 HE2 0.12 -0.02 -0.11 -0.04 7.38 7.33 2bhlA1 PHE 237 HZ 0.12 -0.03 -0.10 -0.04 7.32 7.27 2bhlA1 LYS 238 H -0.57 0.67 0.40 -0.55 8.42 8.37 2bhlA1 LYS 238 HA -0.25 0.31 1.14 -0.75 4.32 4.77 2bhlA1 LYS 238 HB2 -0.20 -0.08 -0.07 -0.04 1.87 1.47 2bhlA1 LYS 238 HB3 -0.15 -0.00 0.06 -0.04 1.79 1.65 2bhlA1 LYS 238 HG2 -0.06 0.07 -0.21 -0.04 1.46 1.22 2bhlA1 LYS 238 HG3 -0.12 -0.11 -0.48 -0.04 1.46 0.71 2bhlA1 LYS 238 HD2 -0.07 0.02 -0.16 -0.04 1.69 1.44 2bhlA1 LYS 238 HD3 -0.10 -0.04 -0.19 -0.04 1.68 1.31 2bhlA1 LYS 238 HE2 -0.09 -0.04 -0.23 -0.04 2.99 2.59 2bhlA1 LYS 238 HE3 -0.10 0.04 -0.11 -0.04 2.99 2.77 2bhlA1 GLU 239 H -0.28 0.39 0.36 -0.55 8.60 8.52 2bhlA1 GLU 239 HA -0.53 0.15 0.95 -0.75 4.29 4.10 2bhlA1 GLU 239 HB2 -0.41 0.03 0.20 -0.04 2.09 1.87 2bhlA1 GLU 239 HB3 -1.65 -0.12 0.11 -0.04 1.99 0.29 2bhlA1 GLU 239 HG2 -0.46 0.01 0.06 -0.04 2.34 1.91 2bhlA1 GLU 239 HG3 -0.57 0.05 -0.39 -0.04 2.34 1.39 2bhlA1 PRO 240 HA -0.16 0.24 0.31 -0.51 4.44 4.33 2bhlA1 PRO 240 HB2 0.03 0.05 -0.07 -0.04 2.28 2.25 2bhlA1 PRO 240 HB3 -0.06 -0.01 -0.16 -0.04 2.02 1.75 2bhlA1 PRO 240 HG2 0.11 0.02 -0.04 -0.04 2.03 2.07 2bhlA1 PRO 240 HG3 -0.00 0.05 -0.02 -0.04 2.03 2.01 2bhlA1 PRO 240 HD2 -0.84 0.06 0.19 -0.04 3.68 3.05 2bhlA1 PRO 240 HD3 -0.28 0.14 -0.02 -0.04 3.65 3.45 2bhlA1 PHE 241 H -0.82 0.02 -0.29 -0.55 8.34 6.70 2bhlA1 PHE 241 HA 0.07 0.22 0.76 -0.75 4.62 4.92 2bhlA1 PHE 241 HB2 0.06 -0.08 0.10 -0.04 3.15 3.19 2bhlA1 PHE 241 HB3 0.06 0.04 -0.01 -0.04 3.06 3.11 2bhlA1 PHE 241 HD2 0.03 0.10 -0.13 -0.04 7.28 7.25 2bhlA1 PHE 241 HE2 0.06 0.02 -0.01 -0.04 7.38 7.42 2bhlA1 PHE 241 HZ 0.08 0.02 0.00 -0.04 7.32 7.39 2bhlA1 GLY 242 H 0.27 0.10 -0.01 -0.55 8.43 8.24 2bhlA1 GLY 242 HA2 -0.08 0.18 0.79 -0.51 4.01 4.39 2bhlA1 GLY 242 HA3 -0.11 0.06 0.24 -0.51 4.01 3.70 2bhlA1 THR 243 H 0.31 0.22 -0.00 -0.55 8.28 8.26 2bhlA1 THR 243 HA 0.08 0.16 0.56 -0.75 4.39 4.43 2bhlA1 THR 243 HB 0.12 -0.05 -0.30 -0.04 4.32 4.05 2bhlA1 THR 243 HG23 -0.04 0.02 -0.04 -0.04 1.22 1.12 2bhlA1 GLU 244 H 0.09 0.35 0.01 -0.55 8.60 8.51 2bhlA1 GLU 244 HA 0.09 0.06 0.35 -0.75 4.29 4.04 2bhlA1 GLU 244 HB2 0.00 0.02 0.18 -0.04 2.09 2.25 2bhlA1 GLU 244 HB3 0.02 0.06 0.07 -0.04 1.99 2.10 2bhlA1 GLU 244 HG2 0.04 0.02 -0.01 -0.04 2.34 2.34 2bhlA1 GLU 244 HG3 0.08 -0.08 -0.11 -0.04 2.34 2.20 2bhlA1 GLY 245 H 0.08 0.36 0.36 -0.55 8.43 8.68 2bhlA1 GLY 245 HA2 0.03 0.05 0.38 -0.51 4.01 3.96 2bhlA1 GLY 245 HA3 0.04 0.07 0.31 -0.51 4.01 3.92 2bhlA1 ARG 246 H 0.08 0.11 -1.15 -0.55 8.46 6.95 2bhlA1 ARG 246 HA -0.00 0.17 0.96 -0.75 4.34 4.72 2bhlA1 ARG 246 HB2 0.29 -0.11 0.10 -0.04 1.90 2.15 2bhlA1 ARG 246 HB3 0.15 0.12 -0.07 -0.04 1.80 1.96 2bhlA1 ARG 246 HG2 0.12 0.20 -0.08 -0.04 1.67 1.87 2bhlA1 ARG 246 HG3 0.22 -0.10 0.09 -0.04 1.67 1.83 2bhlA1 ARG 246 HD2 0.16 0.05 -0.00 -0.04 3.22 3.38 2bhlA1 ARG 246 HD3 0.11 0.03 0.02 -0.04 3.22 3.33 2bhlA1 GLY 247 H -0.03 0.26 -0.15 -0.55 8.43 7.96 2bhlA1 GLY 247 HA2 0.19 0.11 0.70 -0.51 4.01 4.51 2bhlA1 GLY 247 HA3 -0.04 0.16 0.25 -0.51 4.01 3.87 2bhlA1 GLY 248 H -0.14 0.08 -0.23 -0.55 8.43 7.60 2bhlA1 GLY 248 HA2 -0.04 0.28 0.60 -0.51 4.01 4.34 2bhlA1 GLY 248 HA3 -0.18 0.16 0.30 -0.51 4.01 3.78 2bhlA1 TYR 249 H -0.00 0.06 -0.17 -0.55 8.29 7.63 2bhlA1 TYR 249 HA 0.15 0.17 0.41 -0.75 4.56 4.54 2bhlA1 TYR 249 HB2 0.16 0.01 0.01 -0.04 3.06 3.21 2bhlA1 TYR 249 HB3 0.11 0.05 -0.09 -0.04 2.98 3.01 2bhlA1 TYR 249 HD2 0.08 0.06 -0.01 -0.04 7.15 7.25 2bhlA1 TYR 249 HE2 0.05 0.03 -0.00 -0.04 6.85 6.88 2bhlA1 PHE 250 H 0.46 0.07 -0.16 -0.55 8.34 8.15 2bhlA1 PHE 250 HA 0.26 0.11 0.54 -0.75 4.62 4.77 2bhlA1 PHE 250 HB2 0.23 0.06 0.08 -0.04 3.15 3.48 2bhlA1 PHE 250 HB3 0.28 0.04 0.03 -0.04 3.06 3.37 2bhlA1 PHE 250 HD2 0.19 0.05 -0.17 -0.04 7.28 7.30 2bhlA1 PHE 250 HE2 0.03 0.08 -0.13 -0.04 7.38 7.31 2bhlA1 PHE 250 HZ 0.06 0.02 -0.11 -0.04 7.32 7.25 2bhlA1 ASP 251 H 0.35 0.22 -0.46 -0.55 8.40 7.96 2bhlA1 ASP 251 HA 0.36 -0.01 0.23 -0.75 4.63 4.46 2bhlA1 ASP 251 HB2 0.17 0.39 0.22 -0.04 2.71 3.46 2bhlA1 ASP 251 HB3 0.11 0.09 0.01 -0.04 2.70 2.87 2bhlA1 GLU 252 H 0.20 0.10 -0.87 -0.55 8.60 7.49 2bhlA1 GLU 252 HA -0.03 0.11 0.49 -0.75 4.29 4.11 2bhlA1 GLU 252 HB2 0.07 0.01 0.06 -0.04 2.09 2.19 2bhlA1 GLU 252 HB3 0.17 0.09 0.01 -0.04 1.99 2.22 2bhlA1 GLU 252 HG2 -0.44 0.01 -0.03 -0.04 2.34 1.84 2bhlA1 GLU 252 HG3 -0.12 -0.00 0.05 -0.04 2.34 2.23 2bhlA1 PHE 253 H 0.20 0.17 -0.20 -0.55 8.34 7.95 2bhlA1 PHE 253 HA -0.06 0.18 0.97 -0.75 4.62 4.95 2bhlA1 PHE 253 HB2 -0.19 -0.04 0.16 -0.04 3.15 3.05 2bhlA1 PHE 253 HB3 -0.16 -0.04 -0.05 -0.04 3.06 2.77 2bhlA1 PHE 253 HD2 0.01 0.11 -0.01 -0.04 7.28 7.35 2bhlA1 PHE 253 HE2 0.01 -0.01 -0.08 -0.04 7.38 7.27 2bhlA1 PHE 253 HZ -0.03 -0.06 -0.05 -0.04 7.32 7.14 2bhlA1 GLY 254 H -0.53 0.37 0.14 -0.55 8.43 7.86 2bhlA1 GLY 254 HA2 -0.31 0.09 0.31 -0.51 4.01 3.59 2bhlA1 GLY 254 HA3 -0.14 0.13 0.63 -0.51 4.01 4.12 2bhlA1 ILE 255 H -0.03 0.55 0.21 -0.55 8.25 8.43 2bhlA1 ILE 255 HA 0.03 0.06 0.34 -0.75 4.18 3.86 2bhlA1 ILE 255 HB 0.20 0.15 -0.12 -0.04 1.89 2.09 2bhlA1 ILE 255 HG12 0.05 0.14 -0.33 -0.04 1.49 1.31 2bhlA1 ILE 255 HG13 -0.06 -0.10 -0.24 -0.04 1.21 0.78 2bhlA1 ILE 255 HG23 -0.03 -0.01 -0.28 -0.04 0.93 0.56 2bhlA1 ILE 255 HD13 0.22 0.00 -0.12 -0.04 0.88 0.94 2bhlA1 ILE 256 H -0.10 0.20 -0.08 -0.55 8.25 7.72 2bhlA1 ILE 256 HA -0.26 0.03 0.45 -0.75 4.18 3.64 2bhlA1 ILE 256 HB -0.10 0.05 0.06 -0.04 1.89 1.85 2bhlA1 ILE 256 HG12 -0.09 -0.06 0.01 -0.04 1.49 1.31 2bhlA1 ILE 256 HG13 -0.03 0.05 0.06 -0.04 1.21 1.24 2bhlA1 ILE 256 HG23 -0.36 0.02 -0.08 -0.04 0.93 0.47 2bhlA1 ILE 256 HD13 0.02 0.03 -0.04 -0.04 0.88 0.86 2bhlA1 ARG 257 H -0.09 0.24 -0.16 -0.55 8.46 7.90 2bhlA1 ARG 257 HA -0.10 0.04 0.41 -0.75 4.34 3.93 2bhlA1 ARG 257 HB2 0.06 0.20 -0.04 -0.04 1.90 2.08 2bhlA1 ARG 257 HB3 0.28 -0.02 -0.07 -0.04 1.80 1.95 2bhlA1 ARG 257 HG2 0.47 -0.01 0.07 -0.04 1.67 2.16 2bhlA1 ARG 257 HG3 0.13 -0.07 0.09 -0.04 1.67 1.78 2bhlA1 ARG 257 HD2 0.16 -0.06 0.11 -0.04 3.22 3.39 2bhlA1 ARG 257 HD3 0.14 0.04 0.14 -0.04 3.22 3.51 2bhlA1 ASP 258 H -0.16 0.24 -0.55 -0.55 8.40 7.37 2bhlA1 ASP 258 HA -0.17 0.05 0.36 -0.75 4.63 4.11 2bhlA1 ASP 258 HB2 -0.23 0.18 0.02 -0.04 2.71 2.64 2bhlA1 ASP 258 HB3 -0.08 0.01 0.06 -0.04 2.70 2.64 2bhlA1 VAL 259 H -0.31 0.41 0.01 -0.55 8.24 7.79 2bhlA1 VAL 259 HA -0.78 0.14 1.01 -0.75 4.13 3.74 2bhlA1 VAL 259 HB -0.42 0.10 -0.02 -0.04 2.12 1.74 2bhlA1 VAL 259 HG13 -0.95 -0.01 -0.15 -0.04 0.97 -0.19 2bhlA1 VAL 259 HG23 -0.61 -0.01 -0.21 -0.04 0.95 0.08 2bhlA1 MET 260 H -0.38 0.27 0.23 -0.55 8.47 8.04 2bhlA1 MET 260 HA -0.30 0.04 0.58 -0.75 4.52 4.09 2bhlA1 MET 260 HB2 -0.31 -0.03 0.13 -0.04 2.15 1.89 2bhlA1 MET 260 HB3 -0.59 0.05 0.02 -0.04 2.03 1.47 2bhlA1 MET 260 HG2 -0.14 0.03 -0.12 -0.04 2.63 2.36 2bhlA1 MET 260 HG3 -0.18 0.00 -0.10 -0.04 2.56 2.24 2bhlA1 MET 260 HE3 0.29 0.01 -0.08 -0.04 2.10 2.28 2bhlA1 GLN 261 H -0.63 0.64 0.12 -0.55 8.47 8.05 2bhlA1 GLN 261 HA -0.82 0.09 0.37 -0.75 4.36 3.25 2bhlA1 GLN 261 HB2 -0.91 -0.04 0.02 -0.04 2.15 1.17 2bhlA1 GLN 261 HB3 -0.62 0.06 0.04 -0.04 2.02 1.47 2bhlA1 GLN 261 HG2 -0.65 0.04 -0.02 -0.04 2.40 1.72 2bhlA1 GLN 261 HG3 -1.26 -0.01 -0.08 -0.04 2.39 0.99 2bhlA1 GLN 261 HE21 -0.55 -0.05 -0.15 -0.04 6.97 6.19 2bhlA1 GLN 261 HE22 -0.90 -0.00 -0.17 -0.04 7.69 6.57 2bhlA1 ASN 262 H -0.43 0.01 -0.67 -0.55 8.53 6.89 2bhlA1 ASN 262 HA -0.21 0.23 0.72 -0.75 4.76 4.74 2bhlA1 ASN 262 HB2 -0.12 -0.05 -0.02 -0.04 2.88 2.66 2bhlA1 ASN 262 HB3 -0.15 0.05 -0.06 -0.04 2.79 2.58 2bhlA1 ASN 262 HD21 -0.32 0.25 -0.12 -0.04 7.03 6.80 2bhlA1 ASN 262 HD22 -0.23 -0.04 -0.06 -0.04 7.74 7.36 2bhlA1 HIS 263 H -0.56 0.14 -0.01 -0.55 8.41 7.44 2bhlA1 HIS 263 HA -0.28 -0.04 0.33 -0.75 4.63 3.89 2bhlA1 HIS 263 HB2 -0.61 0.25 0.26 -0.04 3.26 3.12 2bhlA1 HIS 263 HB3 -1.08 -0.01 0.02 -0.04 3.20 2.09 2bhlA1 HIS 263 HD2 -0.75 0.04 0.07 -0.04 6.97 6.28 2bhlA1 HIS 263 HE1 -0.01 -0.06 0.06 -0.04 7.75 7.70 2bhlA1 LEU 264 H -0.24 0.51 0.13 -0.55 8.37 8.23 2bhlA1 LEU 264 HA -0.08 0.01 0.33 -0.75 4.35 3.86 2bhlA1 LEU 264 HB2 -0.19 -0.02 0.18 -0.04 1.64 1.57 2bhlA1 LEU 264 HB3 -0.10 0.05 -0.08 -0.04 1.64 1.47 2bhlA1 LEU 264 HG -0.06 0.09 -0.12 -0.04 1.64 1.51 2bhlA1 LEU 264 HD13 -0.03 -0.01 -0.20 -0.04 0.93 0.65 2bhlA1 LEU 264 HD23 -0.12 0.01 -0.26 -0.04 0.89 0.48 2bhlA1 LEU 265 H -0.15 0.40 -0.45 -0.55 8.37 7.62 2bhlA1 LEU 265 HA -0.07 0.01 0.30 -0.75 4.35 3.84 2bhlA1 LEU 265 HB2 -0.07 0.07 0.03 -0.04 1.64 1.63 2bhlA1 LEU 265 HB3 -0.12 0.20 -0.09 -0.04 1.64 1.58 2bhlA1 LEU 265 HG -0.07 -0.07 -0.12 -0.04 1.64 1.35 2bhlA1 LEU 265 HD13 -0.03 -0.02 -0.01 -0.04 0.93 0.82 2bhlA1 LEU 265 HD23 0.04 0.01 0.06 -0.04 0.89 0.96 2bhlA1 GLN 266 H -0.08 0.53 -0.27 -0.55 8.47 8.10 2bhlA1 GLN 266 HA -0.05 0.02 0.44 -0.75 4.36 4.02 2bhlA1 GLN 266 HB2 -0.03 0.16 0.11 -0.04 2.15 2.35 2bhlA1 GLN 266 HB3 -0.02 -0.06 -0.09 -0.04 2.02 1.82 2bhlA1 GLN 266 HG2 -0.06 0.28 -0.01 -0.04 2.40 2.57 2bhlA1 GLN 266 HG3 -0.02 -0.15 -0.10 -0.04 2.39 2.08 2bhlA1 GLN 266 HE21 -0.06 -0.07 -0.10 -0.04 6.97 6.69 2bhlA1 GLN 266 HE22 -0.08 0.05 -0.09 -0.04 7.69 7.53 2bhlA1 MET 267 H -0.03 0.44 -0.15 -0.55 8.47 8.18 2bhlA1 MET 267 HA 0.01 0.05 0.42 -0.75 4.52 4.24 2bhlA1 MET 267 HB2 -0.01 0.12 0.05 -0.04 2.15 2.28 2bhlA1 MET 267 HB3 0.02 -0.03 0.02 -0.04 2.03 1.99 2bhlA1 MET 267 HG2 0.06 -0.07 -0.05 -0.04 2.63 2.53 2bhlA1 MET 267 HG3 0.00 0.21 -0.02 -0.04 2.56 2.71 2bhlA1 MET 267 HE3 0.05 0.01 -0.10 -0.04 2.10 2.01 2bhlA1 LEU 268 H -0.06 0.42 -0.25 -0.55 8.37 7.93 2bhlA1 LEU 268 HA -0.04 0.04 0.34 -0.75 4.35 3.94 2bhlA1 LEU 268 HB2 -0.09 -0.00 0.01 -0.04 1.64 1.52 2bhlA1 LEU 268 HB3 -0.14 0.16 0.08 -0.04 1.64 1.70 2bhlA1 LEU 268 HG -0.70 -0.02 -0.07 -0.04 1.64 0.81 2bhlA1 LEU 268 HD13 -0.31 -0.01 -0.12 -0.04 0.93 0.45 2bhlA1 LEU 268 HD23 -0.38 0.01 -0.43 -0.04 0.89 0.04 2bhlA1 CYS 269 H -0.08 0.34 -0.38 -0.55 8.50 7.84 2bhlA1 CYS 269 HA -0.09 0.03 0.34 -0.75 4.58 4.11 2bhlA1 CYS 269 HB2 -0.04 0.22 0.19 -0.04 2.97 3.30 2bhlA1 CYS 269 HB3 -0.03 -0.08 -0.05 -0.04 2.97 2.77 2bhlA1 LEU 270 H -0.00 0.38 -0.25 -0.55 8.37 7.94 2bhlA1 LEU 270 HA 0.05 0.05 0.42 -0.75 4.35 4.12 2bhlA1 LEU 270 HB2 0.02 0.06 0.11 -0.04 1.64 1.79 2bhlA1 LEU 270 HB3 0.02 -0.06 -0.01 -0.04 1.64 1.55 2bhlA1 LEU 270 HG 0.01 0.07 0.01 -0.04 1.64 1.70 2bhlA1 LEU 270 HD13 0.02 0.00 -0.07 -0.04 0.93 0.84 2bhlA1 LEU 270 