============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 11 0.900 43.832 31.184 55.379 -99.200 -91.000 HIS 19 0.900 41.526 25.428 43.575 -99.200 -91.000 TRP 23 1.040 39.402 16.969 42.118 -99.200 -91.000 TRP6 23 1.020 38.429 15.944 40.222 -99.200 -91.000 HIS 31 0.900 36.064 12.069 37.592 -99.200 -91.000 TYR 37 0.840 46.005 8.102 50.638 -99.200 -91.000 TYR 54 0.840 40.604 9.659 46.584 -99.200 -91.000 HIS 56 0.900 37.191 0.259 51.307 -99.200 -91.000 TYR 62 0.840 44.268 2.448 40.806 -99.200 -91.000 PHE 71 1.000 41.285 -21.319 35.373 -99.200 -91.000 TYR 90 0.840 46.792 0.378 44.783 -99.200 -91.000 PHE 100 1.000 57.208 -2.158 52.728 -99.200 -91.000 HIS 104 0.900 48.624 -16.047 47.705 -99.200 -91.000 TRP 115 1.040 55.433 -10.579 32.620 -99.200 -91.000 TRP6 115 1.020 54.979 -11.094 30.347 -99.200 -91.000 PHE 116 1.000 54.378 -0.062 31.802 -99.200 -91.000 HIS 126 0.900 69.254 -2.336 19.817 -99.200 -91.000 HIS 128 0.900 70.900 4.644 18.728 -99.200 -91.000 HIS 131 0.900 60.398 6.439 19.287 -99.200 -91.000 HIS 133 0.900 54.957 -1.005 23.108 -99.200 -91.000 TYR 136 0.840 62.930 6.327 27.251 -99.200 -91.000 TYR 137 0.840 56.171 11.291 34.643 -99.200 -91.000 TYR 139 0.840 61.848 1.707 31.239 -99.200 -91.000 HIS 149 0.900 54.761 -0.943 47.562 -99.200 -91.000 HIS 154 0.900 68.446 -8.811 34.231 -99.200 -91.000 TYR 163 0.840 71.948 4.929 25.059 -99.200 -91.000 PHE 168 1.000 66.644 8.892 23.811 -99.200 -91.000 HIS 169 0.900 65.293 13.352 28.428 -99.200 -91.000 HIS 172 0.900 55.856 20.676 28.338 -99.200 -91.000 HIS 173 0.900 55.325 16.839 27.618 -99.200 -91.000 PHE 185 1.000 68.478 6.631 36.818 -99.200 -91.000 PHE 193 1.000 66.054 -2.584 46.117 -99.200 -91.000 HIS 221 0.900 57.985 28.944 37.227 -99.200 -91.000 PHE 222 1.000 64.832 24.442 38.758 -99.200 -91.000 TYR 226 0.840 50.892 24.450 35.000 -99.200 -91.000 PHE 234 1.000 67.152 14.794 40.665 -99.200 -91.000 PHE 265 1.000 51.497 25.107 40.561 -99.200 -91.000 HIS 280 0.900 59.818 22.375 54.630 -99.200 -91.000 TYR 283 0.840 55.781 11.789 44.185 -99.200 -91.000 PHE 