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.83 2bhlA1 VAL 271 H 0.05 0.42 -0.23 -0.55 8.24 7.92 2bhlA1 VAL 271 HA 0.23 0.04 0.43 -0.75 4.13 4.08 2bhlA1 VAL 271 HB 0.09 0.02 0.08 -0.04 2.12 2.27 2bhlA1 VAL 271 HG13 0.31 -0.01 -0.23 -0.04 0.97 1.00 2bhlA1 VAL 271 HG23 0.13 -0.00 -0.04 -0.04 0.95 1.00 2bhlA1 ALA 272 H 0.01 0.48 -0.20 -0.55 8.40 8.15 2bhlA1 ALA 272 HA 0.40 0.14 0.65 -0.75 4.34 4.78 2bhlA1 ALA 272 HB3 -0.53 -0.05 -0.03 -0.04 1.41 0.77 2bhlA1 MET 273 H 0.12 0.45 -0.13 -0.55 8.47 8.37 2bhlA1 MET 273 HA 0.15 -0.09 0.32 -0.75 4.52 4.14 2bhlA1 MET 273 HB2 0.08 -0.14 -0.07 -0.04 2.15 1.98 2bhlA1 MET 273 HB3 0.07 0.15 0.07 -0.04 2.03 2.28 2bhlA1 MET 273 HG2 0.16 0.12 -0.00 -0.04 2.63 2.86 2bhlA1 MET 273 HG3 0.31 0.05 -0.37 -0.04 2.56 2.51 2bhlA1 MET 273 HE3 -0.02 -0.01 0.04 -0.04 2.10 2.07 2bhlA1 GLU 274 H 0.10 0.00 0.13 -0.55 8.60 8.29 2bhlA1 GLU 274 HA 0.17 0.18 0.58 -0.75 4.29 4.46 2bhlA1 GLU 274 HB2 0.03 -0.07 0.04 -0.04 2.09 2.05 2bhlA1 GLU 274 HB3 0.01 0.04 0.04 -0.04 1.99 2.03 2bhlA1 GLU 274 HG2 0.11 -0.01 0.01 -0.04 2.34 2.41 2bhlA1 GLU 274 HG3 0.05 -0.06 0.02 -0.04 2.34 2.31 2bhlA1 LYS 275 H -0.06 0.09 0.11 -0.55 8.42 8.01 2bhlA1 LYS 275 HA -1.58 0.12 0.45 -0.75 4.32 2.56 2bhlA1 LYS 275 HB2 -0.26 0.03 0.12 -0.04 1.87 1.72 2bhlA1 LYS 275 HB3 -0.21 -0.08 0.14 -0.04 1.79 1.61 2bhlA1 LYS 275 HG2 -0.41 0.20 -0.13 -0.04 1.46 1.07 2bhlA1 LYS 275 HG3 -0.77 -0.02 0.03 -0.04 1.46 0.67 2bhlA1 LYS 275 HD2 -0.03 -0.02 0.02 -0.04 1.69 1.62 2bhlA1 LYS 275 HD3 -0.10 -0.05 -0.03 -0.04 1.68 1.46 2bhlA1 LYS 275 HE2 -0.05 -0.06 -0.03 -0.04 2.99 2.82 2bhlA1 LYS 275 HE3 -0.04 0.02 0.01 -0.04 2.99 2.93 2bhlA1 PRO 276 HA -0.13 0.06 0.48 -0.51 4.44 4.33 2bhlA1 PRO 276 HB2 -0.11 -0.10 -0.01 -0.04 2.28 2.02 2bhlA1 PRO 276 HB3 -0.11 0.08 0.13 -0.04 2.02 2.07 2bhlA1 PRO 276 HG2 -0.21 -0.03 -0.11 -0.04 2.03 1.64 2bhlA1 PRO 276 HG3 -0.14 -0.01 0.03 -0.04 2.03 1.87 2bhlA1 PRO 276 HD2 -1.06 0.06 0.19 -0.04 3.68 2.84 2bhlA1 PRO 276 HD3 -0.42 0.32 0.23 -0.04 3.65 3.74 2bhlA1 ALA 277 H -0.08 0.12 0.19 -0.55 8.40 8.08 2bhlA1 ALA 277 HA -0.07 0.15 0.45 -0.75 4.34 4.12 2bhlA1 ALA 277 HB3 -0.04 -0.02 0.11 -0.04 1.41 1.42 2bhlA1 SER 278 H -0.07 0.17 -0.13 -0.55 8.46 7.89 2bhlA1 SER 278 HA -0.05 0.21 0.37 -0.75 4.49 4.27 2bhlA1 SER 278 HB2 -0.02 -0.04 0.10 -0.04 3.95 3.94 2bhlA1 SER 278 HB3 -0.03 0.25 -0.07 -0.04 3.93 4.04 2bhlA1 THR 279 H -0.02 0.22 0.06 -0.55 8.28 7.99 2bhlA1 THR 279 HA -0.02 0.18 0.45 -0.75 4.39 4.24 2bhlA1 THR 279 HB 0.01 0.03 0.14 -0.04 4.32 4.46 2bhlA1 THR 279 HG23 0.01 0.02 -0.02 -0.04 1.22 1.19 2bhlA1 ASN 280 H -0.04 0.06 -1.00 -0.55 8.53 7.02 2bhlA1 ASN 280 HA -0.03 0.22 0.75 -0.75 4.76 4.95 2bhlA1 ASN 280 HB2 -0.03 -0.00 -0.02 -0.04 2.88 2.78 2bhlA1 ASN 280 HB3 -0.03 -0.07 -0.06 -0.04 2.79 2.59 2bhlA1 ASN 280 HD21 -0.01 0.08 -0.04 -0.04 7.03 7.02 2bhlA1 ASN 280 HD22 -0.02 -0.01 -0.05 -0.04 7.74 7.62 2bhlA1 SER 281 H -0.04 0.25 0.20 -0.55 8.46 8.32 2bhlA1 SER 281 HA -0.08 0.11 0.39 -0.75 4.49 4.15 2bhlA1 SER 281 HB2 -0.05 0.10 0.22 -0.04 3.95 4.18 2bhlA1 SER 281 HB3 -0.07 0.08 0.01 -0.04 3.93 3.91 2bhlA1 ASP 282 H -0.05 0.20 -0.03 -0.55 8.40 7.97 2bhlA1 ASP 282 HA -0.05 0.10 0.76 -0.75 4.63 4.68 2bhlA1 ASP 282 HB2 -0.04 0.05 0.10 -0.04 2.71 2.78 2bhlA1 ASP 282 HB3 -0.04 0.04 0.16 -0.04 2.70 2.82 2bhlA1 ASP 283 H -0.05 0.42 -0.62 -0.55 8.40 7.61 2bhlA1 ASP 283 HA -0.04 0.16 0.74 -0.75 4.63 4.73 2bhlA1 ASP 283 HB2 -0.04 -0.04 0.03 -0.04 2.71 2.62 2bhlA1 ASP 283 HB3 -0.05 0.05 0.05 -0.04 2.70 2.70 2bhlA1 VAL 284 H -0.05 0.40 0.13 -0.55 8.24 8.17 2bhlA1 VAL 284 HA -0.05 0.16 0.65 -0.75 4.13 4.14 2bhlA1 VAL 284 HB -0.06 0.05 0.18 -0.04 2.12 2.24 2bhlA1 VAL 284 HG13 -0.04 0.01 -0.18 -0.04 0.97 0.72 2bhlA1 VAL 284 HG23 -0.04 0.03 -0.04 -0.04 0.95 0.87 2bhlA1 ARG 285 H -0.05 0.87 0.35 -0.55 8.46 9.07 2bhlA1 ARG 285 HA -0.04 0.09 0.46 -0.75 4.34 4.10 2bhlA1 ARG 285 HB2 -0.06 0.01 0.15 -0.04 1.90 1.96 2bhlA1 ARG 285 HB3 -0.05 -0.11 0.04 -0.04 1.80 1.64 2bhlA1 ARG 285 HG2 -0.06 -0.05 0.10 -0.04 1.67 1.63 2bhlA1 ARG 285 HG3 -0.07 0.09 0.13 -0.04 1.67 1.79 2bhlA1 ARG 285 HD2 -0.07 -0.04 -0.28 -0.04 3.22 2.79 2bhlA1 ARG 285 HD3 -0.07 -0.16 -0.23 -0.04 3.22 2.71 2bhlA1 ASP 286 H -0.04 0.08 -0.92 -0.55 8.40 6.98 2bhlA1 ASP 286 HA -0.03 0.01 0.42 -0.75 4.63 4.28 2bhlA1 ASP 286 HB2 -0.04 0.07 -0.03 -0.04 2.71 2.68 2bhlA1 ASP 286 HB3 -0.03 0.01 -0.05 -0.04 2.70 2.59 2bhlA1 GLU 287 H -0.03 0.28 -0.24 -0.55 8.60 8.06 2bhlA1 GLU 287 HA -0.01 0.01 0.40 -0.75 4.29 3.94 2bhlA1 GLU 287 HB2 -0.03 0.13 0.21 -0.04 2.09 2.36 2bhlA1 GLU 287 HB3 -0.00 0.03 0.08 -0.04 1.99 2.06 2bhlA1 GLU 287 HG2 -0.06 0.11 0.16 -0.04 2.34 2.51 2bhlA1 GLU 287 HG3 -0.10 0.13 -0.14 -0.04 2.34 2.20 2bhlA1 LYS 288 H -0.02 0.34 -0.35 -0.55 8.42 7.85 2bhlA1 LYS 288 HA -0.01 0.14 0.39 -0.75 4.32 4.08 2bhlA1 LYS 288 HB2 -0.03 0.02 0.15 -0.04 1.87 1.97 2bhlA1 LYS 288 HB3 -0.03 -0.06 -0.03 -0.04 1.79 1.63 2bhlA1 LYS 288 HG2 -0.01 -0.00 -0.11 -0.04 1.46 1.30 2bhlA1 LYS 288 HG3 -0.00 0.10 -0.07 -0.04 1.46 1.45 2bhlA1 LYS 288 HD2 -0.02 0.00 -0.15 -0.04 1.69 1.48 2bhlA1 LYS 288 HD3 -0.03 -0.08 -0.01 -0.04 1.68 1.52 2bhlA1 LYS 288 HE2 -0.01 -0.00 -0.06 -0.04 2.99 2.87 2bhlA1 LYS 288 HE3 0.00 0.03 -0.07 -0.04 2.99 2.92 2bhlA1 VAL 289 H -0.03 0.48 -0.10 -0.55 8.24 8.05 2bhlA1 VAL 289 HA -0.03 -0.00 0.36 -0.75 4.13 3.70 2bhlA1 VAL 289 HB -0.03 -0.12 0.10 -0.04 2.12 2.04 2bhlA1 VAL 289 HG13 -0.02 0.05 0.15 -0.04 0.97 1.11 2bhlA1 VAL 289 HG23 -0.02 -0.01 -0.14 -0.04 0.95 0.73 2bhlA1 LYS 290 H -0.01 0.55 -0.25 -0.55 8.42 8.16 2bhlA1 LYS 290 HA -0.00 -0.01 0.35 -0.75 4.32 3.90 2bhlA1 LYS 290 HB2 -0.00 0.10 0.10 -0.04 1.87 2.02 2bhlA1 LYS 290 HB3 0.01 0.13 0.07 -0.04 1.79 1.96 2bhlA1 LYS 290 HG2 0.02 0.01 -0.11 -0.04 1.46 1.34 2bhlA1 LYS 290 HG3 0.01 -0.04 0.05 -0.04 1.46 1.43 2bhlA1 LYS 290 HD2 0.00 -0.04 -0.02 -0.04 1.69 1.59 2bhlA1 LYS 290 HD3 -0.00 0.01 -0.05 -0.04 1.68 1.60 2bhlA1 LYS 290 HE2 0.02 0.01 -0.04 -0.04 2.99 2.95 2bhlA1 LYS 290 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.92 2bhlA1 VAL 291 H -0.00 0.40 -0.35 -0.55 8.24 7.74 2bhlA1 VAL 291 HA 0.02 0.05 0.41 -0.75 4.13 3.85 2bhlA1 VAL 291 HB -0.05 0.09 0.06 -0.04 2.12 2.18 2bhlA1 VAL 291 HG13 -0.09 -0.01 -0.21 -0.04 0.97 0.61 2bhlA1 VAL 291 HG23 0.05 0.14 0.04 -0.04 0.95 1.14 2bhlA1 LEU 292 H -0.04 0.37 -0.10 -0.55 8.37 8.06 2bhlA1 LEU 292 HA -0.09 0.06 0.42 -0.75 4.35 3.99 2bhlA1 LEU 292 HB2 -0.04 0.06 0.14 -0.04 1.64 1.76 2bhlA1 LEU 292 HB3 -0.05 -0.05 -0.06 -0.04 1.64 1.44 2bhlA1 LEU 292 HG -0.06 0.14 -0.00 -0.04 1.64 1.67 2bhlA1 LEU 292 HD13 -0.06 -0.06 -0.06 -0.04 0.93 0.71 2bhlA1 LEU 292 HD23 -0.10 0.01 -0.08 -0.04 0.89 0.68 2bhlA1 LYS 293 H -0.02 0.48 -0.29 -0.55 8.42 8.04 2bhlA1 LYS 293 HA -0.02 -0.01 0.36 -0.75 4.32 3.89 2bhlA1 LYS 293 HB2 -0.01 0.18 0.09 -0.04 1.87 2.09 2bhlA1 LYS 293 HB3 -0.00 -0.06 0.02 -0.04 1.79 1.71 2bhlA1 LYS 293 HG2 -0.01 -0.07 -0.01 -0.04 1.46 1.33 2bhlA1 LYS 293 HG3 -0.01 0.07 -0.12 -0.04 1.46 1.36 2bhlA1 LYS 293 HD2 -0.00 0.00 -0.03 -0.04 1.69 1.62 2bhlA1 LYS 293 HD3 -0.00 -0.01 0.01 -0.04 1.68 1.63 2bhlA1 LYS 293 HE2 -0.00 -0.03 -0.03 -0.04 2.99 2.88 2bhlA1 LYS 293 HE3 -0.01 -0.05 -0.08 -0.04 2.99 2.81 2bhlA1 CYS 294 H -0.01 0.30 -0.61 -0.55 8.50 7.62 2bhlA1 CYS 294 HA 0.00 0.19 0.97 -0.75 4.58 4.99 2bhlA1 CYS 294 HB2 0.04 0.03 0.27 -0.04 2.97 3.27 2bhlA1 CYS 294 HB3 0.02 -0.05 0.08 -0.04 2.97 2.98 2bhlA1 ILE 295 H -0.04 0.53 -0.37 -0.55 8.25 7.82 2bhlA1 ILE 295 HA -0.04 0.21 1.08 -0.75 4.18 4.68 2bhlA1 ILE 295 HB -0.10 0.08 0.21 -0.04 1.89 2.03 2bhlA1 ILE 295 HG12 -0.20 -0.07 -0.17 -0.04 1.49 1.02 2bhlA1 ILE 295 HG13 -0.11 0.18 -0.19 -0.04 1.21 1.05 2bhlA1 ILE 295 HG23 -0.14 0.02 -0.10 -0.04 0.93 0.67 2bhlA1 ILE 295 HD13 -0.19 -0.07 -0.14 -0.04 0.88 0.44 2bhlA1 SER 296 H -0.00 0.19 0.14 -0.55 8.46 8.24 2bhlA1 SER 296 HA -0.03 0.03 0.48 -0.75 4.49 4.22 2bhlA1 SER 296 HB2 0.00 -0.02 0.11 -0.04 3.95 4.00 2bhlA1 SER 296 HB3 0.01 0.01 0.09 -0.04 3.93 4.00 2bhlA1 GLU 297 H -0.04 0.03 0.17 -0.55 8.60 8.21 2bhlA1 GLU 297 HA -0.13 0.06 0.58 -0.75 4.29 4.04 2bhlA1 GLU 297 HB2 -0.04 -0.08 0.14 -0.04 2.09 2.07 2bhlA1 GLU 297 HB3 -0.06 0.05 0.15 -0.04 1.99 2.09 2bhlA1 GLU 297 HG2 -0.03 -0.06 0.14 -0.04 2.34 2.35 2bhlA1 GLU 297 HG3 -0.05 0.15 0.11 -0.04 2.34 2.51 2bhlA1 VAL 298 H -0.23 0.30 0.26 -0.55 8.24 8.02 2bhlA1 VAL 298 HA -0.09 0.12 0.40 -0.75 4.13 3.82 2bhlA1 VAL 298 HB -0.17 -0.08 0.05 -0.04 2.12 1.89 2bhlA1 VAL 298 HG13 -0.05 0.01 -0.06 -0.04 0.97 0.83 2bhlA1 VAL 298 HG23 -0.50 0.02 -0.01 -0.04 0.95 0.41 2bhlA1 GLN 299 H -0.01 0.28 0.19 -0.55 8.47 8.38 2bhlA1 GLN 299 HA -0.00 0.15 0.85 -0.75 4.36 4.61 2bhlA1 GLN 299 HB2 0.02 -0.02 0.07 -0.04 2.15 2.18 2bhlA1 GLN 299 HB3 0.01 -0.05 0.06 -0.04 2.02 1.99 2bhlA1 GLN 299 HG2 -0.00 0.10 -0.19 -0.04 2.40 2.27 2bhlA1 GLN 299 HG3 0.01 0.09 -0.16 -0.04 2.39 2.28 2bhlA1 GLN 299 HE21 -0.01 -0.02 -0.02 -0.04 6.97 6.88 2bhlA1 GLN 299 HE22 -0.00 0.05 -0.03 -0.04 7.69 7.67 2bhlA1 ALA 300 H 0.02 0.21 0.12 -0.55 8.40 8.20 2bhlA1 ALA 300 HA 0.02 0.07 0.31 -0.75 4.34 3.99 2bhlA1 ALA 300 HB3 0.03 0.03 0.09 -0.04 1.41 1.51 2bhlA1 ASN 301 H 0.02 0.07 -0.33 -0.55 8.53 7.75 2bhlA1 ASN 301 HA 0.03 0.15 0.65 -0.75 4.76 4.83 2bhlA1 ASN 301 HB2 0.02 -0.03 0.06 -0.04 2.88 2.88 2bhlA1 ASN 301 HB3 0.03 0.06 0.11 -0.04 2.79 2.95 2bhlA1 ASN 301 HD21 0.02 0.00 0.01 -0.04 7.03 7.01 2bhlA1 ASN 301 HD22 0.02 0.01 0.01 -0.04 7.74 7.74 2bhlA1 ASN 302 H 0.03 0.48 -0.32 -0.55 8.53 8.17 2bhlA1 ASN 302 HA 0.04 0.20 0.83 -0.75 4.76 5.08 2bhlA1 ASN 302 HB2 0.04 0.06 0.23 -0.04 2.88 3.17 2bhlA1 ASN 302 HB3 0.04 -0.07 0.33 -0.04 2.79 3.05 2bhlA1 ASN 302 HD21 0.10 0.00 -0.04 -0.04 7.03 7.06 2bhlA1 ASN 302 HD22 0.10 -0.02 0.06 -0.04 7.74 7.83 2bhlA1 VAL 303 H 0.03 0.42 -0.17 -0.55 8.24 7.96 2bhlA1 VAL 303 HA 0.01 0.35 1.06 -0.75 4.13 4.79 2bhlA1 VAL 303 HB 0.03 0.01 0.08 -0.04 2.12 2.20 2bhlA1 VAL 303 HG13 0.02 -0.03 -0.19 -0.04 0.97 0.73 2bhlA1 VAL 303 HG23 0.02 0.00 -0.23 -0.04 0.95 0.70 2bhlA1 VAL 304 H 0.02 0.55 0.32 -0.55 8.24 8.58 2bhlA1 VAL 304 HA 0.07 0.19 0.96 -0.75 4.13 4.59 2bhlA1 VAL 304 HB 0.12 -0.02 0.07 -0.04 2.12 2.24 2bhlA1 VAL 304 HG13 0.16 -0.04 -0.26 -0.04 0.97 0.79 2bhlA1 VAL 304 HG23 0.06 0.04 -0.33 -0.04 0.95 0.67 2bhlA1 LEU 305 H 0.09 0.22 0.17 -0.55 8.37 8.31 2bhlA1 LEU 305 HA 0.14 0.30 1.15 -0.75 4.35 5.19 2bhlA1 LEU 305 HB2 0.08 0.01 0.08 -0.04 1.64 1.76 2bhlA1 LEU 305 HB3 0.09 0.01 0.11 -0.04 1.64 1.82 2bhlA1 LEU 305 HG 0.05 -0.07 -0.26 -0.04 1.64 1.32 2bhlA1 LEU 305 HD13 0.05 0.03 -0.04 -0.04 0.93 0.92 2bhlA1 LEU 305 HD23 0.03 -0.00 0.02 -0.04 0.89 0.90 2bhlA1 GLY 306 H 0.32 0.62 0.40 -0.55 8.43 9.22 2bhlA1 GLY 306 HA2 0.20 0.37 0.97 -0.51 4.01 5.04 2bhlA1 GLY 306 HA3 0.23 -0.03 0.27 -0.51 4.01 3.97 2bhlA1 GLN 307 H 0.21 0.70 0.02 -0.55 8.47 8.85 2bhlA1 GLN 307 HA 0.05 -0.10 0.81 -0.75 4.36 4.36 2bhlA1 GLN 307 HB2 0.01 0.11 -0.16 -0.04 2.15 2.07 2bhlA1 GLN 307 HB3 0.00 0.07 -0.05 -0.04 2.02 2.00 2bhlA1 GLN 307 HG2 -0.15 -0.02 -0.10 -0.04 2.40 2.09 2bhlA1 GLN 307 HG3 -0.30 -0.04 0.10 -0.04 2.39 2.10 2bhlA1 GLN 307 HE21 0.17 0.05 -0.35 -0.04 6.97 6.80 2bhlA1 GLN 307 HE22 -0.04 0.16 -0.05 -0.04 7.69 7.73 2bhlA1 TYR 308 H -0.25 0.08 0.13 -0.55 8.29 7.70 2bhlA1 TYR 308 HA -0.88 0.11 0.82 -0.75 4.56 3.85 2bhlA1 TYR 308 HB2 -0.56 0.17 0.09 -0.04 3.06 2.72 2bhlA1 TYR 308 HB3 -1.33 0.04 0.04 -0.04 2.98 1.69 2bhlA1 TYR 308 HD2 -0.03 0.11 -0.10 -0.04 7.15 7.09 2bhlA1 TYR 308 HE2 0.09 0.12 -0.03 -0.04 6.85 6.99 2bhlA1 VAL 309 H -0.09 0.56 0.33 -0.55 8.24 8.49 2bhlA1 VAL 309 HA -0.02 0.01 0.86 -0.75 4.13 4.23 2bhlA1 VAL 309 HB 0.01 -0.02 0.16 -0.04 2.12 2.22 2bhlA1 VAL 309 HG13 -0.04 0.01 -0.08 -0.04 0.97 0.83 2bhlA1 VAL 309 HG23 0.00 0.05 -0.22 -0.04 0.95 0.74 2bhlA1 GLY 310 H 0.05 0.09 0.12 -0.55 8.43 8.14 2bhlA1 GLY 310 HA2 0.14 0.29 0.35 -0.51 4.01 4.28 2bhlA1 GLY 310 HA3 0.05 0.18 0.05 -0.51 4.01 3.78 2bhlA1 ASN 311 H 0.00 0.43 0.02 -0.55 8.53 8.43 2bhlA1 ASN 311 HA 0.03 0.18 0.83 -0.75 4.76 5.04 2bhlA1 ASN 311 HB2 0.07 0.13 0.03 -0.04 2.88 3.07 2bhlA1 ASN 311 HB3 -0.01 -0.12 0.04 -0.04 2.79 2.65 2bhlA1 ASN 311 HD21 0.02 0.06 -0.19 -0.04 7.03 6.88 2bhlA1 ASN 311 HD22 0.02 -0.05 -0.13 -0.04 7.74 7.54 2bhlA1 PRO 312 HA -0.00 0.10 0.45 -0.51 4.44 4.48 2bhlA1 PRO 312 HB2 0.00 0.04 0.01 -0.04 2.28 2.30 2bhlA1 PRO 312 HB3 0.00 0.05 0.09 -0.04 2.02 2.13 2bhlA1 PRO 312 HG2 0.01 0.05 0.08 -0.04 2.03 2.13 2bhlA1 PRO 312 HG3 0.01 0.07 0.06 -0.04 2.03 2.13 2bhlA1 PRO 312 HD2 0.01 0.02 0.14 -0.04 3.68 3.82 2bhlA1 PRO 312 HD3 0.02 0.38 0.29 -0.04 3.65 4.30 2bhlA1 ASP 313 H 0.01 0.12 -0.18 -0.55 8.40 7.80 2bhlA1 ASP 313 HA -0.00 0.12 0.46 -0.75 4.63 4.46 2bhlA1 ASP 313 HB2 0.01 0.01 0.08 -0.04 2.71 2.76 2bhlA1 ASP 313 HB3 0.00 0.03 0.12 -0.04 2.70 2.82 2bhlA1 GLY 314 H -0.01 0.40 -1.44 -0.55 8.43 6.83 2bhlA1 GLY 314 HA2 -0.03 0.00 0.25 -0.51 4.01 3.72 2bhlA1 GLY 314 HA3 -0.05 0.16 0.19 -0.51 4.01 3.80 2bhlA1 GLU 315 H -0.08 -0.00 0.10 -0.55 8.60 8.08 2bhlA1 GLU 315 HA -0.02 0.21 0.45 -0.75 4.29 4.17 2bhlA1 GLU 315 HB2 -0.06 -0.20 0.13 -0.04 2.09 1.92 2bhlA1 GLU 315 HB3 -0.02 0.06 0.03 -0.04 1.99 2.02 2bhlA1 GLU 315 HG2 -0.03 -0.05 0.09 -0.04 2.34 2.32 2bhlA1 GLU 315 HG3 -0.00 0.04 0.03 -0.04 2.34 2.37 2bhlA1 GLY 316 H -0.10 -0.21 0.01 -0.55 8.43 7.58 2bhlA1 GLY 316 HA2 -0.03 0.23 0.47 -0.51 4.01 4.17 2bhlA1 GLY 316 HA3 -0.03 0.07 0.42 -0.51 4.01 3.96 2bhlA1 GLU 317 H -0.06 0.21 0.16 -0.55 8.60 8.37 2bhlA1 GLU 317 HA -0.03 0.18 0.51 -0.75 4.29 4.19 2bhlA1 GLU 317 HB2 -0.01 -0.01 0.14 -0.04 2.09 2.16 2bhlA1 GLU 317 HB3 0.02 0.03 0.03 -0.04 1.99 2.02 2bhlA1 GLU 317 HG2 0.01 0.04 0.03 -0.04 2.34 2.38 2bhlA1 GLU 317 HG3 0.02 0.03 0.04 -0.04 2.34 2.38 2bhlA1 ALA 318 H -0.25 -0.16 -0.20 -0.55 8.40 7.24 2bhlA1 ALA 318 HA -1.52 0.20 0.42 -0.75 4.34 2.69 2bhlA1 ALA 318 HB3 -0.48 -0.02 0.07 -0.04 1.41 0.94 2bhlA1 THR 319 H -0.14 0.17 -0.36 -0.55 8.28 7.40 2bhlA1 THR 319 HA -0.05 0.04 0.26 -0.75 4.39 3.89 2bhlA1 THR 319 HB -0.02 -0.02 0.04 -0.04 4.32 4.28 2bhlA1 THR 319 HG23 -0.04 -0.01 -0.07 -0.04 1.22 1.06 2bhlA1 LYS 320 H -0.06 0.27 -0.82 -0.55 8.42 7.26 2bhlA1 LYS 320 HA 0.04 0.06 0.98 -0.75 4.32 4.65 2bhlA1 LYS 320 HB2 0.04 0.05 0.09 -0.04 1.87 2.01 2bhlA1 LYS 320 HB3 0.05 0.11 0.01 -0.04 1.79 1.92 2bhlA1 LYS 320 HG2 0.01 0.05 -0.19 -0.04 1.46 1.29 2bhlA1 LYS 320 HG3 -0.00 -0.05 -0.18 -0.04 1.46 1.19 2bhlA1 LYS 320 HD2 0.01 -0.05 0.02 -0.04 1.69 1.63 2bhlA1 LYS 320 HD3 0.01 0.18 0.07 -0.04 1.68 1.90 2bhlA1 LYS 320 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.93 2bhlA1 LYS 320 HE3 -0.00 -0.03 -0.03 -0.04 2.99 2.89 2bhlA1 GLY 321 H 0.07 0.05 0.07 -0.55 8.43 8.08 2bhlA1 GLY 321 HA2 0.39 0.22 0.36 -0.51 4.01 4.47 2bhlA1 GLY 321 HA3 0.04 -0.05 0.25 -0.51 4.01 3.74 2bhlA1 TYR 322 H -0.49 0.53 0.17 -0.55 8.29 7.95 2bhlA1 TYR 322 HA -0.23 0.03 0.38 -0.75 4.56 3.98 2bhlA1 TYR 322 HB2 -0.75 0.00 0.19 -0.04 3.06 2.46 2bhlA1 TYR 322 HB3 -0.26 0.01 0.14 -0.04 2.98 2.83 2bhlA1 TYR 322 HD2 -0.09 0.00 -0.03 -0.04 7.15 7.00 2bhlA1 TYR 322 HE2 0.06 -0.07 -0.04 -0.04 6.85 6.76 2bhlA1 LEU 323 H -0.02 0.13 0.01 -0.55 8.37 7.95 2bhlA1 LEU 323 HA -0.13 0.23 0.48 -0.75 4.35 4.17 2bhlA1 LEU 323 HB2 -0.02 -0.04 0.05 -0.04 1.64 1.60 2bhlA1 LEU 323 HB3 -0.02 0.03 0.15 -0.04 1.64 1.75 2bhlA1 LEU 323 HG 0.06 -0.07 0.08 -0.04 1.64 1.66 2bhlA1 LEU 323 HD13 0.02 0.03 0.03 -0.04 0.93 0.97 2bhlA1 LEU 323 HD23 0.03 0.03 0.02 -0.04 0.89 0.92 2bhlA1 ASP 324 H -0.03 0.06 -0.73 -0.55 8.40 7.14 2bhlA1 ASP 324 HA -0.02 0.13 0.51 -0.75 4.63 4.49 2bhlA1 ASP 324 HB2 0.02 0.03 0.06 -0.04 2.71 2.78 2bhlA1 ASP 324 HB3 0.00 0.03 0.19 -0.04 2.70 2.88 2bhlA1 ASP 325 H -0.09 0.39 -0.94 -0.55 8.40 7.22 2bhlA1 ASP 325 HA -0.04 0.13 0.71 -0.75 4.63 4.67 2bhlA1 ASP 325 HB2 -0.04 0.08 -0.05 -0.04 2.71 2.66 2bhlA1 ASP 325 HB3 -0.16 0.19 0.13 -0.04 2.70 2.82 2bhlA1 PRO 326 HA -0.05 0.27 0.53 -0.51 4.44 4.68 2bhlA1 PRO 326 HB2 -0.03 0.00 -0.08 -0.04 2.28 2.13 2bhlA1 PRO 326 HB3 -0.03 0.05 0.06 -0.04 2.02 2.06 2bhlA1 PRO 326 HG2 -0.02 0.03 0.05 -0.04 2.03 2.05 2bhlA1 PRO 326 HG3 -0.03 0.08 0.00 -0.04 2.03 2.05 2bhlA1 PRO 326 HD2 -0.03 0.03 0.21 -0.04 3.68 3.85 2bhlA1 PRO 326 HD3 -0.03 0.23 0.17 -0.04 3.65 3.98 2bhlA1 THR 327 H -0.07 0.09 -0.12 -0.55 8.28 7.64 2bhlA1 THR 327 HA -0.08 0.11 0.48 -0.75 4.39 4.14 2bhlA1 THR 327 HB -0.13 -0.06 0.13 -0.04 4.32 4.22 2bhlA1 THR 327 HG23 -0.05 0.08 0.11 -0.04 1.22 1.32 2bhlA1 VAL 328 H -0.13 0.11 -0.70 -0.55 8.24 6.97 2bhlA1 VAL 328 HA -0.14 0.11 0.55 -0.75 4.13 3.89 2bhlA1 VAL 328 HB -0.33 0.23 0.14 -0.04 2.12 2.12 2bhlA1 VAL 328 HG13 -0.42 0.04 -0.17 -0.04 0.97 0.38 2bhlA1 VAL 328 HG23 -0.60 0.01 -0.11 -0.04 0.95 0.21 2bhlA1 PRO 329 HA -0.04 0.05 0.31 -0.51 4.44 4.26 2bhlA1 PRO 329 HB2 -0.00 -0.00 -0.05 -0.04 2.28 2.18 2bhlA1 PRO 329 HB3 -0.01 0.01 0.13 -0.04 2.02 2.11 2bhlA1 PRO 329 HG2 0.00 0.02 0.07 -0.04 2.03 2.08 2bhlA1 PRO 329 HG3 -0.02 0.04 0.10 -0.04 2.03 2.11 2bhlA1 PRO 329 HD2 -0.04 0.02 0.26 -0.04 3.68 3.88 2bhlA1 PRO 329 HD3 -0.05 0.38 0.27 -0.04 3.65 4.20 2bhlA1 ARG 330 H -0.02 0.10 0.18 -0.55 8.46 8.17 2bhlA1 ARG 330 HA -0.02 0.21 0.95 -0.75 4.34 4.72 2bhlA1 ARG 330 HB2 -0.01 -0.02 0.16 -0.04 1.90 1.98 2bhlA1 ARG 330 HB3 -0.01 0.02 -0.01 -0.04 1.80 1.76 2bhlA1 ARG 330 HG2 -0.02 0.02 0.14 -0.04 1.67 1.76 2bhlA1 ARG 330 HG3 -0.02 0.03 0.03 -0.04 1.67 1.67 2bhlA1 ARG 330 HD2 -0.01 -0.00 0.00 -0.04 3.22 3.17 2bhlA1 ARG 330 HD3 -0.01 -0.01 0.04 -0.04 3.22 3.20 2bhlA1 GLY 331 H 0.00 0.16 0.20 -0.55 8.43 8.24 2bhlA1 GLY 331 HA2 0.02 0.02 0.33 -0.51 4.01 3.86 2bhlA1 GLY 331 HA3 0.01 0.08 0.45 -0.51 4.01 4.04 2bhlA1 SER 332 H 0.03 0.07 -0.40 -0.55 8.46 7.62 2bhlA1 SER 332 HA 0.06 0.06 0.26 -0.75 4.49 4.11 2bhlA1 SER 332 HB2 0.06 0.11 -0.11 -0.04 3.95 3.96 2bhlA1 SER 332 HB3 0.14 -0.02 -0.01 -0.04 3.93 4.00 2bhlA1 THR 333 H 0.07 0.13 0.14 -0.55 8.28 8.07 2bhlA1 THR 333 HA 0.06 0.18 0.84 -0.75 4.39 4.71 2bhlA1 THR 333 HB 0.04 0.22 0.20 -0.04 4.32 4.74 2bhlA1 THR 333 HG23 0.03 0.05 -0.09 -0.04 1.22 1.17 2bhlA1 THR 334 H 0.13 0.00 -0.16 -0.55 8.28 7.71 2bhlA1 THR 334 HA 0.05 0.09 0.42 -0.75 4.39 4.20 2bhlA1 THR 334 HB 0.25 -0.06 0.02 -0.04 4.32 4.49 2bhlA1 THR 334 HG23 0.11 -0.02 -0.25 -0.04 1.22 1.01 2bhlA1 ALA 335 H 0.04 0.10 0.21 -0.55 8.40 8.19 2bhlA1 ALA 335 HA 0.07 0.24 0.64 -0.75 4.34 4.53 2bhlA1 ALA 335 HB3 0.07 0.03 0.19 -0.04 1.41 1.66 2bhlA1 THR 336 H 0.14 0.62 0.58 -0.55 8.28 9.07 2bhlA1 THR 336 HA 0.29 0.07 0.83 -0.75 4.39 4.83 2bhlA1 THR 336 HB 0.33 -0.00 0.18 -0.04 4.32 4.79 2bhlA1 THR 336 HG23 -0.34 0.01 -0.00 -0.04 1.22 0.85 2bhlA1 PHE 337 H 0.28 0.36 0.19 -0.55 8.34 8.61 2bhlA1 PHE 337 HA 0.03 0.24 0.91 -0.75 4.62 5.05 2bhlA1 PHE 337 HB2 -0.17 0.03 -0.02 -0.04 3.15 2.95 2bhlA1 PHE 337 HB3 -0.04 -0.13 0.00 -0.04 3.06 2.85 2bhlA1 PHE 337 HD2 -0.15 -0.12 -0.25 -0.04 7.28 6.72 2bhlA1 PHE 337 HE2 -0.13 0.00 -0.20 -0.04 7.38 7.02 2bhlA1 PHE 337 HZ -0.13 -0.03 -0.14 -0.04 7.32 6.98 2bhlA1 ALA 338 H -0.73 0.88 0.44 -0.55 8.40 8.45 2bhlA1 ALA 338 HA -0.23 0.35 0.97 -0.75 4.34 4.67 2bhlA1 ALA 338 HB3 -0.15 -0.03 -0.01 -0.04 1.41 1.18 2bhlA1 ALA 339 H -0.17 0.43 0.29 -0.55 8.40 8.40 2bhlA1 ALA 339 HA -0.24 0.31 0.93 -0.75 4.34 4.58 2bhlA1 ALA 339 HB3 -0.07 -0.01 0.06 -0.04 1.41 1.34 2bhlA1 VAL 340 H -0.10 0.60 0.32 -0.55 8.24 8.51 2bhlA1 VAL 340 HA -0.03 0.36 1.12 -0.75 4.13 4.82 2bhlA1 VAL 340 HB 0.03 -0.04 0.08 -0.04 2.12 2.15 2bhlA1 VAL 340 HG13 -0.00 0.03 -0.10 -0.04 0.97 0.85 2bhlA1 VAL 340 HG23 0.03 -0.03 -0.17 -0.04 0.95 0.74 2bhlA1 VAL 341 H -0.03 0.56 0.31 -0.55 8.24 8.53 2bhlA1 VAL 341 HA -0.13 0.26 1.07 -0.75 4.13 4.58 2bhlA1 VAL 341 HB -0.00 -0.04 0.20 -0.04 2.12 2.24 2bhlA1 VAL 341 HG13 -0.29 0.01 -0.10 -0.04 0.97 0.55 2bhlA1 VAL 341 HG23 -0.03 0.01 -0.10 -0.04 0.95 0.79 2bhlA1 LEU 342 H -0.17 0.75 0.37 -0.55 8.37 8.77 2bhlA1 LEU 342 HA -0.10 0.17 0.93 -0.75 4.35 4.59 2bhlA1 LEU 342 HB2 -0.13 -0.00 -0.02 -0.04 1.64 1.45 2bhlA1 LEU 342 HB3 -0.16 0.02 -0.03 -0.04 1.64 1.44 2bhlA1 LEU 342 HG -0.11 -0.07 -0.31 -0.04 1.64 1.11 2bhlA1 LEU 342 HD13 -0.05 -0.00 -0.13 -0.04 0.93 0.70 2bhlA1 LEU 342 HD23 -0.30 0.00 -0.08 -0.04 0.89 0.47 2bhlA1 TYR 343 H 0.05 0.24 0.14 -0.55 8.29 8.17 2bhlA1 TYR 343 HA 0.14 0.30 0.95 -0.75 4.56 5.19 2bhlA1 TYR 343 HB2 0.02 -0.06 0.04 -0.04 3.06 3.02 2bhlA1 TYR 343 HB3 0.07 -0.02 -0.13 -0.04 2.98 2.86 2bhlA1 TYR 343 HD2 0.05 0.01 -0.25 -0.04 7.15 6.92 2bhlA1 TYR 343 HE2 0.03 0.14 -0.14 -0.04 6.85 6.84 2bhlA1 VAL 344 H 0.18 0.33 0.07 -0.55 8.24 8.27 2bhlA1 VAL 344 HA -0.02 0.23 0.72 -0.75 4.13 4.30 2bhlA1 VAL 344 HB 0.07 0.01 0.10 -0.04 2.12 2.26 2bhlA1 VAL 344 HG13 0.11 -0.00 -0.23 -0.04 0.97 0.80 2bhlA1 VAL 344 HG23 -0.64 0.01 -0.14 -0.04 0.95 0.13 2bhlA1 GLU 345 H 0.07 