288 1.000 64.056 4.190 55.418 -99.200 -91.000 TYR 325 0.840 34.778 22.822 13.482 -99.200 -91.000 HIS 345 0.900 28.646 15.918 19.870 -99.200 -91.000 PHE 350 1.000 34.867 19.689 17.396 -99.200 -91.000 TYR 352 0.840 34.489 16.575 22.762 -99.200 -91.000 TYR 362 0.840 45.961 12.183 26.135 -99.200 -91.000 PHE 376 1.000 51.135 16.054 21.643 -99.200 -91.000 TRP 377 1.040 43.895 14.572 17.739 -99.200 -91.000 TRP6 377 1.020 43.545 16.026 15.910 -99.200 -91.000 TYR 394 0.840 43.732 28.542 27.674 -99.200 -91.000 TRP 409 1.040 56.130 12.632 22.180 -99.200 -91.000 TRP6 409 1.020 54.217 11.259 21.971 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bb5B1 GLU 1 HA -0.02 -0.07 0.07 -0.75 4.29 3.52 2bb5B1 GLU 1 HB2 -0.02 -0.24 0.03 -0.04 2.09 1.83 2bb5B1 GLU 1 HB3 -0.02 -0.00 0.01 -0.04 1.99 1.94 2bb5B1 GLU 1 HG2 -0.03 0.02 -0.05 -0.04 2.34 2.23 2bb5B1 GLU 1 HG3 -0.02 0.03 -0.22 -0.04 2.34 2.09 2bb5B1 MET 2 H -0.02 0.11 -0.03 -0.55 8.47 7.98 2bb5B1 MET 2 HA -0.00 0.04 0.07 -0.75 4.52 3.87 2bb5B1 MET 2 HB2 -0.01 0.12 -0.04 -0.04 2.15 2.17 2bb5B1 MET 2 HB3 -0.00 -0.16 -0.07 -0.04 2.03 1.76 2bb5B1 MET 2 HG2 -0.01 0.08 -0.00 -0.04 2.63 2.65 2bb5B1 MET 2 HG3 -0.01 -0.13 -0.03 -0.04 2.56 2.35 2bb5B1 MET 2 HE3 -0.01 0.00 -0.02 -0.04 2.10 2.04 2bb5B1 CYS 3 H -0.02 0.18 -0.20 -0.55 8.50 7.92 2bb5B1 CYS 3 HA 0.01 0.14 0.72 -0.75 4.58 4.69 2bb5B1 CYS 3 HB2 -0.03 -0.08 0.02 -0.04 2.97 2.85 2bb5B1 CYS 3 HB3 -0.04 0.13 0.07 -0.04 2.97 3.09 2bb5B1 GLU 4 H 0.01 0.32 -0.24 -0.55 8.60 8.14 2bb5B1 GLU 4 HA 0.03 0.13 0.72 -0.75 4.29 4.42 2bb5B1 GLU 4 HB2 -0.00 0.25 -0.05 -0.04 2.09 2.24 2bb5B1 GLU 4 HB3 0.02 -0.03 -0.16 -0.04 1.99 1.77 2bb5B1 GLU 4 HG2 -0.01 -0.14 -0.53 -0.04 2.34 1.62 2bb5B1 GLU 4 HG3 -0.03 0.10 -0.10 -0.04 2.34 2.26 2bb5B1 ILE 5 H 0.08 0.21 0.05 -0.55 8.25 8.03 2bb5B1 ILE 5 HA 0.04 0.12 0.73 -0.75 4.18 4.31 2bb5B1 ILE 5 HB 0.04 0.02 0.07 -0.04 1.89 1.98 2bb5B1 ILE 5 HG12 0.03 -0.08 -0.07 -0.04 1.49 1.33 2bb5B1 ILE 5 HG13 0.04 0.08 -0.15 -0.04 1.21 1.14 2bb5B1 ILE 5 HG23 0.01 0.06 -0.10 -0.04 0.93 0.87 2bb5B1 ILE 5 