0.74 0.29 -0.55 8.60 9.16 2bhlA1 GLU 345 HA 0.13 -0.00 0.64 -0.75 4.29 4.30 2bhlA1 GLU 345 HB2 0.05 0.13 0.22 -0.04 2.09 2.45 2bhlA1 GLU 345 HB3 0.05 -0.04 0.14 -0.04 1.99 2.10 2bhlA1 GLU 345 HG2 0.03 -0.03 0.01 -0.04 2.34 2.31 2bhlA1 GLU 345 HG3 0.06 -0.03 0.01 -0.04 2.34 2.34 2bhlA1 ASN 346 H 0.16 0.31 0.26 -0.55 8.53 8.71 2bhlA1 ASN 346 HA 0.07 0.12 0.41 -0.75 4.76 4.61 2bhlA1 ASN 346 HB2 0.09 -0.08 0.20 -0.04 2.88 3.04 2bhlA1 ASN 346 HB3 0.11 0.29 -0.15 -0.04 2.79 2.99 2bhlA1 ASN 346 HD21 0.38 0.13 -0.08 -0.04 7.03 7.42 2bhlA1 ASN 346 HD22 0.16 0.06 -0.08 -0.04 7.74 7.84 2bhlA1 GLU 347 H 0.05 0.19 0.16 -0.55 8.60 8.46 2bhlA1 GLU 347 HA 0.03 0.09 0.44 -0.75 4.29 4.09 2bhlA1 GLU 347 HB2 0.02 -0.02 0.19 -0.04 2.09 2.24 2bhlA1 GLU 347 HB3 0.00 0.06 0.01 -0.04 1.99 2.02 2bhlA1 GLU 347 HG2 0.01 0.04 0.08 -0.04 2.34 2.43 2bhlA1 GLU 347 HG3 0.01 -0.01 0.08 -0.04 2.34 2.38 2bhlA1 ARG 348 H 0.01 0.01 -0.22 -0.55 8.46 7.71 2bhlA1 ARG 348 HA -0.18 0.10 0.58 -0.75 4.34 4.09 2bhlA1 ARG 348 HB2 -0.14 -0.03 0.07 -0.04 1.90 1.77 2bhlA1 ARG 348 HB3 -0.16 -0.02 0.06 -0.04 1.80 1.63 2bhlA1 ARG 348 HG2 -1.95 -0.00 -0.28 -0.04 1.67 -0.60 2bhlA1 ARG 348 HG3 -0.57 -0.05 0.15 -0.04 1.67 1.16 2bhlA1 ARG 348 HD2 0.05 0.10 -0.02 -0.04 3.22 3.31 2bhlA1 ARG 348 HD3 -0.17 0.23 0.06 -0.04 3.22 3.30 2bhlA1 TRP 349 H 0.20 -0.02 -0.08 -0.55 7.97 7.52 2bhlA1 TRP 349 HA 0.13 0.20 0.96 -0.75 4.62 5.15 2bhlA1 TRP 349 HB2 0.15 0.01 0.02 -0.04 3.23 3.38 2bhlA1 TRP 349 HB3 0.35 0.01 0.13 -0.04 3.23 3.68 2bhlA1 TRP 349 HD1 0.12 -0.08 -0.06 -0.04 7.22 7.16 2bhlA1 TRP 349 HE1 0.24 0.48 0.11 -0.04 10.20 10.99 2bhlA1 TRP 349 HE3 0.06 0.00 -0.05 -0.04 7.59 7.56 2bhlA1 TRP 349 HZ2 0.67 0.25 -0.02 -0.04 7.44 8.31 2bhlA1 TRP 349 HZ3 -0.25 -0.01 -0.21 -0.04 7.13 6.62 2bhlA1 TRP 349 HH2 -0.37 -0.04 -0.17 -0.04 7.19 6.57 2bhlA1 ASP 350 H 0.17 0.49 0.05 -0.55 8.40 8.56 2bhlA1 ASP 350 HA 0.18 -0.04 0.52 -0.75 4.63 4.54 2bhlA1 ASP 350 HB2 0.10 0.26 0.18 -0.04 2.71 3.20 2bhlA1 ASP 350 HB3 0.08 0.01 0.11 -0.04 2.70 2.86 2bhlA1 GLY 351 H 0.21 0.06 0.16 -0.55 8.43 8.31 2bhlA1 GLY 351 HA2 0.10 -0.08 0.34 -0.51 4.01 3.87 2bhlA1 GLY 351 HA3 0.13 0.12 0.48 -0.51 4.01 4.23 2bhlA1 VAL 352 H 0.29 0.45 -0.29 -0.55 8.24 8.15 2bhlA1 VAL 352 HA 0.13 0.22 0.53 -0.75 4.13 4.25 2bhlA1 VAL 352 HB 0.42 -0.09 0.09 -0.04 2.12 2.50 2bhlA1 VAL 352 HG13 -0.11 0.02 -0.28 -0.04 0.97 0.56 2bhlA1 VAL 352 HG23 0.26 0.04 -0.00 -0.04 0.95 1.21 2bhlA1 PRO 353 HA -0.55 0.16 0.73 -0.51 4.44 4.26 2bhlA1 PRO 353 HB2 -0.15 -0.11 0.00 -0.04 2.28 1.98 2bhlA1 PRO 353 HB3 -0.21 -0.03 0.08 -0.04 2.02 1.81 2bhlA1 PRO 353 HG2 0.04 0.10 0.14 -0.04 2.03 2.27 2bhlA1 PRO 353 HG3 0.21 0.09 0.19 -0.04 2.03 2.48 2bhlA1 PRO 353 HD2 -0.05 0.10 0.45 -0.04 3.68 4.15 2bhlA1 PRO 353 HD3 0.11 0.26 0.45 -0.04 3.65 4.43 2bhlA1 PHE 354 H -0.22 0.71 0.35 -0.55 8.34 8.63 2bhlA1 PHE 354 HA -0.24 0.20 0.98 -0.75 4.62 4.80 2bhlA1 PHE 354 HB2 -0.27 -0.00 0.11 -0.04 3.15 2.95 2bhlA1 PHE 354 HB3 -0.23 -0.06 -0.01 -0.04 3.06 2.72 2bhlA1 PHE 354 HD2 -0.28 0.04 -0.07 -0.04 7.28 6.93 2bhlA1 PHE 354 HE2 -0.50 0.02 -0.09 -0.04 7.38 6.78 2bhlA1 PHE 354 HZ -2.66 0.04 -0.12 -0.04 7.32 4.54 2bhlA1 ILE 355 H -0.19 0.92 0.39 -0.55 8.25 8.81 2bhlA1 ILE 355 HA -0.12 0.20 0.97 -0.75 4.18 4.47 2bhlA1 ILE 355 HB -0.21 -0.06 0.21 -0.04 1.89 1.78 2bhlA1 ILE 355 HG12 -0.12 -0.01 -0.09 -0.04 1.49 1.23 2bhlA1 ILE 355 HG13 -0.16 -0.00 -0.20 -0.04 1.21 0.81 2bhlA1 ILE 355 HG23 -0.17 -0.03 -0.18 -0.04 0.93 0.51 2bhlA1 ILE 355 HD13 -0.18 0.01 -0.11 -0.04 0.88 0.56 2bhlA1 LEU 356 H -0.09 0.93 0.38 -0.55 8.37 9.04 2bhlA1 LEU 356 HA -0.08 0.24 1.03 -0.75 4.35 4.78 2bhlA1 LEU 356 HB2 -0.04 -0.07 0.23 -0.04 1.64 1.72 2bhlA1 LEU 356 HB3 -0.07 -0.09 0.01 -0.04 1.64 1.46 2bhlA1 LEU 356 HG -0.03 0.11 -0.15 -0.04 1.64 1.53 2bhlA1 LEU 356 HD13 0.05 -0.03 -0.16 -0.04 0.93 0.75 2bhlA1 LEU 356 HD23 -0.04 0.02 -0.44 -0.04 0.89 0.39 2bhlA1 ARG 357 H -0.11 0.66 0.20 -0.55 8.46 8.66 2bhlA1 ARG 357 HA -0.25 0.22 1.13 -0.75 4.34 4.69 2bhlA1 ARG 357 HB2 -0.14 -0.02 -0.04 -0.04 1.90 1.65 2bhlA1 ARG 357 HB3 -0.10 -0.06 0.14 -0.04 1.80 1.74 2bhlA1 ARG 357 HG2 -0.02 0.02 -0.11 -0.04 1.67 1.52 2bhlA1 ARG 357 HG3 -0.09 -0.01 -0.00 -0.04 1.67 1.52 2bhlA1 ARG 357 HD2 -0.13 0.00 -0.12 -0.04 3.22 2.93 2bhlA1 ARG 357 HD3 -0.06 -0.02 -0.11 -0.04 3.22 2.99 2bhlA1 CYS 358 H -0.37 0.71 0.38 -0.55 8.50 8.67 2bhlA1 CYS 358 HA 0.07 0.40 1.15 -0.75 4.58 5.45 2bhlA1 CYS 358 HB2 0.01 -0.01 0.02 -0.04 2.97 2.95 2bhlA1 CYS 358 HB3 -0.08 -0.00 -0.18 -0.04 2.97 2.67 2bhlA1 GLY 359 H 0.18 0.63 0.43 -0.55 8.43 9.13 2bhlA1 GLY 359 HA2 0.16 0.14 0.92 -0.51 4.01 4.73 2bhlA1 GLY 359 HA3 0.30 0.03 0.34 -0.51 4.01 4.17 2bhlA1 LYS 360 H 0.20 0.46 0.32 -0.55 8.42 8.85 2bhlA1 LYS 360 HA -0.08 0.10 1.02 -0.75 4.32 4.61 2bhlA1 LYS 360 HB2 0.09 0.07 0.18 -0.04 1.87 2.17 2bhlA1 LYS 360 HB3 -0.07 -0.06 0.08 -0.04 1.79 1.70 2bhlA1 LYS 360 HG2 0.03 0.04 0.04 -0.04 1.46 1.54 2bhlA1 LYS 360 HG3 0.17 -0.01 -0.14 -0.04 1.46 1.44 2bhlA1 LYS 360 HD2 -0.22 -0.04 -0.07 -0.04 1.69 1.31 2bhlA1 LYS 360 HD3 0.00 0.00 -0.20 -0.04 1.68 1.44 2bhlA1 LYS 360 HE2 0.25 0.00 -0.11 -0.04 2.99 3.09 2bhlA1 LYS 360 HE3 0.06 -0.05 -0.10 -0.04 2.99 2.86 2bhlA1 ALA 361 H -0.33 0.70 0.21 -0.55 8.40 8.43 2bhlA1 ALA 361 HA -0.76 0.06 -0.07 -0.75 4.34 2.81 2bhlA1 ALA 361 HB3 -1.34 -0.01 0.01 -0.04 1.41 0.03 2bhlA1 LEU 362 H -0.23 0.49 0.01 -0.55 8.37 8.09 2bhlA1 LEU 362 HA -0.08 0.30 0.66 -0.75 4.35 4.48 2bhlA1 LEU 362 HB2 -0.12 -0.04 0.00 -0.04 1.64 1.44 2bhlA1 LEU 362 HB3 -0.09 -0.02 0.16 -0.04 1.64 1.65 2bhlA1 LEU 362 HG -0.06 -0.08 -0.62 -0.04 1.64 0.83 2bhlA1 LEU 362 HD13 -0.00 -0.04 -0.10 -0.04 0.93 0.75 2bhlA1 LEU 362 HD23 -0.20 0.01 -0.49 -0.04 0.89 0.17 2bhlA1 ASN 363 H -0.07 0.10 0.04 -0.55 8.53 8.05 2bhlA1 ASN 363 HA -0.01 0.15 0.69 -0.75 4.76 4.83 2bhlA1 ASN 363 HB2 -0.01 -0.08 0.13 -0.04 2.88 2.87 2bhlA1 ASN 363 HB3 -0.02 0.21 0.06 -0.04 2.79 3.00 2bhlA1 ASN 363 HD21 -0.04 -0.03 -0.15 -0.04 7.03 6.77 2bhlA1 ASN 363 HD22 -0.02 -0.00 -0.08 -0.04 7.74 7.59 2bhlA1 GLU 364 H -0.10 0.15 -0.36 -0.55 8.60 7.74 2bhlA1 GLU 364 HA -0.06 0.09 0.39 -0.75 4.29 3.95 2bhlA1 GLU 364 HB2 -0.05 -0.00 0.02 -0.04 2.09 2.02 2bhlA1 GLU 364 HB3 -0.05 0.14 -0.57 -0.04 1.99 1.47 2bhlA1 GLU 364 HG2 -0.08 -0.08 -0.33 -0.04 2.34 1.81 2bhlA1 GLU 364 HG3 -0.10 -0.03 -0.73 -0.04 2.34 1.44 2bhlA1 ARG 365 H -0.08 0.22 0.05 -0.55 8.46 8.10 2bhlA1 ARG 365 HA -0.25 0.38 0.78 -0.75 4.34 4.49 2bhlA1 ARG 365 HB2 -0.10 -0.08 0.09 -0.04 1.90 1.76 2bhlA1 ARG 365 HB3 -0.06 -0.01 0.21 -0.04 1.80 1.91 2bhlA1 ARG 365 HG2 -0.19 0.20 0.09 -0.04 1.67 1.73 2bhlA1 ARG 365 HG3 -0.19 -0.11 0.14 -0.04 1.67 1.47 2bhlA1 ARG 365 HD2 0.05 -0.02 0.03 -0.04 3.22 3.24 2bhlA1 ARG 365 HD3 -0.01 -0.01 -0.06 -0.04 3.22 3.10 2bhlA1 LYS 366 H -0.24 0.32 0.18 -0.55 8.42 8.12 2bhlA1 LYS 366 HA -0.08 0.32 0.90 -0.75 4.32 4.70 2bhlA1 LYS 366 HB2 -0.08 -0.05 -0.35 -0.04 1.87 1.35 2bhlA1 LYS 366 HB3 -0.09 -0.06 -0.14 -0.04 1.79 1.46 2bhlA1 LYS 366 HG2 -0.03 0.07 0.02 -0.04 1.46 1.48 2bhlA1 LYS 366 HG3 -0.03 0.02 -0.02 -0.04 1.46 1.39 2bhlA1 LYS 366 HD2 -0.04 -0.05 -0.22 -0.04 1.69 1.34 2bhlA1 LYS 366 HD3 -0.01 -0.01 -0.17 -0.04 1.68 1.45 2bhlA1 LYS 366 HE2 0.01 0.01 -0.12 -0.04 2.99 2.85 2bhlA1 LYS 366 HE3 -0.02 -0.01 -0.14 -0.04 2.99 2.77 2bhlA1 ALA 367 H -0.04 0.76 0.28 -0.55 8.40 8.86 2bhlA1 ALA 367 HA 0.04 0.42 0.96 -0.75 4.34 5.01 2bhlA1 ALA 367 HB3 0.18 -0.03 0.12 -0.04 1.41 1.63 2bhlA1 GLU 368 H 0.01 0.50 0.32 -0.55 8.60 8.88 2bhlA1 GLU 368 HA -0.01 0.06 0.93 -0.75 4.29 4.52 2bhlA1 GLU 368 HB2 -0.03 0.05 -0.01 -0.04 2.09 2.06 2bhlA1 GLU 368 HB3 -0.01 -0.05 -0.26 -0.04 1.99 1.63 2bhlA1 GLU 368 HG2 -0.04 -0.09 -0.12 -0.04 2.34 2.05 2bhlA1 GLU 368 HG3 -0.05 0.11 -0.61 -0.04 2.34 1.74 2bhlA1 VAL 369 H -0.04 0.61 0.37 -0.55 8.24 8.63 2bhlA1 VAL 369 HA -0.05 0.20 0.95 -0.75 4.13 4.47 2bhlA1 VAL 369 HB -0.03 -0.04 0.14 -0.04 2.12 2.15 2bhlA1 VAL 369 HG13 -0.01 0.02 -0.06 -0.04 0.97 0.88 2bhlA1 VAL 369 HG23 0.00 0.00 -0.05 -0.04 0.95 0.87 2bhlA1 ARG 370 H -0.12 0.43 0.28 -0.55 8.46 8.49 2bhlA1 ARG 370 HA -0.16 0.26 0.88 -0.75 4.34 4.57 2bhlA1 ARG 370 HB2 -0.10 -0.04 -0.13 -0.04 1.90 1.60 2bhlA1 ARG 370 HB3 -0.11 0.01 0.10 -0.04 1.80 1.76 2bhlA1 ARG 370 HG2 -0.08 0.00 -0.35 -0.04 1.67 1.20 2bhlA1 ARG 370 HG3 -0.10 0.05 -0.06 -0.04 1.67 1.52 2bhlA1 ARG 370 HD2 0.03 -0.03 -0.12 -0.04 3.22 3.06 2bhlA1 ARG 370 HD3 0.06 0.02 -0.12 -0.04 3.22 3.14 2bhlA1 LEU 371 H -0.25 0.69 0.33 -0.55 8.37 8.59 2bhlA1 LEU 371 HA -0.39 0.27 1.17 -0.75 4.35 4.65 2bhlA1 LEU 371 HB2 -0.85 -0.12 0.14 -0.04 1.64 0.77 2bhlA1 LEU 371 HB3 -0.73 0.10 0.04 -0.04 1.64 1.01 2bhlA1 LEU 371 HG -0.42 -0.02 0.00 -0.04 1.64 1.16 2bhlA1 LEU 371 HD13 -1.21 0.02 -0.07 -0.04 0.93 -0.37 2bhlA1 LEU 371 HD23 -0.27 -0.06 -0.36 -0.04 0.89 0.16 2bhlA1 GLN 372 H -0.29 0.60 0.28 -0.55 8.47 8.51 2bhlA1 GLN 372 HA -0.16 0.22 1.01 -0.75 4.36 4.67 2bhlA1 GLN 372 HB2 0.02 -0.08 0.03 -0.04 2.15 2.08 2bhlA1 GLN 372 HB3 -0.07 -0.04 0.16 -0.04 2.02 2.03 2bhlA1 GLN 372 HG2 -0.06 0.17 -0.13 -0.04 2.40 2.34 2bhlA1 GLN 372 HG3 -0.05 0.06 0.04 -0.04 2.39 2.40 2bhlA1 GLN 372 HE21 -0.84 0.20 0.12 -0.04 6.97 6.41 2bhlA1 GLN 372 HE22 -0.11 -0.05 0.02 -0.04 7.69 7.51 2bhlA1 PHE 373 H 0.00 0.63 0.28 -0.55 8.34 8.70 2bhlA1 PHE 373 HA -0.16 0.01 0.91 -0.75 4.62 4.62 2bhlA1 PHE 373 HB2 -0.04 -0.10 0.15 -0.04 3.15 3.12 2bhlA1 PHE 373 HB3 -0.05 0.11 0.22 -0.04 3.06 3.30 2bhlA1 PHE 373 HD2 -0.10 0.14 -0.34 -0.04 7.28 6.94 2bhlA1 PHE 373 HE2 -0.16 0.00 -0.11 -0.04 7.38 7.07 2bhlA1 PHE 373 HZ -0.27 -0.02 -0.09 -0.04 7.32 6.90 2bhlA1 HIS 374 H 0.07 0.62 0.27 -0.55 8.41 8.82 2bhlA1 HIS 374 HA 0.03 0.06 0.54 -0.75 4.63 4.50 2bhlA1 HIS 374 HB2 0.06 0.07 0.07 -0.04 3.26 3.42 2bhlA1 HIS 374 HB3 0.03 0.02 0.08 -0.04 3.20 3.29 2bhlA1 HIS 374 HD2 0.03 0.17 -0.11 -0.04 6.97 7.02 2bhlA1 HIS 374 HE1 0.02 0.08 0.04 -0.04 7.75 7.84 2bhlA1 ASP 375 H 0.10 0.11 0.14 -0.55 8.40 8.20 2bhlA1 ASP 375 HA 0.06 0.05 0.50 -0.75 4.63 4.48 2bhlA1 ASP 375 HB2 0.02 0.02 -0.01 -0.04 2.71 2.69 2bhlA1 ASP 375 HB3 0.03 -0.03 0.03 -0.04 2.70 2.68 2bhlA1 VAL 376 H 0.05 0.05 0.07 -0.55 8.24 7.86 2bhlA1 VAL 376 HA 0.04 0.10 0.42 -0.75 4.13 3.94 2bhlA1 VAL 376 HB 0.04 0.07 0.05 -0.04 2.12 2.24 2bhlA1 VAL 376 HG13 0.04 0.01 0.04 -0.04 0.97 1.01 2bhlA1 VAL 376 HG23 0.07 -0.02 -0.18 -0.04 