HD13 0.03 -0.01 -0.14 -0.04 0.88 0.72 2bb5B1 PRO 6 HA 0.07 0.05 0.55 -0.51 4.44 4.60 2bb5B1 PRO 6 HB2 0.03 0.07 -0.02 -0.04 2.28 2.32 2bb5B1 PRO 6 HB3 0.02 -0.03 0.11 -0.04 2.02 2.08 2bb5B1 PRO 6 HG2 0.02 -0.02 0.07 -0.04 2.03 2.06 2bb5B1 PRO 6 HG3 0.02 0.05 0.04 -0.04 2.03 2.10 2bb5B1 PRO 6 HD2 0.02 0.03 0.20 -0.04 3.68 3.90 2bb5B1 PRO 6 HD3 0.03 0.30 0.21 -0.04 3.65 4.14 2bb5B1 GLU 7 H 0.09 0.04 0.13 -0.55 8.60 8.32 2bb5B1 GLU 7 HA 0.04 0.13 0.41 -0.75 4.29 4.12 2bb5B1 GLU 7 HB2 0.11 0.04 0.16 -0.04 2.09 2.35 2bb5B1 GLU 7 HB3 0.05 -0.08 0.08 -0.04 1.99 1.99 2bb5B1 GLU 7 HG2 0.01 0.02 0.12 -0.04 2.34 2.46 2bb5B1 GLU 7 HG3 0.04 0.04 0.09 -0.04 2.34 2.47 2bb5B1 MET 8 H -0.01 0.14 0.15 -0.55 8.47 8.20 2bb5B1 MET 8 HA 0.01 0.22 0.87 -0.75 4.52 4.86 2bb5B1 MET 8 HB2 -0.02 0.07 0.08 -0.04 2.15 2.23 2bb5B1 MET 8 HB3 -0.01 -0.06 0.02 -0.04 2.03 1.95 2bb5B1 MET 8 HG2 0.00 -0.10 0.09 -0.04 2.63 2.58 2bb5B1 MET 8 HG3 -0.00 0.16 -0.04 -0.04 2.56 2.64 2bb5B1 MET 8 HE3 -0.01 0.03 -0.02 -0.04 2.10 2.06 2bb5B1 ASP 9 H 0.01 0.16 0.12 -0.55 8.40 8.14 2bb5B1 ASP 9 HA 0.03 0.08 0.50 -0.75 4.63 4.48 2bb5B1 ASP 9 HB2 0.02 0.11 0.15 -0.04 2.71 2.96 2bb5B1 ASP 9 HB3 0.03 -0.01 0.19 -0.04 2.70 2.87 2bb5B1 SER 10 H 0.04 0.20 0.26 -0.55 8.46 8.41 2bb5B1 SER 10 HA 0.00 0.14 0.33 -0.75 4.49 4.21 2bb5B1 SER 10 HB2 0.02 0.04 0.07 -0.04 3.95 4.05 2bb5B1 SER 10 HB3 0.02 0.10 0.18 -0.04 3.93 4.19 2bb5B1 HIS 11 H 0.15 0.07 -0.29 -0.55 8.41 7.79 2bb5B1 HIS 11 HA 0.00 0.12 0.56 -0.75 4.63 4.56 2bb5B1 HIS 11 HB2 0.00 -0.03 0.06 -0.04 3.26 3.26 2bb5B1 HIS 11 HB3 0.01 0.05 -0.03 -0.04 3.20 3.19 2bb5B1 HIS 11 HD2 0.00 -0.02 -0.04 -0.04 6.97 6.86 2bb5B1 HIS 11 HE1 -0.00 0.04 -0.02 -0.04 7.75 7.72 2bb5B1 LEU 12 H 0.06 0.57 -0.19 -0.55 8.37 8.27 2bb5B1 LEU 12 HA 0.05 0.12 0.63 -0.75 4.35 4.40 2bb5B1 LEU 12 HB2 0.03 -0.04 0.15 -0.04 1.64 1.74 2bb5B1 LEU 12 HB3 0.01 0.04 -0.05 -0.04 1.64 1.61 2bb5B1 LEU 12 HG 0.04 -0.01 0.01 -0.04 1.64 1.65 2bb5B1 LEU 12 HD13 0.02 -0.00 -0.01 -0.04 0.93 0.90 2bb5B1 LEU 12 HD23 0.05 0.01 -0.03 -0.04 0.89 0.88 2bb5B1 