0.95 0.79 2bhlA1 ALA 377 H 0.02 0.11 0.14 -0.55 8.40 8.13 2bhlA1 ALA 377 HA 0.00 0.07 0.58 -0.75 4.34 4.24 2bhlA1 ALA 377 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 2bhlA1 GLY 378 H -0.01 0.10 0.10 -0.55 8.43 8.08 2bhlA1 GLY 378 HA2 -0.02 -0.02 0.36 -0.51 4.01 3.82 2bhlA1 GLY 378 HA3 -0.02 0.07 0.36 -0.51 4.01 3.91 2bhlA1 ASP 379 H -0.02 0.11 0.06 -0.55 8.40 8.00 2bhlA1 ASP 379 HA 0.00 0.13 0.53 -0.75 4.63 4.54 2bhlA1 ASP 379 HB2 0.01 0.14 0.06 -0.04 2.71 2.88 2bhlA1 ASP 379 HB3 -0.01 -0.00 0.14 -0.04 2.70 2.78 2bhlA1 ILE 380 H -0.21 0.25 0.19 -0.55 8.25 7.93 2bhlA1 ILE 380 HA -0.31 0.22 0.87 -0.75 4.18 4.21 2bhlA1 ILE 380 HB -0.40 0.01 0.15 -0.04 1.89 1.61 2bhlA1 ILE 380 HG12 -0.67 -0.01 0.06 -0.04 1.49 0.83 2bhlA1 ILE 380 HG13 -1.66 0.01 -0.17 -0.04 1.21 -0.66 2bhlA1 ILE 380 HG23 -0.18 0.05 -0.10 -0.04 0.93 0.67 2bhlA1 ILE 380 HD13 -0.26 0.01 0.00 -0.04 0.88 0.59 2bhlA1 PHE 381 H -0.10 -0.00 -0.11 -0.55 8.34 7.57 2bhlA1 PHE 381 HA -0.11 0.31 0.88 -0.75 4.62 4.95 2bhlA1 PHE 381 HB2 -0.03 -0.06 0.02 -0.04 3.15 3.03 2bhlA1 PHE 381 HB3 -0.03 0.07 0.14 -0.04 3.06 3.20 2bhlA1 PHE 381 HD2 -0.02 0.00 -0.02 -0.04 7.28 7.21 2bhlA1 PHE 381 HE2 0.01 0.05 -0.04 -0.04 7.38 7.35 2bhlA1 PHE 381 HZ 0.00 0.02 -0.04 -0.04 7.32 7.26 2bhlA1 HIS 382 H -0.21 0.15 -0.27 -0.55 8.41 7.54 2bhlA1 HIS 382 HA 0.02 0.06 0.26 -0.75 4.63 4.22 2bhlA1 HIS 382 HB2 0.05 0.16 -0.21 -0.04 3.26 3.21 2bhlA1 HIS 382 HB3 0.03 0.03 0.18 -0.04 3.20 3.39 2bhlA1 HIS 382 HD2 0.01 0.01 -0.02 -0.04 6.97 6.92 2bhlA1 HIS 382 HE1 0.05 0.01 -0.03 -0.04 7.75 7.73 2bhlA1 GLN 383 H 0.07 0.03 -0.09 -0.55 8.47 7.93 2bhlA1 GLN 383 HA 0.04 0.03 0.31 -0.75 4.36 3.98 2bhlA1 GLN 383 HB2 0.05 0.29 0.13 -0.04 2.15 2.58 2bhlA1 GLN 383 HB3 0.02 0.03 0.14 -0.04 2.02 2.17 2bhlA1 GLN 383 HG2 0.05 -0.14 -0.14 -0.04 2.40 2.14 2bhlA1 GLN 383 HG3 0.05 0.03 -0.19 -0.04 2.39 2.24 2bhlA1 GLN 383 HE21 0.01 0.02 -0.01 -0.04 6.97 6.95 2bhlA1 GLN 383 HE22 0.02 -0.03 -0.03 -0.04 7.69 7.62 2bhlA1 GLN 384 H 0.09 0.25 -0.77 -0.55 8.47 7.50 2bhlA1 GLN 384 HA 0.01 0.08 0.36 -0.75 4.36 4.05 2bhlA1 GLN 384 HB2 0.04 -0.04 -0.01 -0.04 2.15 2.10 2bhlA1 GLN 384 HB3 -0.02 0.02 0.12 -0.04 2.02 2.10 2bhlA1 GLN 384 HG2 0.04 -0.00 0.04 -0.04 2.40 2.44 2bhlA1 GLN 384 HG3 0.12 0.39 0.17 -0.04 2.39 3.04 2bhlA1 GLN 384 HE21 -0.10 -0.13 0.06 -0.04 6.97 6.77 2bhlA1 GLN 384 HE22 0.11 0.06 0.02 -0.04 7.69 7.85 2bhlA1 CYS 385 H 0.04 -0.14 -0.62 -0.55 8.50 7.23 2bhlA1 CYS 385 HA -0.03 0.10 0.54 -0.75 4.58 4.43 2bhlA1 CYS 385 HB2 0.06 -0.13 -0.04 -0.04 2.97 2.81 2bhlA1 CYS 385 HB3 0.01 0.10 -0.17 -0.04 2.97 2.88 2bhlA1 LYS 386 H -0.03 0.11 0.08 -0.55 8.42 8.02 2bhlA1 LYS 386 HA -0.03 0.18 0.76 -0.75 4.32 4.48 2bhlA1 LYS 386 HB2 -0.03 -0.05 0.01 -0.04 1.87 1.76 2bhlA1 LYS 386 HB3 -0.02 0.09 -0.05 -0.04 1.79 1.78 2bhlA1 LYS 386 HG2 -0.05 -0.04 -0.04 -0.04 1.46 1.28 2bhlA1 LYS 386 HG3 -0.05 0.10 -0.19 -0.04 1.46 1.28 2bhlA1 LYS 386 HD2 -0.04 -0.05 -0.03 -0.04 1.69 1.53 2bhlA1 LYS 386 HD3 -0.05 -0.06 -0.03 -0.04 1.68 1.50 2bhlA1 LYS 386 HE2 -0.05 -0.05 -0.06 -0.04 2.99 2.79 2bhlA1 LYS 386 HE3 -0.04 0.06 -0.28 -0.04 2.99 2.69 2bhlA1 ARG 387 H -0.02 0.11 0.07 -0.55 8.46 8.07 2bhlA1 ARG 387 HA 0.04 0.02 0.39 -0.75 4.34 4.04 2bhlA1 ARG 387 HB2 -0.03 -0.10 0.11 -0.04 1.90 1.85 2bhlA1 ARG 387 HB3 0.03 0.20 0.01 -0.04 1.80 2.00 2bhlA1 ARG 387 HG2 0.06 0.15 -0.19 -0.04 1.67 1.65 2bhlA1 ARG 387 HG3 0.01 -0.14 -0.04 -0.04 1.67 1.46 2bhlA1 ARG 387 HD2 -0.06 -0.10 0.03 -0.04 3.22 3.06 2bhlA1 ARG 387 HD3 -0.01 0.11 0.00 -0.04 3.22 3.28 2bhlA1 ASN 388 H 0.09 0.12 0.19 -0.55 8.53 8.39 2bhlA1 ASN 388 HA 0.07 0.21 0.51 -0.75 4.76 4.79 2bhlA1 ASN 388 HB2 0.08 -0.01 0.16 -0.04 2.88 3.07 2bhlA1 ASN 388 HB3 0.05 -0.01 0.08 -0.04 2.79 2.87 2bhlA1 ASN 388 HD21 -0.04 -0.07 0.06 -0.04 7.03 6.95 2bhlA1 ASN 388 HD22 -0.10 0.02 0.05 -0.04 7.74 7.67 2bhlA1 GLU 389 H 0.11 0.49 0.34 -0.55 8.60 9.00 2bhlA1 GLU 389 HA 0.10 0.35 1.02 -0.75 4.29 5.00 2bhlA1 GLU 389 HB2 0.03 -0.11 0.08 -0.04 2.09 2.05 2bhlA1 GLU 389 HB3 -0.04 -0.03 -0.09 -0.04 1.99 1.79 2bhlA1 GLU 389 HG2 -0.03 0.04 0.11 -0.04 2.34 2.42 2bhlA1 GLU 389 HG3 0.03 0.16 -0.67 -0.04 2.34 1.82 2bhlA1 LEU 390 H 0.02 0.42 0.32 -0.55 8.37 8.58 2bhlA1 LEU 390 HA -0.04 0.16 0.94 -0.75 4.35 4.66 2bhlA1 LEU 390 HB2 0.14 0.01 0.07 -0.04 1.64 1.82 2bhlA1 LEU 390 HB3 -0.12 -0.03 0.20 -0.04 1.64 1.65 2bhlA1 LEU 390 HG -0.14 -0.04 -0.22 -0.04 1.64 1.19 2bhlA1 LEU 390 HD13 -0.16 0.02 -0.04 -0.04 0.93 0.72 2bhlA1 LEU 390 HD23 -0.24 0.01 -0.08 -0.04 0.89 0.54 2bhlA1 VAL 391 H -0.33 0.86 0.46 -0.55 8.24 8.68 2bhlA1 VAL 391 HA -0.24 0.26 1.15 -0.75 4.13 4.56 2bhlA1 VAL 391 HB -1.55 -0.09 0.12 -0.04 2.12 0.56 2bhlA1 VAL 391 HG13 -0.19 -0.01 -0.09 -0.04 0.97 0.64 2bhlA1 VAL 391 HG23 -0.31 0.02 -0.17 -0.04 0.95 0.44 2bhlA1 ILE 392 H -0.13 0.76 0.26 -0.55 8.25 8.59 2bhlA1 ILE 392 HA -0.07 0.21 1.12 -0.75 4.18 4.68 2bhlA1 ILE 392 HB -0.04 -0.09 0.23 -0.04 1.89 1.95 2bhlA1 ILE 392 HG12 -0.05 0.03 -0.10 -0.04 1.49 1.33 2bhlA1 ILE 392 HG13 -0.07 -0.06 -0.38 -0.04 1.21 0.65 2bhlA1 ILE 392 HG23 -0.05 0.00 -0.14 -0.04 0.93 0.70 2bhlA1 ILE 392 HD13 0.05 0.01 -0.10 -0.04 0.88 0.80 2bhlA1 ARG 393 H 0.01 0.50 0.19 -0.55 8.46 8.60 2bhlA1 ARG 393 HA -0.01 0.03 0.81 -0.75 4.34 4.41 2bhlA1 ARG 393 HB2 0.13 -0.04 0.07 -0.04 1.90 2.02 2bhlA1 ARG 393 HB3 0.04 -0.02 0.19 -0.04 1.80 1.98 2bhlA1 ARG 393 HG2 -0.00 -0.05 -0.20 -0.04 1.67 1.37 2bhlA1 ARG 393 HG3 0.03 -0.06 -0.08 -0.04 1.67 1.52 2bhlA1 ARG 393 HD2 0.01 0.34 -0.06 -0.04 3.22 3.46 2bhlA1 ARG 393 HD3 0.01 -0.06 -0.19 -0.04 3.22 2.93 2bhlA1 VAL 394 H -0.03 0.47 0.51 -0.55 8.24 8.64 2bhlA1 VAL 394 HA -0.09 -0.09 0.45 -0.75 4.13 3.64 2bhlA1 VAL 394 HB -0.02 0.20 0.15 -0.04 2.12 2.41 2bhlA1 VAL 394 HG13 -0.19 -0.06 -0.06 -0.04 0.97 0.62 2bhlA1 VAL 394 HG23 -0.02 -0.01 -0.06 -0.04 0.95 0.82 2bhlA1 GLN 395 H -0.03 0.47 0.12 -0.55 8.47 8.48 2bhlA1 GLN 395 HA -0.04 -0.06 0.28 -0.75 4.36 3.79 2bhlA1 GLN 395 HB2 -0.03 -0.04 0.07 -0.04 2.15 2.11 2bhlA1 GLN 395 HB3 -0.07 0.15 -0.18 -0.04 2.02 1.87 2bhlA1 GLN 395 HG2 -0.04 -0.06 -0.07 -0.04 2.40 2.19 2bhlA1 GLN 395 HG3 -0.03 0.03 -0.28 -0.04 2.39 2.07 2bhlA1 GLN 395 HE21 0.12 -0.02 -0.08 -0.04 6.97 6.95 2bhlA1 GLN 395 HE22 -0.00 0.02 -0.18 -0.04 7.69 7.48 2bhlA1 PRO 396 HA -0.02 0.05 0.34 -0.51 4.44 4.31 2bhlA1 PRO 396 HB2 -0.00 -0.02 0.10 -0.04 2.28 2.31 2bhlA1 PRO 396 HB3 -0.00 0.03 0.13 -0.04 2.02 2.13 2bhlA1 PRO 396 HG2 -0.01 0.02 -0.01 -0.04 2.03 2.00 2bhlA1 PRO 396 HG3 -0.01 0.05 0.11 -0.04 2.03 2.14 2bhlA1 PRO 396 HD2 -0.03 0.10 0.60 -0.04 3.68 4.30 2bhlA1 PRO 396 HD3 -0.03 0.23 0.05 -0.04 3.65 3.85 2bhlA1 ASN 397 H -0.00 0.12 0.11 -0.55 8.53 8.21 2bhlA1 ASN 397 HA 0.01 -0.00 0.37 -0.75 4.76 4.39 2bhlA1 ASN 397 HB2 -0.00 -0.02 -0.11 -0.04 2.88 2.71 2bhlA1 ASN 397 HB3 -0.00 0.13 0.09 -0.04 2.79 2.97 2bhlA1 ASN 397 HD21 -0.01 -0.03 -0.03 -0.04 7.03 6.93 2bhlA1 ASN 397 HD22 -0.01 0.04 -0.03 -0.04 7.74 7.70 2bhlA1 GLU 398 H -0.02 0.02 -0.05 -0.55 8.60 7.99 2bhlA1 GLU 398 HA -0.11 0.31 0.28 -0.75 4.29 4.02 2bhlA1 GLU 398 HB2 -0.11 -0.08 0.14 -0.04 2.09 2.01 2bhlA1 GLU 398 HB3 -0.36 0.01 0.04 -0.04 1.99 1.64 2bhlA1 GLU 398 HG2 -0.09 -0.10 0.11 -0.04 2.34 2.22 2bhlA1 GLU 398 HG3 -0.10 0.44 0.11 -0.04 2.34 2.74 2bhlA1 ALA 399 H -0.08 0.52 0.38 -0.55 8.40 8.67 2bhlA1 ALA 399 HA -0.06 0.14 0.68 -0.75 4.34 4.35 2bhlA1 ALA 399 HB3 0.09 -0.03 -0.02 -0.04 1.41 1.40 2bhlA1 VAL 400 H 0.13 0.44 0.23 -0.55 8.24 8.50 2bhlA1 VAL 400 HA 0.02 0.30 1.09 -0.75 4.13 4.78 2bhlA1 VAL 400 HB 0.01 -0.03 0.03 -0.04 2.12 2.09 2bhlA1 VAL 400 HG13 0.15 -0.00 0.08 -0.04 0.97 1.15 2bhlA1 VAL 400 HG23 -0.02 0.02 -0.07 -0.04 0.95 0.84 2bhlA1 TYR 401 H -0.19 0.67 0.40 -0.55 8.29 8.62 2bhlA1 TYR 401 HA 0.06 0.22 0.85 -0.75 4.56 4.94 2bhlA1 TYR 401 HB2 0.03 0.07 -0.03 -0.04 3.06 3.10 2bhlA1 TYR 401 HB3 0.03 -0.15 -0.08 -0.04 2.98 2.74 2bhlA1 TYR 401 HD2 0.01 -0.04 -0.31 -0.04 7.15 6.77 2bhlA1 TYR 401 HE2 0.00 0.02 -0.12 -0.04 6.85 6.71 2bhlA1 THR 402 H 0.19 0.56 0.33 -0.55 8.28 8.80 2bhlA1 THR 402 HA 0.02 0.40 1.34 -0.75 4.39 5.39 2bhlA1 THR 402 HB 0.08 0.06 -0.06 -0.04 4.32 4.36 2bhlA1 THR 402 HG23 0.15 -0.01 -0.11 -0.04 1.22 1.22 2bhlA1 LYS 403 H 0.06 0.60 0.33 -0.55 8.42 8.86 2bhlA1 LYS 403 HA 0.12 0.17 0.83 -0.75 4.32 4.68 2bhlA1 LYS 403 HB2 0.07 -0.04 0.27 -0.04 1.87 2.13 2bhlA1 LYS 403 HB3 0.08 0.07 0.10 -0.04 1.79 1.99 2bhlA1 LYS 403 HG2 0.24 -0.01 0.00 -0.04 1.46 1.65 2bhlA1 LYS 403 HG3 0.15 -0.00 0.04 -0.04 1.46 1.60 2bhlA1 LYS 403 HD2 0.15 -0.04 -0.05 -0.04 1.69 1.71 2bhlA1 LYS 403 HD3 0.07 0.04 -0.01 -0.04 1.68 1.75 2bhlA1 LYS 403 HE2 0.07 0.05 -0.02 -0.04 2.99 3.04 2bhlA1 LYS 403 HE3 0.12 -0.01 -0.04 -0.04 2.99 3.02 2bhlA1 MET 404 H 0.04 0.29 0.13 -0.55 8.47 8.38 2bhlA1 MET 404 HA 0.01 0.18 0.75 -0.75 4.52 4.71 2bhlA1 MET 404 HB2 -0.01 -0.02 0.12 -0.04 2.15 2.20 2bhlA1 MET 404 HB3 0.01 0.04 -0.04 -0.04 2.03 2.00 2bhlA1 MET 404 HG2 0.02 -0.00 -0.08 -0.04 2.63 2.53 2bhlA1 MET 404 HG3 0.04 0.16 -0.11 -0.04 2.56 2.61 2bhlA1 MET 404 HE3 -0.02 -0.04 -0.43 -0.04 2.10 1.57 2bhlA1 MET 405 H -0.04 0.19 0.14 -0.55 8.47 8.21 2bhlA1 MET 405 HA -0.06 0.25 0.92 -0.75 4.52 4.88 2bhlA1 MET 405 HB2 -0.11 -0.03 0.07 -0.04 2.15 2.03 2bhlA1 MET 405 HB3 -0.16 0.02 -0.08 -0.04 2.03 1.77 2bhlA1 MET 405 HG2 -0.04 0.03 -0.20 -0.04 2.63 2.38 2bhlA1 MET 405 HG3 -0.08 -0.05 -0.05 -0.04 2.56 2.34 2bhlA1 MET 405 HE3 -0.10 0.06 -0.28 -0.04 2.10 1.74 2bhlA1 THR 406 H -0.07 0.84 0.32 -0.55 8.28 8.82 2bhlA1 THR 406 HA -0.06 0.12 0.77 -0.75 4.39 4.46 2bhlA1 THR 406 HB -0.03 -0.06 -0.15 -0.04 4.32 4.04 2bhlA1 THR 406 HG23 -0.03 0.07 -0.24 -0.04 1.22 0.97 2bhlA1 LYS 407 H -0.04 0.09 0.09 -0.55 8.42 8.01 2bhlA1 LYS 407 HA -0.07 0.10 0.43 -0.75 4.32 4.03 2bhlA1 LYS 407 HB2 0.00 -0.04 0.05 -0.04 1.87 1.85 2bhlA1 LYS 407 HB3 0.01 -0.09 0.08 -0.04 1.79 1.75 2bhlA1 LYS 407 HG2 0.07 0.25 -0.40 -0.04 1.46 1.34 2bhlA1 LYS 407 HG3 0.08 0.05 -0.06 -0.04 1.46 1.49 2bhlA1 LYS 407 HD2 0.09 -0.08 0.04 -0.04 1.69 1.70 2bhlA1 LYS 407 HD3 0.05 -0.13 -0.01 -0.04 1.68 1.55 2bhlA1 LYS 407 HE2 0.14 0.74 0.23 -0.04 2.99 4.06 2bhlA1 LYS 407 HE3 0.09 -0.16 0.06 -0.04 2.99 2.93 2bhlA1 LYS 408 H -0.04 0.83 0.19 -0.55 8.42 8.84 2bhlA1 LYS 408 HA -0.07 0.02 0.33 -0.75 4.32 3.85 2bhlA1 LYS 408 HB2 -0.11 0.08 -0.08 -0.04 1.87 1.72 2bhlA1 LYS 408 HB3 0.01 -0.15 -0.07 -0.04 1.79 1.54 2bhlA1 LYS 408 HG2 -0.26 0.11 -0.07 -0.04 1.46 1.20 2bhlA1 LYS 408 HG3 -0.23 -0.03 -0.06 -0.04 1.46 1.10 2bhlA1 LYS 408 HD2 -0.49 -0.06 -0.08 -0.04 1.69 1.02 2bhlA1 LYS 408 HD3 -1.56 -0.03 -0.16 -0.04 1.68 -0.12 2bhlA1 LYS 408 HE2 -1.21 -0.03 -0.06 -0.04 2.99 1.65 2bhlA1 LYS 408 HE3 -0.46 0.03 -0.05 -0.04 2.99 2.47 2bhlA1 PRO 409 HA 0.07 0.04 0.48 -0.51 4.44 4.52 2bhlA1 PRO 409 HB2 0.04 -0.03 -0.02 -0.04 2.28 2.23 2bhlA1 PRO 409 HB3 0.02 0.02 0.11 -0.04 2.02 2.13 2bhlA1 PRO 409 HG2 -0.02 -0.02 0.09 -0.04 2.03 2.04 2bhlA1 PRO 409 HG3 -0.02 0.02 0.06 -0.04 2.03 2.05 2bhlA1 PRO 409 HD2 -0.07 0.02 0.16 -0.04 3.68 3.74 2bhlA1 PRO 409 HD3 -0.03 0.22 0.14 -0.04 3.65 3.94 2bhlA1 GLY 410 H 0.11 0.18 0.24 -0.55 8.43 8.41 2bhlA1 GLY 410 HA2 0.10 -0.01 0.31 -0.51 4.01 3.91 2bhlA1 GLY 410 HA3 0.28 0.14 0.82 -0.51 4.01 4.74 2bhlA1 MET 411 H -0.12 0.14 0.05 -0.55 8.47 7.99 2bhlA1 MET 411 HA -0.08 0.16 0.60 -0.75 4.52 4.44 2bhlA1 MET 411 HB2 -0.17 -0.04 0.12 -0.04 2.15 2.02 2bhlA1 MET 411 HB3 -0.46 0.00 0.20 -0.04 2.03 1.73 2bhlA1 MET 411 HG2 -0.13 -0.02 0.06 -0.04 2.63 2.49 2bhlA1 MET 411 HG3 -0.14 0.01 0.07 -0.04 2.56 2.46 2bhlA1 MET 411 HE3 -0.05 -0.01 0.00 -0.04 2.10 2.01 2bhlA1 PHE 412 H 0.19 0.56 -0.55 -0.55 8.34 7.99 2bhlA1 PHE 412 HA 0.19 0.09 0.82 -0.75 4.62 4.97 2bhlA1 PHE 412 HB2 0.01 0.26 -0.18 -0.04 3.15 3.20 2bhlA1 PHE 412 HB3 -0.01 -0.13 0.03 -0.04 3.06 2.90 2bhlA1 PHE 412 HD2 0.03 0.03 -0.30 -0.04 7.28 7.00 2bhlA1 PHE 412 HE2 0.02 -0.02 -0.04 -0.04 7.38 7.30 2bhlA1 PHE 412 HZ 0.01 -0.02 -0.05 -0.04 7.32 7.22 2bhlA1 PHE 413 H 0.38 0.02 0.17 -0.55 8.34 8.35 2bhlA1 PHE 413 HA 0.08 0.26 0.93 -0.75 4.62 5.14 2bhlA1 PHE 413 HB2 0.08 0.01 0.07 -0.04 3.15 3.27 2bhlA1 PHE 413 HB3 0.06 0.01 -0.05 -0.04 3.06 3.03 2bhlA1 PHE 413 HD2 0.09 -0.02 -0.00 -0.04 7.28 7.30 2bhlA1 PHE 413 HE2 0.08 0.01 0.00 -0.04 7.38 7.43 2bhlA1 PHE 413 HZ 0.06 0.00 -0.00 -0.04 7.32 7.35 2bhlA1 ASN 414 H -0.47 -0.10 0.11 -0.55 8.53 7.53 2bhlA1 ASN 414 HA -0.30 0.11 0.44 -0.75 4.76 4.25 2bhlA1 ASN 414 HB2 -0.18 0.17 0.03 -0.04 2.88 2.86 2bhlA1 ASN 414 HB3 -0.42 -0.00 0.12 -0.04 2.79 2.45 2bhlA1 ASN 414 HD21 -0.12 -0.01 -0.05 -0.04 7.03 6.81 2bhlA1 ASN 414 HD22 -0.14 0.11 -0.17 -0.04 7.74 7.50 2bhlA1 PRO 415 HA -0.15 0.15 0.63 -0.51 4.44 4.56 2bhlA1 PRO 415 HB2 -0.19 0.03 -0.15 -0.04 2.28 1.94 2bhlA1 PRO 415 HB3 -0.38 0.00 -0.07 -0.04 2.02 1.53 2bhlA1 PRO 415 HG2 -0.12 -0.01 -0.00 -0.04 2.03 1.85 2bhlA1 PRO 415 HG3 -0.43 0.03 0.03 -0.04 2.03 1.61 2bhlA1 PRO 415 HD2 -0.08 0.12 0.22 -0.04 3.68 3.90 2bhlA1 PRO 415 HD3 -0.05 0.10 0.24 -0.04 3.65 3.90 2bhlA1 GLU 416 H -0.10 1.02 0.39 -0.55 8.60 9.36 2bhlA1 GLU 416 HA -0.09 0.17 0.94 -0.75 4.29 4.56 2bhlA1 GLU 416 HB2 -0.10 -0.05 -0.11 -0.04 2.09 1.80 2bhlA1 GLU 416 HB3 -0.08 0.04 -0.16 -0.04 1.99 1.75 2bhlA1 GLU 416 HG2 -0.09 -0.04 0.11 -0.04 2.34 2.28 2bhlA1 GLU 416 HG3 -0.12 -0.00 -0.05 -0.04 2.34 2.12 2bhlA1 GLU 417 H -0.06 0.13 0.17 -0.55 8.60 8.29 2bhlA1 GLU 417 HA -0.04 0.21 0.75 -0.75 4.29 4.47 2bhlA1 GLU 417 HB2 -0.04 -0.03 0.15 -0.04 2.09 2.13 2bhlA1 GLU 417 HB3 -0.02 -0.04 0.08 -0.04 1.99 1.97 2bhlA1 GLU 417 HG2 0.01 0.14 0.06 -0.04 2.34 2.51 2bhlA1 GLU 417 HG3 -0.01 0.01 -0.02 -0.04 2.34 2.27 2bhlA1 SER 418 H -0.01 0.54 0.28 -0.55 8.46 8.72 2bhlA1 SER 418 HA -0.01 0.14 0.67 -0.75 4.49 4.54 2bhlA1 SER 418 HB2 -0.02 0.07 -0.19 -0.04 3.95 3.77 2bhlA1 SER 418 HB3 -0.01 -0.02 -0.02 -0.04 3.93 3.84 2bhlA1 GLU 419 H 0.01 0.27 0.17 -0.55 8.60 8.50 2bhlA1 GLU 419 HA 0.07 0.21 0.70 -0.75 4.29 4.51 2bhlA1 GLU 419 HB2 0.16 -0.01 -0.22 -0.04 2.09 1.97 2bhlA1 GLU 419 HB3 0.11 0.16 -0.05 -0.04 1.99 2.17 2bhlA1 GLU 419 HG2 -0.00 -0.05 -0.08 -0.04 2.34 2.17 2bhlA1 GLU 419 HG3 -0.05 -0.03 -0.23 -0.04 2.34 1.98 2bhlA1 LEU 420 H 0.10 0.51 0.30 -0.55 8.37 8.73 2bhlA1 LEU 420 HA 0.05 0.12 0.88 -0.75 4.35 4.64 2bhlA1 LEU 420 HB2 0.09 -0.00 0.24 -0.04 1.64 1.92 2bhlA1 LEU 420 HB3 0.08 0.05 0.05 -0.04 1.64 1.79 2bhlA1 LEU 420 HG 0.03 0.02 0.05 -0.04 1.64 1.71 2bhlA1 LEU 420 HD13 0.03 0.01 -0.23 -0.04 0.93 0.69 2bhlA1 LEU 420 HD23 0.04 0.01 0.01 -0.04 0.89 0.90 2bhlA1 ASP 421 H 0.05 0.18 0.17 -0.55 8.40 8.25 2bhlA1 ASP 421 HA 0.16 0.28 1.22 -0.75 4.63 5.54 2bhlA1 ASP 421 HB2 0.03 -0.03 0.01 -0.04 2.71 2.68 2bhlA1 ASP 421 HB3 -0.01 0.02 -0.17 -0.04 2.70 2.50 2bhlA1 LEU 422 H 0.16 0.43 0.10 -0.55 8.37 8.51 2bhlA1 LEU 422 HA 0.08 0.14 0.59 -0.75 4.35 4.40 2bhlA1 LEU 422 HB2 0.14 0.06 0.09 -0.04 1.64 1.89 2bhlA1 LEU 422 HB3 0.19 0.12 0.28 -0.04 1.64 2.19 2bhlA1 LEU 422 HG 0.44 -0.09 0.06 -0.04 1.64 2.02 2bhlA1 LEU 422 HD13 0.05 0.01 -0.09 -0.04 0.93 0.86 2bhlA1 LEU 422 HD23 0.25 0.01 -0.01 -0.04 0.89 1.10 2bhlA1 THR 423 H 0.06 0.15 -0.04 -0.55 8.28 7.90 2bhlA1 THR 423 HA 0.13 0.18 0.84 -0.75 4.39 4.80 2bhlA1 THR 423 HB 0.02 -0.05 0.12 -0.04 4.32 4.37 2bhlA1 THR 423 HG23 0.04 -0.02 -0.09 -0.04 1.22 1.11 2bhlA1 TYR 424 H 0.30 0.70 0.31 -0.55 8.29 9.05 2bhlA1 TYR 424 HA 0.17 0.03 0.38 -0.75 4.56 4.38 2bhlA1 TYR 424 HB2 0.08 0.26 0.18 -0.04 3.06 3.54 2bhlA1 TYR 424 HB3 0.14 0.03 -0.04 -0.04 2.98 3.06 2bhlA1 TYR 424 HD2 0.10 -0.03 -0.13 -0.04 7.15 7.05 2bhlA1 TYR 424 HE2 0.06 0.01 -0.08 -0.04 6.85 6.80 2bhlA1 GLY 425 H 0.13 0.10 -0.17 -0.55 8.43 7.94 2bhlA1 GLY 425 HA2 0.07 0.17 0.24 -0.51 4.01 3.98 2bhlA1 GLY 425 HA3 0.05 -0.01 0.21 -0.51 4.01 3.75 2bhlA1 ASN 426 H 0.02 0.06 -0.49 -0.55 8.53 7.57 2bhlA1 ASN 426 HA -0.02 0.16 0.68 -0.75 4.76 4.83 2bhlA1 ASN 426 HB2 -0.04 -0.02 0.11 -0.04 2.88 2.88 2bhlA1 ASN 426 HB3 -0.03 0.03 0.02 -0.04 2.79 2.77 2bhlA1 ASN 426 HD21 -0.02 0.00 -0.02 -0.04 7.03 6.95 2bhlA1 ASN 426 HD22 -0.02 0.02 0.01 -0.04 7.74 7.71 2bhlA1 ARG 427 H -0.12 0.33 0.07 -0.55 8.46 8.19 2bhlA1 ARG 427 HA -0.25 0.03 0.37 -0.75 4.34 3.74 2bhlA1 ARG 427 HB2 -0.29 0.15 0.11 -0.04 1.90 1.83 2bhlA1 ARG 427 HB3 -1.21 0.02 -0.12 -0.04 1.80 0.45 2bhlA1 ARG 427 HG2 -0.21 -0.03 0.05 -0.04 1.67 1.44 2bhlA1 ARG 427 HG3 -0.38 0.00 -0.01 -0.04 1.67 1.24 2bhlA1 ARG 427 HD2 -0.61 0.03 0.05 -0.04 3.22 2.65 2bhlA1 ARG 427 HD3 -0.23 -0.01 0.09 -0.04 3.22 3.02 2bhlA1 TYR 428 H -0.11 0.47 -0.32 -0.55 8.29 7.78 2bhlA1 TYR 428 HA -0.07 0.11 0.81 -0.75 4.56 4.65 2bhlA1 TYR 428 HB2 -0.16 0.07 0.09 -0.04 3.06 3.02 2bhlA1 TYR 428 HB3 -0.13 -0.08 0.09 -0.04 2.98 2.82 2bhlA1 TYR 428 HD2 -0.55 -0.01 -0.04 -0.04 7.15 6.51 2bhlA1 TYR 428 HE2 -0.42 0.00 -0.09 -0.04 6.85 6.31 2bhlA1 LYS 429 H -0.00 0.32 -0.34 -0.55 8.42 7.84 2bhlA1 LYS 429 HA 0.03 0.16 0.40 -0.75 4.32 4.14 2bhlA1 LYS 429 HB2 -0.01 0.10 0.15 -0.04 1.87 2.07 2bhlA1 LYS 429 HB3 0.00 -0.14 0.07 -0.04 1.79 1.68 2bhlA1 LYS 429 HG2 0.00 -0.02 0.07 -0.04 1.46 1.47 2bhlA1 LYS 429 HG3 -0.00 0.10 0.18 -0.04 1.46 1.70 2bhlA1 LYS 429 HD2 -0.01 -0.05 0.02 -0.04 1.69 1.61 2bhlA1 LYS 429 HD3 -0.00 -0.04 0.01 -0.04 1.68 1.61 2bhlA1 LYS 429 HE2 -0.01 -0.03 0.04 -0.04 2.99 2.95 2bhlA1 LYS 429 HE3 -0.01 0.07 0.07 -0.04 2.99 3.07 2bhlA1 ASN 430 H 0.01 0.03 -0.07 -0.55 8.53 7.96 2bhlA1 ASN 430 HA -0.00 0.01 0.39 -0.75 4.76 4.40 2bhlA1 ASN 430 HB2 0.00 0.02 -0.09 -0.04 2.88 2.78 2bhlA1 ASN 430 HB3 0.00 -0.01 0.06 -0.04 2.79 2.81 2bhlA1 ASN 430 HD21 0.06 0.08 0.03 -0.04 7.03 7.16 2bhlA1 ASN 430 HD22 0.02 0.02 -0.01 -0.04 7.74 7.73 2bhlA1 VAL 431 H 0.03 -0.05 -0.27 -0.55 8.24 7.41 2bhlA1 VAL 431 HA -0.02 -0.05 0.30 -0.75 4.13 3.61 2bhlA1 VAL 431 HB 0.00 0.14 -0.02 -0.04 2.12 2.20 2bhlA1 VAL 431 HG13 -0.09 -0.02 -0.17 -0.04 0.97 0.65 2bhlA1 VAL 431 HG23 -0.03 -0.03 0.01 -0.04 0.95 0.86 2bhlA1 LYS 432 H -0.04 0.11 0.12 -0.55 8.42 8.05 2bhlA1 LYS 432 HA -0.03 0.21 0.98 -0.75 4.32 4.72 2bhlA1 LYS 432 HB2 -0.05 0.07 0.01 -0.04 1.87 1.85 2bhlA1 LYS 432 HB3 -0.06 -0.04 0.13 -0.04 1.79 1.78 2bhlA1 LYS 432 HG2 -0.07 0.04 -0.11 -0.04 1.46 1.28 2bhlA1 LYS 432 HG3 -0.09 0.00 -0.02 -0.04 1.46 1.31 2bhlA1 LYS 432 HD2 -0.11 0.01 -0.06 -0.04 1.69 1.48 2bhlA1 LYS 432 HD3 -0.08 -0.04 -0.25 -0.04 1.68 1.26 2bhlA1 LYS 432 HE2 -0.13 0.09 -0.18 -0.04 2.99 2.73 2bhlA1 LYS 432 HE3 -0.19 0.01 -0.06 -0.04 2.99 2.72 2bhlA1 LEU 433 H -0.01 0.19 0.10 -0.55 8.37 8.11 2bhlA1 LEU 433 HA -0.02 0.14 0.62 -0.75 4.35 4.34 2bhlA1 LEU 433 HB2 0.01 -0.04 0.18 -0.04 1.64 1.74 2bhlA1 LEU 433 HB3 0.00 -0.01 0.08 -0.04 1.64 1.67 2bhlA1 LEU 433 HG 0.07 0.10 -0.04 -0.04 1.64 1.72 2bhlA1 LEU 433 HD13 0.15 -0.03 0.01 -0.04 0.93 1.02 2bhlA1 LEU 433 HD23 0.06 0.01 -0.14 -0.04 0.89 0.78 2bhlA1 PRO 434 HA -0.05 0.08 0.45 -0.51 4.44 4.42 2bhlA1 PRO 434 HB2 0.01 -0.03 0.01 -0.04 2.28 2.23 2bhlA1 PRO 434 HB3 -0.03 0.08 0.07 -0.04 2.02 2.10 2bhlA1 PRO 434 HG2 -0.02 0.04 -0.06 -0.04 2.03 1.95 2bhlA1 PRO 434 HG3 -0.02 0.07 0.04 -0.04 2.03 2.08 2bhlA1 PRO 434 HD2 -0.02 -0.00 0.17 -0.04 3.68 3.79 2bhlA1 PRO 434 HD3 -0.03 0.27 0.31 -0.04 3.65 4.15 2bhlA1 ASP 435 H 0.03 0.11 0.17 -0.55 8.40 8.17 2bhlA1 ASP 435 HA 0.06 0.14 0.49 -0.75 4.63 4.57 2bhlA1 ASP 435 HB2 0.16 0.17 0.16 -0.04 2.71 3.16 2bhlA1 ASP 435 HB3 0.24 -0.19 0.13 -0.04 2.70 2.84 2bhlA1 ALA 436 H 0.09 0.14 0.17 -0.55 8.40 8.25 2bhlA1 ALA 436 HA -0.05 0.47 0.43 -0.75 4.34 4.43 2bhlA1 ALA 436 HB3 -0.02 0.01 0.05 -0.04 1.41 1.41 2bhlA1 TYR 437 H 0.28 0.07 -0.13 -0.55 8.29 7.96 2bhlA1 TYR 437 HA 0.12 0.09 0.44 -0.75 4.56 4.46 2bhlA1 TYR 437 HB2 0.08 0.00 0.02 -0.04 3.06 3.12 2bhlA1 TYR 437 HB3 0.07 0.08 -0.10 -0.04 2.98 2.99 2bhlA1 TYR 437 HD2 0.12 0.01 -0.03 -0.04 7.15 7.21 2bhlA1 TYR 437 HE2 0.02 0.02 -0.06 -0.04 6.85 6.80 2bhlA1 GLU 438 H 0.21 -0.03 -0.31 -0.55 8.60 7.93 2bhlA1 GLU 438 HA 0.14 0.10 0.36 -0.75 4.29 4.12 2bhlA1 GLU 438 HB2 0.10 0.07 0.13 -0.04 2.09 2.35 2bhlA1 GLU 438 HB3 0.09 0.10 -0.01 -0.04 1.99 2.14 2bhlA1 GLU 438 HG2 0.35 0.11 0.05 -0.04 2.34 2.81 2bhlA1 GLU 438 HG3 0.34 -0.14 0.07 -0.04 2.34 2.58 2bhlA1 ARG 439 H 0.06 0.53 -0.22 -0.55 8.46 8.28 2bhlA1 ARG 439 HA 0.06 0.10 0.37 -0.75 4.34 4.12 2bhlA1 ARG 439 HB2 0.01 -0.01 0.01 -0.04 1.90 1.86 2bhlA1 ARG 439 HB3 0.00 -0.00 0.02 -0.04 1.80 1.78 2bhlA1 ARG 439 HG2 -0.04 0.09 0.15 -0.04 1.67 1.82 2bhlA1 ARG 439 HG3 -0.06 -0.03 -0.09 -0.04 1.67 1.45 2bhlA1 ARG 439 HD2 -0.16 -0.05 -0.08 -0.04 3.22 2.89 2bhlA1 ARG 439 HD3 -0.07 -0.06 -0.07 -0.04 3.22 2.98 2bhlA1 LEU 440 H 0.03 0.56 -0.11 -0.55 8.37 8.31 2bhlA1 LEU 440 HA 0.05 0.04 0.28 -0.75 4.35 3.97 2bhlA1 LEU 440 HB2 -0.03 -0.04 0.18 -0.04 1.64 1.72 2bhlA1 LEU 440 HB3 0.06 -0.05 -0.09 -0.04 1.64 1.52 2bhlA1 LEU 440 HG -0.16 0.17 0.11 -0.04 1.64 1.71 2bhlA1 LEU 440 HD13 -0.28 -0.06 -0.17 -0.04 0.93 0.38 2bhlA1 LEU 440 HD23 -0.40 0.02 -0.14 -0.04 0.89 0.33 2bhlA1 ILE 441 H 0.22 0.58 -0.13 -0.55 8.25 8.37 2bhlA1 ILE 441 HA 0.30 -0.03 0.33 -0.75 4.18 4.03 2bhlA1 ILE 441 HB 0.19 0.28 0.11 -0.04 1.89 2.42 2bhlA1 ILE 441 HG12 0.43 -0.03 -0.03 -0.04 1.49 1.82 2bhlA1 ILE 441 HG13 0.41 -0.09 0.01 -0.04 1.21 1.49 2bhlA1 ILE 441 HG23 0.20 0.00 -0.25 -0.04 0.93 0.83 2bhlA1 ILE 441 HD13 0.09 -0.02 -0.11 -0.04 0.88 0.80 2bhlA1 LEU 442 H 0.18 0.46 -0.29 -0.55 8.37 8.17 2bhlA1 LEU 442 HA 0.30 0.03 0.31 -0.75 4.35 4.24 2bhlA1 LEU 442 HB2 0.10 0.20 0.12 -0.04 1.64 2.01 2bhlA1 LEU 442 HB3 0.11 0.09 -0.03 -0.04 1.64 1.77 2bhlA1 LEU 442 HG 0.06 0.00 0.04 -0.04 1.64 1.69 2bhlA1 LEU 442 HD13 -0.02 -0.00 -0.09 -0.04 0.93 0.77 2bhlA1 LEU 442 HD23 0.04 -0.01 -0.07 -0.04 0.89 0.80 2bhlA1 ASP 443 H 0.24 0.41 -0.69 -0.55 8.40 7.81 2bhlA1 ASP 443 HA 0.18 0.03 0.57 -0.75 4.63 4.65 2bhlA1 ASP 443 HB2 0.40 0.35 0.20 -0.04 2.71 3.63 2bhlA1 ASP 443 HB3 0.46 0.03 -0.01 -0.04 2.70 3.14 2bhlA1 VAL 444 H 0.15 0.40 0.01 -0.55 8.24 8.25 2bhlA1 VAL 444 HA -0.59 -0.02 0.35 -0.75 4.13 3.11 2bhlA1 VAL 444 HB -0.34 0.14 0.01 -0.04 2.12 1.89 2bhlA1 VAL 444 HG13 -0.98 -0.01 -0.11 -0.04 0.97 -0.18 2bhlA1 VAL 444 HG23 -0.17 0.01 -0.01 -0.04 0.95 0.74 2bhlA1 PHE 445 H 0.18 0.24 -0.70 -0.55 8.34 7.50 2bhlA1 PHE 445 HA 0.20 0.08 0.42 -0.75 4.62 4.55 2bhlA1 PHE 445 HB2 0.05 0.17 0.07 -0.04 3.15 3.40 2bhlA1 PHE 445 HB3 0.05 0.03 -0.03 -0.04 3.06 3.08 2bhlA1 PHE 445 HD2 0.07 0.06 -0.13 -0.04 7.28 7.24 2bhlA1 PHE 445 HE2 0.00 -0.05 -0.16 -0.04 7.38 7.12 2bhlA1 PHE 445 HZ 0.02 -0.05 -0.14 -0.04 7.32 7.10 2bhlA1 CYS 446 H 0.16 0.22 -0.11 -0.55 8.50 8.22 2bhlA1 CYS 446 HA 0.16 0.11 0.54 -0.75 4.58 4.64 2bhlA1 CYS 446 HB2 0.10 -0.07 -0.10 -0.04 2.97 2.86 2bhlA1 CYS 446 HB3 0.09 -0.06 0.04 -0.04 2.97 3.00 2bhlA1 GLY 447 H -0.03 0.44 -0.27 -0.55 8.43 8.02 2bhlA1 GLY 447 HA2 -0.10 0.04 0.21 -0.51 4.01 3.65 2bhlA1 GLY 447 HA3 -0.09 0.08 0.49 -0.51 4.01 3.98 2bhlA1 SER 448 H 0.14 0.44 -0.03 -0.55 8.46 8.47 2bhlA1 SER 448 HA 0.04 0.07 0.86 -0.75 4.49 4.71 2bhlA1 SER 448 HB2 0.09 0.12 -0.11 -0.04 3.95 4.01 2bhlA1 SER 448 HB3 0.18 0.03 0.07 -0.04 3.93 4.18 2bhlA1 GLN 449 H -0.02 0.11 0.07 -0.55 8.47 8.08 2bhlA1 GLN 449 HA 0.17 0.27 0.75 -0.75 4.36 4.79 2bhlA1 GLN 449 HB2 -0.14 -0.11 -0.04 -0.04 2.15 1.81 2bhlA1 GLN 449 HB3 -0.26 0.08 0.05 -0.04 2.02 1.86 2bhlA1 GLN 449 HG2 -0.96 0.11 -0.24 -0.04 2.40 1.26 2bhlA1 GLN 449 HG3 -0.20 -0.03 -0.21 -0.04 2.39 1.90 2bhlA1 GLN 449 HE21 -0.33 0.52 0.08 -0.04 6.97 7.21 2bhlA1 GLN 449 HE22 -1.00 0.08 -0.08 -0.04 7.69 6.65 2bhlA1 MET 450 H -0.05 0.04 -0.05 -0.55 8.47 7.86 2bhlA1 MET 450 HA -0.15 0.00 0.42 -0.75 4.52 4.03 2bhlA1 MET 450 HB2 -0.34 -0.03 0.04 -0.04 2.15 1.79 2bhlA1 MET 450 HB3 -1.00 0.13 -0.12 -0.04 2.03 1.00 2bhlA1 MET 450 HG2 -0.16 -0.06 -0.02 -0.04 2.63 2.35 2bhlA1 MET 450 HG3 -0.12 -0.05 0.05 -0.04 2.56 2.39 2bhlA1 MET 450 HE3 -0.07 -0.00 -0.07 -0.04 2.10 1.91 2bhlA1 HIS 451 H -0.19 0.10 -0.42 -0.55 8.41 7.36 2bhlA1 HIS 451 HA -0.13 0.15 0.54 -0.75 4.63 4.44 2bhlA1 HIS 451 HB2 -0.35 -0.01 -0.03 -0.04 3.26 2.84 2bhlA1 HIS 451 HB3 -0.25 0.06 0.03 -0.04 3.20 3.00 2bhlA1 HIS 451 HD2 -0.01 0.01 -0.08 -0.04 6.97 6.84 2bhlA1 HIS 451 HE1 -0.02 0.02 -0.05 -0.04 7.75 7.66 2bhlA1 PHE 452 H 0.04 0.65 -0.52 -0.55 8.34 7.96 2bhlA1 PHE 452 HA -0.01 0.10 0.84 -0.75 4.62 4.80 2bhlA1 PHE 452 HB2 -0.20 0.02 0.08 -0.04 3.15 3.01 2bhlA1 PHE 452 HB3 -0.13 -0.02 0.05 -0.04 3.06 2.92 2bhlA1 PHE 452 HD2 0.04 -0.01 -0.23 -0.04 7.28 7.04 2bhlA1 PHE 452 HE2 0.17 0.00 -0.14 -0.04 7.38 7.37 2bhlA1 PHE 452 HZ 0.16 0.19 -0.11 -0.04 7.32 7.51 2bhlA1 VAL 453 H 0.03 0.22 0.01 -0.55 8.24 7.96 2bhlA1 VAL 453 HA -0.06 0.02 0.42 -0.75 4.13 3.76 2bhlA1 VAL 453 HB -0.21 -0.05 -0.03 -0.04 2.12 1.79 2bhlA1 VAL 453 HG13 -0.13 0.05 -0.13 -0.04 0.97 0.73 2bhlA1 VAL 453 HG23 -0.02 0.01 -0.15 -0.04 0.95 0.75 2bhlA1 ARG 454 H -0.07 0.07 0.20 -0.55 8.46 8.10 2bhlA1 ARG 454 HA -0.10 0.25 0.61 -0.75 4.34 4.34 2bhlA1 ARG 454 HB2 -0.07 0.15 0.16 -0.04 1.90 2.11 2bhlA1 ARG 454 HB3 -0.06 -0.24 0.05 -0.04 1.80 1.51 2bhlA1 ARG 454 HG2 -0.06 -0.18 0.15 -0.04 1.67 1.54 2bhlA1 ARG 454 HG3 -0.08 0.14 0.12 -0.04 1.67 1.81 2bhlA1 ARG 454 HD2 -0.06 0.02 0.02 -0.04 3.22 3.16 2bhlA1 ARG 454 HD3 -0.06 0.07 0.01 -0.04 3.22 3.19 2bhlA1 SER 455 H -0.06 0.18 0.16 -0.55 8.46 8.20 2bhlA1 SER 455 HA -0.05 0.14 0.35 -0.75 4.49 4.19 2bhlA1 SER 455 HB2 -0.03 -0.06 0.15 -0.04 3.95 3.98 2bhlA1 SER 455 HB3 -0.01 0.06 -0.06 -0.04 3.93 3.88 2bhlA1 ASP 456 H -0.03 0.10 0.00 -0.55 8.40 7.93 2bhlA1 ASP 456 HA 0.00 0.14 0.47 -0.75 4.63 4.48 2bhlA1 ASP 456 HB2 -0.02 0.09 -0.07 -0.04 2.71 2.67 2bhlA1 ASP 456 HB3 -0.01 0.09 0.08 -0.04 2.70 2.81 2bhlA1 GLU 457 H -0.04 0.05 -0.20 -0.55 8.60 7.87 2bhlA1 GLU 457 HA -0.04 0.10 0.34 -0.75 4.29 3.94 2bhlA1 GLU 457 HB2 -0.06 -0.08 0.04 -0.04 2.09 1.95 2bhlA1 GLU 457 HB3 -0.07 0.10 -0.17 -0.04 1.99 1.81 2bhlA1 GLU 457 HG2 -0.05 0.07 -0.06 -0.04 2.34 2.26 2bhlA1 GLU 457 HG3 -0.05 -0.00 0.06 -0.04 2.34 2.31 2bhlA1 LEU 458 H -0.06 0.47 -0.29 -0.55 8.37 7.94 2bhlA1 LEU 458 HA -0.11 0.04 0.36 -0.75 4.35 3.89 2bhlA1 LEU 458 HB2 -0.12 0.06 0.01 -0.04 1.64 1.55 2bhlA1 LEU 458 HB3 -0.01 0.12 0.06 -0.04 1.64 1.77 2bhlA1 LEU 458 HG 0.29 -0.02 -0.14 -0.04 1.64 1.72 2bhlA1 LEU 458 HD13 0.00 -0.01 -0.03 -0.04 0.93 0.85 2bhlA1 LEU 458 HD23 -0.09 -0.00 -0.07 -0.04 0.89 0.69 2bhlA1 ARG 459 H 0.03 0.34 -0.42 -0.55 8.46 7.86 2bhlA1 ARG 459 HA 0.20 -0.03 0.43 -0.75 4.34 4.18 2bhlA1 ARG 459 HB2 0.07 -0.03 0.09 -0.04 1.90 1.98 2bhlA1 ARG 459 HB3 0.03 0.08 0.32 -0.04 1.80 2.20 2bhlA1 ARG 459 HG2 0.03 -0.01 -0.03 -0.04 1.67 1.62 2bhlA1 ARG 459 HG3 0.06 -0.04 -0.36 -0.04 1.67 1.30 2bhlA1 ARG 459 HD2 0.06 -0.05 0.01 -0.04 3.22 3.20 2bhlA1 ARG 459 HD3 0.03 0.00 -0.02 -0.04 3.22 3.19 2bhlA1 GLU 460 H 0.01 0.77 0.06 -0.55 8.60 8.89 2bhlA1 GLU 460 HA 0.02 0.02 0.41 -0.75 4.29 3.98 2bhlA1 GLU 460 HB2 -0.03 0.08 0.14 -0.04 2.09 2.24 2bhlA1 GLU 460 HB3 -0.03 0.05 -0.09 -0.04 1.99 1.88 2bhlA1 GLU 460 HG2 -0.01 0.02 -0.07 -0.04 2.34 2.24 2bhlA1 GLU 460 HG3 -0.02 0.04 -0.07 -0.04 2.34 2.25 2bhlA1 ALA 461 H -0.04 0.52 -0.28 -0.55 8.40 8.05 2bhlA1 ALA 461 HA -0.03 0.08 0.42 -0.75 4.34 4.05 2bhlA1 ALA 461 HB3 -0.23 0.04 0.07 -0.04 1.41 1.25 2bhlA1 TRP 462 H 0.16 0.38 -0.36 -0.55 7.97 7.61 2bhlA1 TRP 462 HA 0.08 0.07 0.72 -0.75 4.62 4.74 2bhlA1 TRP 462 HB2 0.02 0.20 0.17 -0.04 3.23 3.58 2bhlA1 TRP 462 HB3 0.01 -0.26 0.01 -0.04 3.23 2.96 2bhlA1 TRP 462 HD1 0.04 0.06 -0.10 -0.04 7.22 7.17 2bhlA1 TRP 462 HE1 0.12 0.14 -0.05 -0.04 10.20 10.37 2bhlA1 TRP 462 HE3 0.03 -0.14 0.04 -0.04 7.59 7.48 2bhlA1 TRP 462 HZ2 0.09 0.05 -0.21 -0.04 7.44 7.33 2bhlA1 TRP 462 HZ3 -0.01 -0.05 -0.00 -0.04 7.13 7.03 2bhlA1 TRP 462 HH2 0.03 -0.02 -0.02 -0.04 7.19 7.14 2bhlA1 ARG 463 H 0.16 0.53 -0.00 -0.55 8.46 8.60 2bhlA1 ARG 463 HA 0.07 -0.07 0.46 -0.75 4.34 4.04 2bhlA1 ARG 463 HB2 0.05 -0.07 0.14 -0.04 1.90 1.98 2bhlA1 ARG 463 HB3 0.04 0.17 0.23 -0.04 1.80 2.20 2bhlA1 ARG 463 HG2 -0.01 0.09 -0.29 -0.04 1.67 1.41 2bhlA1 ARG 463 HG3 0.01 -0.10 0.06 -0.04 1.67 1.60 2bhlA1 ARG 463 HD2 0.00 -0.04 0.01 -0.04 3.22 3.15 2bhlA1 ARG 463 HD3 0.01 -0.06 0.01 -0.04 3.22 3.14 2bhlA1 ILE 464 H 0.03 0.27 -0.45 -0.55 8.25 7.54 2bhlA1 ILE 464 HA -0.12 0.09 0.45 -0.75 4.18 3.85 2bhlA1 ILE 464 HB -0.16 0.03 0.08 -0.04 1.89 1.81 2bhlA1 ILE 464 HG12 -0.14 0.21 -0.10 -0.04 1.49 1.42 2bhlA1 ILE 464 HG13 -0.07 -0.07 -0.01 -0.04 1.21 1.02 2bhlA1 ILE 464 HG23 -0.62 -0.01 -0.12 -0.04 0.93 0.14 2bhlA1 ILE 464 HD13 -0.09 0.03 -0.02 -0.04 0.88 0.76 2bhlA1 PHE 465 H 0.17 0.27 -0.11 -0.55 8.34 8.12 2bhlA1 PHE 465 HA -0.01 0.13 0.74 -0.75 4.62 4.72 2bhlA1 PHE 465 HB2 -0.01 0.14 0.14 -0.04 3.15 3.38 2bhlA1 PHE 465 HB3 0.03 -0.11 0.05 -0.04 3.06 2.99 2bhlA1 PHE 465 HD2 -0.12 0.16 0.06 -0.04 7.28 7.34 2bhlA1 PHE 465 HE2 -0.13 0.03 -0.07 -0.04 7.38 7.17 2bhlA1 PHE 465 HZ -0.13 0.03 -0.16 -0.04 7.32 7.02 2bhlA1 THR 466 H 0.16 0.63 -0.05 -0.55 8.28 8.47 2bhlA1 THR 466 HA 0.01 -0.01 0.48 -0.75 4.39 4.12 2bhlA1 THR 466 HB -0.05 0.18 0.18 -0.04 4.32 4.59 2bhlA1 THR 466 HG23 -0.58 -0.03 -0.06 -0.04 1.22 0.50 2bhlA1 PRO 467 HA -0.04 0.01 0.37 -0.51 4.44 4.27 2bhlA1 PRO 467 HB2 -0.02 0.14 0.02 -0.04 2.28 2.37 2bhlA1 PRO 467 HB3 -0.01 0.02 0.11 -0.04 2.02 2.10 2bhlA1 PRO 467 HG2 -0.03 0.17 0.12 -0.04 2.03 2.25 2bhlA1 PRO 467 HG3 -0.02 -0.02 0.12 -0.04 2.03 2.07 2bhlA1 PRO 467 HD2 -0.02 0.18 -0.27 -0.04 3.68 3.53 2bhlA1 PRO 467 HD3 -0.04 0.07 0.16 -0.04 3.65 3.80 2bhlA1 LEU 468 H 0.01 0.22 -0.62 -0.55 8.37 7.43 2bhlA1 LEU 468 HA 0.04 0.05 0.54 -0.75 4.35 4.23 2bhlA1 LEU 468 HB2 0.01 0.06 -0.09 -0.04 1.64 1.58 2bhlA1 LEU 468 HB3 0.07 0.13 0.07 -0.04 1.64 1.88 2bhlA1 LEU 468 HG 0.07 -0.02 -0.25 -0.04 1.64 1.40 2bhlA1 LEU 468 HD13 0.03 -0.01 -0.11 -0.04 0.93 0.80 2bhlA1 LEU 468 HD23 0.11 0.00 -0.10 -0.04 0.89 0.86 2bhlA1 LEU 469 H 0.08 0.59 0.18 -0.55 8.37 8.67 2bhlA1 LEU 469 HA 0.09 0.00 0.49 -0.75 4.35 4.17 2bhlA1 LEU 469 HB2 0.06 0.03 0.28 -0.04 1.64 1.97 2bhlA1 LEU 469 HB3 0.11 -0.01 0.09 -0.04 1.64 1.80 2bhlA1 LEU 469 HG 0.19 0.14 0.12 -0.04 1.64 2.04 2bhlA1 LEU 469 HD13 0.35 -0.02 -0.06 -0.04 0.93 1.17 2bhlA1 LEU 469 HD23 0.07 -0.03 0.06 -0.04 0.89 0.95 2bhlA1 HIS 470 H 0.06 0.68 -0.13 -0.55 8.41 8.47 2bhlA1 HIS 470 HA -0.00 0.02 0.41 -0.75 4.63 4.31 2bhlA1 HIS 470 HB2 0.02 0.17 0.04 -0.04 3.26 3.45 2bhlA1 HIS 470 HB3 0.00 -0.01 -0.05 -0.04 3.20 3.09 2bhlA1 HIS 470 HD2 -0.01 0.03 -0.04 -0.04 6.97 6.91 2bhlA1 HIS 470 HE1 -0.08 -0.09 -0.02 -0.04 7.75 7.53 2bhlA1 GLN 471 H 0.11 0.34 -0.18 -0.55 8.47 8.19 2bhlA1 GLN 471 HA 0.05 0.00 0.53 -0.75 4.36 4.19 2bhlA1 GLN 471 HB2 0.05 0.13 0.25 -0.04 2.15 2.54 2bhlA1 GLN 471 HB3 0.05 0.12 0.19 -0.04 2.02 2.33 2bhlA1 GLN 471 HG2 0.03 -0.01 -0.00 -0.04 2.40 2.38 2bhlA1 GLN 471 HG3 0.03 -0.02 0.13 -0.04 2.39 2.49 2bhlA1 GLN 471 HE21 0.02 -0.06 0.05 -0.04 6.97 6.94 2bhlA1 GLN 471 HE22 0.03 0.03 0.06 -0.04 7.69 7.77 2bhlA1 ILE 472 H 0.07 0.46 -0.31 -0.55 8.25 7.92 2bhlA1 ILE 472 HA 0.04 0.04 0.52 -0.75 4.18 4.02 2bhlA1 ILE 472 HB 0.05 0.16 0.17 -0.04 1.89 2.23 2bhlA1 ILE 472 HG12 0.05 -0.07 -0.00 -0.04 1.49 1.42 2bhlA1 ILE 472 HG13 0.06 0.44 0.11 -0.04 1.21 1.78 2bhlA1 ILE 472 HG23 0.03 -0.02 0.02 -0.04 0.93 0.92 2bhlA1 ILE 472 HD13 0.05 -0.04 -0.01 -0.04 0.88 0.83 2bhlA1 GLU 473 H 0.05 0.28 -0.12 -0.55 8.60 8.26 2bhlA1 GLU 473 HA 0.01 0.10 0.55 -0.75 4.29 4.19 2bhlA1 GLU 473 HB2 0.00 -0.01 0.11 -0.04 2.09 2.15 2bhlA1 GLU 473 HB3 -0.01 0.02 0.16 -0.04 1.99 2.11 2bhlA1 GLU 473 HG2 -0.06 -0.08 0.01 -0.04 2.34 2.17 2bhlA1 GLU 473 HG3 -0.03 0.04 -0.01 -0.04 2.34 2.30 2bhlA1 LEU 474 H 0.02 0.35 -0.16 -0.55 8.37 8.03 2bhlA1 LEU 474 HA -0.01 0.07 0.50 -0.75 4.35 4.15 2bhlA1 LEU 474 HB2 -0.01 0.01 0.11 -0.04 1.64 1.70 2bhlA1 LEU 474 HB3 0.01 -0.06 0.23 -0.04 1.64 1.78 2bhlA1 LEU 474 HG -0.00 0.04 -0.17 -0.04 1.64 1.47 2bhlA1 LEU 474 HD13 -0.02 -0.01 0.01 -0.04 0.93 0.86 2bhlA1 LEU 474 HD23 0.00 -0.02 -0.01 -0.04 0.89 0.82 2bhlA1 GLU 475 H 0.02 0.49 0.18 -0.55 8.60 8.74 2bhlA1 GLU 475 HA 0.01 0.02 0.46 -0.75 4.29 4.03 2bhlA1 GLU 475 HB2 0.02 0.04 0.08 -0.04 2.09 2.20 2bhlA1 GLU 475 HB3 0.02 -0.06 0.08 -0.04 1.99 1.98 2bhlA1 GLU 475 HG2 0.02 -0.09 0.10 -0.04 2.34 2.32 2bhlA1 GLU 475 HG3 0.03 0.09 0.22 -0.04 2.34 2.64 2bhlA1 LYS 476 H 0.02 0.14 -0.30 -0.55 8.42 7.72 2bhlA1 LYS 476 HA 0.02 0.25 0.36 -0.75 4.32 4.20 2bhlA1 LYS 476 HB2 0.01 0.09 -0.33 -0.04 1.87 1.60 2bhlA1 LYS 476 HB3 0.02 -0.09 0.19 -0.04 1.79 1.87 2bhlA1 LYS 476 HG2 0.01 -0.10 0.04 -0.04 1.46 1.37 2bhlA1 LYS 476 HG3 0.01 0.16 -0.20 -0.04 1.46 1.39 2bhlA1 LYS 476 HD2 0.01 -0.03 -0.04 -0.04 1.69 1.59 2bhlA1 LYS 476 HD3 0.01 -0.12 0.01 -0.04 1.68 1.54 2bhlA1 LYS 476 HE2 -0.00 0.59 0.15 -0.04 2.99 3.68 2bhlA1 LYS 476 HE3 -0.01 -0.13 0.05 -0.04 2.99 2.86 2bhlA1 PRO 477 HA 0.03 0.04 0.37 -0.51 4.44 4.36 2bhlA1 PRO 477 HB2 0.04 0.02 -0.10 -0.04 2.28 2.20 2bhlA1 PRO 477 HB3 0.03 -0.01 0.03 -0.04 2.02 2.03 2bhlA1 PRO 477 HG2 0.04 0.01 -0.02 -0.04 2.03 2.01 2bhlA1 PRO 477 HG3 0.03 -0.02 0.00 -0.04 2.03 2.00 2bhlA1 PRO 477 HD2 0.03 0.18 0.19 -0.04 3.68 4.04 2bhlA1 PRO 477 HD3 0.03 0.03 0.13 -0.04 3.65 3.80 2bhlA1 LYS 478 H 0.03 0.07 0.14 -0.55 8.42 8.11 2bhlA1 LYS 478 HA 0.04 0.25 0.82 -0.75 4.32 4.67 2bhlA1 LYS 478 HB2 0.03 -0.07 0.13 -0.04 1.87 1.92 2bhlA1 LYS 478 HB3 0.03 0.04 0.05 -0.04 1.79 1.87 2bhlA1 LYS 478 HG2 0.03 0.12 -0.00 -0.04 1.46 1.56 2bhlA1 LYS 478 HG3 0.02 -0.07 0.10 -0.04 1.46 1.47 2bhlA1 LYS 478 HD2 0.02 -0.07 0.03 -0.04 1.69 1.63 2bhlA1 LYS 478 HD3 0.02 -0.00 0.02 -0.04 1.68 1.68 2bhlA1 LYS 478 HE2 0.02 0.14 -0.00 -0.04 2.99 3.11 2bhlA1 LYS 478 HE3 0.02 -0.06 0.02 -0.04 2.99 2.93 2bhlA1 PRO 479 HA 0.07 0.02 0.23 -0.51 4.44 4.25 2bhlA1 PRO 479 HB2 0.07 -0.05 -0.32 -0.04 2.28 1.94 2bhlA1 PRO 479 HB3 0.10 -0.12 -0.48 -0.04 2.02 1.47 2bhlA1 PRO 479 HG2 0.05 0.00 -0.47 -0.04 2.03 1.57 2bhlA1 PRO 479 HG3 0.06 0.03 -0.12 -0.04 2.03 1.95 2bhlA1 PRO 479 HD2 0.05 0.03 0.17 -0.04 3.68 3.89 2bhlA1 PRO 479 HD3 0.05 0.56 0.38 -0.04 3.65 4.59 2bhlA1 ILE 480 H 0.09 0.59 0.37 -0.55 8.25 8.75 2bhlA1 ILE 480 HA 0.06 0.13 0.56 -0.75 4.18 4.17 2bhlA1 ILE 480 HB 0.07 -0.02 0.23 -0.04 1.89 2.12 2bhlA1 ILE 480 HG12 0.04 -0.10 0.09 -0.04 1.49 1.48 2bhlA1 ILE 480 HG13 0.05 0.10 0.11 -0.04 1.21 1.43 2bhlA1 ILE 480 HG23 0.04 -0.01 -0.04 -0.04 0.93 0.89 2bhlA1 ILE 480 HD13 0.06 0.01 0.14 -0.04 0.88 1.05 2bhlA1 PRO 481 HA 0.02 0.51 0.69 -0.51 4.44 5.15 2bhlA1 PRO 481 HB2 0.01 -0.06 -0.01 -0.04 2.28 2.17 2bhlA1 PRO 481 HB3 0.01 0.06 0.11 -0.04 2.02 2.16 2bhlA1 PRO 481 HG2 0.03 -0.04 0.07 -0.04 2.03 2.05 2bhlA1 PRO 481 HG3 0.02 0.05 0.10 -0.04 2.03 2.16 2bhlA1 PRO 481 HD2 0.04 0.00 0.25 -0.04 3.68 3.93 2bhlA1 PRO 481 HD3 0.04 0.25 0.30 -0.04 3.65 4.20 2bhlA1 TYR 482 H -0.20 0.33 0.22 -0.55 8.29 8.09 2bhlA1 TYR 482 HA -0.02 0.11 0.58 -0.75 4.56 4.47 2bhlA1 TYR 482 HB2 -0.11 -0.05 -0.10 -0.04 3.06 2.75 2bhlA1 TYR 482 HB3 -0.13 0.06 -0.34 -0.04 2.98 2.53 2bhlA1 TYR 482 HD2 -0.08 0.15 -0.29 -0.04 7.15 6.89 2bhlA1 TYR 482 HE2 -0.01 0.07 -0.45 -0.04 6.85 6.41 2bhlA1 ILE 483 H 0.09 0.11 0.06 -0.55 8.25 7.96 2bhlA1 ILE 483 HA 0.05 0.10 0.43 -0.75 4.18 4.00 2bhlA1 ILE 483 HB 0.07 -0.06 0.01 -0.04 1.89 1.87 2bhlA1 ILE 483 HG12 0.04 -0.05 0.01 -0.04 1.49 1.45 2bhlA1 ILE 483 HG13 0.04 0.02 -0.01 -0.04 1.21 1.23 2bhlA1 ILE 483 HG23 0.08 0.08 -0.20 -0.04 0.93 0.85 2bhlA1 ILE 483 HD13 0.03 0.04 -0.10 -0.04 0.88 0.81 2bhlA1 TYR 484 H 0.18 0.27 0.12 -0.55 8.29 8.31 2bhlA1 TYR 484 HA -0.06 0.19 0.57 -0.75 4.56 4.50 2bhlA1 TYR 484 HB2 0.04 0.20 0.23 -0.04 3.06 3.49 2bhlA1 TYR 484 HB3 0.01 -0.14 0.20 -0.04 2.98 3.01 2bhlA1 TYR 484 HD2 -0.02 0.08 -0.30 -0.04 7.15 6.88 2bhlA1 TYR 484 HE2 -0.04 0.03 -0.03 -0.04 6.85 6.77 2bhlA1 GLY 485 H -0.12 0.86 0.26 -0.55 8.43 8.88 2bhlA1 GLY 485 HA2 0.06 0.33 0.13 -0.51 4.01 4.02 2bhlA1 GLY 485 HA3 0.14 0.03 0.66 -0.51 4.01 4.33 2bhlA1 SER 486 H 0.08 0.44 -0.39 -0.55 8.46 8.04 2bhlA1 SER 486 HA 0.01 0.08 0.31 -0.75 4.49 4.14 2bhlA1 SER 486 HB2 0.02 -0.12 0.16 -0.04 3.95 3.96 2bhlA1 SER 486 HB3 0.06 -0.02 0.02 -0.04 3.93 3.96 2bhlA1 ARG 487 H -0.06 0.14 0.11 -0.55 8.46 8.10 2bhlA1 ARG 487 HA -0.10 0.10 0.71 -0.75 4.34 4.29 2bhlA1 ARG 487 HB2 -0.09 0.01 -0.00 -0.04 1.90 1.78 2bhlA1 ARG 487 HB3 -0.11 0.02 -0.03 -0.04 1.80 1.64 2bhlA1 ARG 487 HG2 -0.07 -0.00 -0.05 -0.04 1.67 1.50 2bhlA1 ARG 487 HG3 -0.05 -0.00 -0.11 -0.04 1.67 1.46 2bhlA1 ARG 487 HD2 -0.06 0.02 -0.07 -0.04 3.22 3.06 2bhlA1 ARG 487 HD3 -0.06 -0.00 -0.06 -0.04 3.22 3.06 2bhlA1 GLY 488 H -0.18 -0.02 -0.14 -0.55 8.43 7.54 2bhlA1 GLY 488 HA2 -1.20 0.02 0.11 -0.51 4.01 2.43 2bhlA1 GLY 488 HA3 -1.23 0.25 0.68 -0.51 4.01 3.20 2bhlA1 PRO 489 HA -0.09 0.08 0.42 -0.51 4.44 4.34 2bhlA1 PRO 489 HB2 -0.05 -0.13 -0.06 -0.04 2.28 1.99 2bhlA1 PRO 489 HB3 -0.04 0.14 0.03 -0.04 2.02 2.12 2bhlA1 PRO 489 HG2 -0.26 0.02 -0.13 -0.04 2.03 1.62 2bhlA1 PRO 489 HG3 -0.09 0.18 -0.13 -0.04 2.03 1.95 2bhlA1 PRO 489 HD2 -1.77 0.13 0.06 -0.04 3.68 2.06 2bhlA1 PRO 489 HD3 -0.48 0.18 -0.10 -0.04 3.65 3.20 2bhlA1 THR 490 H -0.04 0.21 0.20 -0.55 8.28 8.10 2bhlA1 THR 490 HA -0.04 0.12 0.42 -0.75 4.39 4.14 2bhlA1 THR 490 HB 0.01 0.04 0.05 -0.04 4.32 4.37 2bhlA1 THR 490 HG23 -0.01 0.03 0.08 -0.04 1.22 1.27 2bhlA1 GLU 491 H -0.00 0.11 -0.23 -0.55 8.60 7.93 2bhlA1 GLU 491 HA 0.02 0.07 0.30 -0.75 4.29 3.93 2bhlA1 GLU 491 HB2 0.03 0.01 -0.03 -0.04 2.09 2.06 2bhlA1 GLU 491 HB3 0.04 0.09 0.04 -0.04 1.99 2.11 2bhlA1 GLU 491 HG2 0.03 0.09 0.04 -0.04 2.34 2.45 2bhlA1 GLU 491 HG3 0.02 0.00 0.03 -0.04 2.34 2.35 2bhlA1 ALA 492 H 0.01 0.39 -0.77 -0.55 8.40 7.48 2bhlA1 ALA 492 HA 0.08 0.07 0.40 -0.75 4.34 4.14 2bhlA1 ALA 492 HB3 0.17 0.04 -0.04 -0.04 1.41 1.53 2bhlA1 ASP 493 H 0.00 0.25 -0.07 -0.55 8.40 8.03 2bhlA1 ASP 493 HA 0.01 0.04 0.32 -0.75 4.63 4.25 2bhlA1 ASP 493 HB2 0.02 0.08 0.11 -0.04 2.71 2.89 2bhlA1 ASP 493 HB3 0.04 -0.01 -0.01 -0.04 2.70 2.69 2bhlA1 GLU 494 H 0.03 0.45 -0.22 -0.55 8.60 8.32 2bhlA1 GLU 494 HA 0.05 0.04 0.41 -0.75 4.29 4.04 2bhlA1 GLU 494 HB2 0.03 0.08 0.09 -0.04 2.09 2.24 2bhlA1 GLU 494 HB3 0.04 0.01 -0.01 -0.04 1.99 1.99 2bhlA1 GLU 494 HG2 0.04 0.01 -0.04 -0.04 2.34 2.31 2bhlA1 GLU 494 HG3 0.03 0.05 -0.12 -0.04 2.34 2.27 2bhlA1 LEU 495 H 0.04 0.47 -0.27 -0.55 8.37 8.06 2bhlA1 LEU 495 HA 0.04 0.02 0.31 -0.75 4.35 3.96 2bhlA1 LEU 495 HB2 0.04 0.01 0.04 -0.04 1.64 1.69 2bhlA1 LEU 495 HB3 0.03 0.11 0.12 -0.04 1.64 1.86 2bhlA1 LEU 495 HG 0.01 0.01 -0.33 -0.04 1.64 1.29 2bhlA1 LEU 495 HD13 0.03 -0.00 -0.05 -0.04 0.93 0.87 2bhlA1 LEU 495 HD23 0.01 -0.02 -0.27 -0.04 0.89 0.57 2bhlA1 MET 496 H 0.03 0.41 -0.36 -0.55 8.47 8.00 2bhlA1 MET 496 HA 0.01 0.01 0.29 -0.75 4.52 4.08 2bhlA1 MET 496 HB2 0.09 0.16 0.08 -0.04 2.15 2.44 2bhlA1 MET 496 HB3 -0.01 -0.07 -0.07 -0.04 2.03 1.85 2bhlA1 MET 496 HG2 -0.10 -0.06 -0.08 -0.04 2.63 2.35 2bhlA1 MET 496 HG3 -0.04 0.26 -0.08 -0.04 2.56 2.66 2bhlA1 MET 496 HE3 -0.78 -0.00 -0.11 -0.04 2.10 1.17 2bhlA1 LYS 497 H 0.11 0.44 -0.16 -0.55 8.42 8.25 2bhlA1 LYS 497 HA 0.13 0.29 0.42 -0.75 4.32 4.39 2bhlA1 LYS 497 HB2 0.08 0.08 0.22 -0.04 1.87 2.21 2bhlA1 LYS 497 HB3 0.06 -0.02 0.01 -0.04 1.79 1.80 2bhlA1 LYS 497 HG2 0.05 0.02 0.01 -0.04 1.46 1.50 2bhlA1 LYS 497 HG3 0.10 -0.01 0.03 -0.04 1.46 1.54 2bhlA1 LYS 497 HD2 0.08 -0.05 -0.04 -0.04 1.69 1.63 2bhlA1 LYS 497 HD3 0.06 -0.03 -0.00 -0.04 1.68 1.66 2bhlA1 LYS 497 HE2 0.03 -0.01 -0.03 -0.04 2.99 2.94 2bhlA1 LYS 497 HE3 0.03 0.03 -0.02 -0.04 2.99 2.99 2bhlA1 ARG 498 H 0.06 0.50 -0.02 -0.55 8.46 8.45 2bhlA1 ARG 498 HA 0.05 -0.03 0.34 -0.75 4.34 3.94 2bhlA1 ARG 498 HB2 0.04 -0.06 0.10 -0.04 1.90 1.94 2bhlA1 ARG 498 HB3 0.05 0.16 0.08 -0.04 1.80 2.06 2bhlA1 ARG 498 HG2 0.05 0.04 -0.11 -0.04 1.67 1.61 2bhlA1 ARG 498 HG3 0.04 -0.08 0.04 -0.04 1.67 1.63 2bhlA1 ARG 498 HD2 0.04 -0.07 -0.01 -0.04 3.22 3.13 2bhlA1 ARG 498 HD3 0.04 -0.00 -0.01 -0.04 3.22 3.21 2bhlA1 VAL 499 H 0.07 0.26 -0.61 -0.55 8.24 7.42 2bhlA1 VAL 499 HA 0.10 0.12 0.76 -0.75 4.13 4.35 2bhlA1 VAL 499 HB 0.10 -0.02 0.13 -0.04 2.12 2.29 2bhlA1 VAL 499 HG13 0.09 -0.00 -0.03 -0.04 0.97 0.99 2bhlA1 VAL 499 HG23 0.04 -0.00 -0.00 -0.04 0.95 0.94 2bhlA1 GLY 500 H 0.09 0.59 -0.02 -0.55 8.43 8.55 2bhlA1 GLY 500 HA2 0.06 -0.05 0.26 -0.51 4.01 3.77 2bhlA1 GLY 500 HA3 0.08 0.22 0.86 -0.51 4.01 4.66 2bhlA1 PHE 501 H 0.19 0.38 0.11 -0.55 8.34 8.46 2bhlA1 PHE 501 HA -0.02 -0.01 0.31 -0.75 4.62 4.15 2bhlA1 PHE 501 HB2 -0.03 0.01 -0.01 -0.04 3.15 3.08 2bhlA1 PHE 501 HB3 0.00 -0.09 -0.33 -0.04 3.06 2.60 2bhlA1 PHE 501 HD2 -0.02 -0.00 -0.20 -0.04 7.28 7.01 2bhlA1 PHE 501 HE2 -0.05 -0.05 -0.15 -0.04 7.38 7.09 2bhlA1 PHE 501 HZ -0.01 -0.06 -0.12 -0.04 7.32 7.09 2bhlA1 GLN 502 H -0.52 0.16 0.16 -0.55 8.47 7.72 2bhlA1 GLN 502 HA -0.19 0.13 0.81 -0.75 4.36 4.36 2bhlA1 GLN 502 HB2 -0.12 0.15 0.07 -0.04 2.15 2.21 2bhlA1 GLN 502 HB3 -0.20 -0.07 0.12 -0.04 2.02 1.83 2bhlA1 GLN 502 HG2 -0.10 -0.07 -0.08 -0.04 2.40 2.12 2bhlA1 GLN 502 HG3 -0.11 0.01 0.01 -0.04 2.39 2.26 2bhlA1 GLN 502 HE21 -0.02 -0.03 -0.01 -0.04 6.97 6.87 2bhlA1 GLN 502 HE22 -0.04 -0.02 -0.02 -0.04 7.69 7.57 2bhlA1 TYR 503 H -0.11 0.23 0.05 -0.55 8.29 7.91 2bhlA1 TYR 503 HA -0.32 0.19 0.99 -0.75 4.56 4.67 2bhlA1 TYR 503 HB2 0.05 0.03 -0.16 -0.04 3.06 2.94 2bhlA1 TYR 503 HB3 -0.02 0.04 -0.06 -0.04 2.98 2.90 2bhlA1 TYR 503 HD2 0.03 0.05 -0.06 -0.04 7.15 7.13 2bhlA1 TYR 503 HE2 0.03 0.08 -0.05 -0.04 6.85 6.86 2bhlA1 GLU 504 H -0.13 0.13 0.06 -0.55 8.60 8.11 2bhlA1 GLU 504 HA -0.26 0.11 0.32 -0.75 4.29 3.71 2bhlA1 GLY 505 H -1.31 0.01 -0.11 -0.55 8.43 6.47 2bhlA1 GLY 505 HA2 -0.45 0.08 0.04 -0.51 4.01 3.18 2bhlA1 GLY 505 HA3 -0.26 0.19 0.38 -0.51 4.01 3.81