VAL 13 H -0.01 0.34 -0.11 -0.55 8.24 7.91 2bb5B1 VAL 13 HA -0.03 0.08 0.50 -0.75 4.13 3.92 2bb5B1 VAL 13 HB -0.04 0.14 0.09 -0.04 2.12 2.27 2bb5B1 VAL 13 HG13 -0.05 0.01 -0.07 -0.04 0.97 0.81 2bb5B1 VAL 13 HG23 -0.04 0.04 -0.05 -0.04 0.95 0.86 2bb5B1 GLU 14 H -0.07 0.39 -0.11 -0.55 8.60 8.26 2bb5B1 GLU 14 HA -0.08 0.04 0.34 -0.75 4.29 3.84 2bb5B1 GLU 14 HB2 -0.25 0.13 0.20 -0.04 2.09 2.13 2bb5B1 GLU 14 HB3 -0.31 0.05 -0.03 -0.04 1.99 1.66 2bb5B1 GLU 14 HG2 -0.16 -0.02 0.03 -0.04 2.34 2.14 2bb5B1 GLU 14 HG3 -0.13 0.04 0.02 -0.04 2.34 2.23 2bb5B1 LYS 15 H -0.01 0.35 -0.45 -0.55 8.42 7.75 2bb5B1 LYS 15 HA 0.01 0.00 0.44 -0.75 4.32 4.02 2bb5B1 LYS 15 HB2 0.06 0.12 0.19 -0.04 1.87 2.21 2bb5B1 LYS 15 HB3 0.06 0.20 0.15 -0.04 1.79 2.16 2bb5B1 LYS 15 HG2 0.14 -0.01 -0.13 -0.04 1.46 1.42 2bb5B1 LYS 15 HG3 0.06 -0.05 0.04 -0.04 1.46 1.47 2bb5B1 LYS 15 HD2 0.09 0.02 0.03 -0.04 1.69 1.78 2bb5B1 LYS 15 HD3 0.12 0.00 -0.02 -0.04 1.68 1.74 2bb5B1 LYS 15 HE2 0.07 0.01 -0.01 -0.04 2.99 3.02 2bb5B1 LYS 15 HE3 0.07 -0.03 -0.00 -0.04 2.99 2.99 2bb5B1 LEU 16 H 0.04 0.37 -0.29 -0.55 8.37 7.95 2bb5B1 LEU 16 HA 0.21 0.06 0.44 -0.75 4.35 4.31 2bb5B1 LEU 16 HB2 0.01 0.17 0.19 -0.04 1.64 1.97 2bb5B1 LEU 16 HB3 0.03 -0.07 -0.01 -0.04 1.64 1.56 2bb5B1 LEU 16 HG 0.04 0.12 0.09 -0.04 1.64 1.85 2bb5B1 LEU 16 HD13 -0.11 -0.02 -0.00 -0.04 0.93 0.75 2bb5B1 LEU 16 HD23 0.08 -0.03 0.04 -0.04 0.89 0.94 2bb5B1 GLY 17 H 0.01 0.56 -0.06 -0.55 8.43 8.39 2bb5B1 GLY 17 HA2 0.03 -0.01 0.36 -0.51 4.01 3.88 2bb5B1 GLY 17 HA3 -0.00 0.08 0.24 -0.51 4.01 3.81 2bb5B1 GLN 18 H 0.01 0.51 -0.37 -0.55 8.47 8.07 2bb5B1 GLN 18 HA -0.01 -0.02 0.48 -0.75 4.36 4.06 2bb5B1 GLN 18 HB2 -0.05 0.22 0.16 -0.04 2.15 2.44 2bb5B1 GLN 18 HB3 -0.08 -0.13 0.07 -0.04 2.02 1.83 2bb5B1 GLN 18 HG2 -0.04 -0.05 0.01 -0.04 2.40 2.28 2bb5B1 GLN 18 HG3 -0.04 -0.02 -0.01 -0.04 2.39 2.28 2bb5B1 GLN 18 HE21 -0.11 -0.09 -0.14 -0.04 6.97 6.60 2bb5B1 GLN 18 HE22 -0.07 -0.03 -0.04 -0.04 7.69 7.51 2bb5B1 HIS 19 H 0.13 0.45 -0.27 -0.55 8.41 8.17 2bb5B1 HIS 19 HA 0.07 0.02 0.62 -0.75 4.63 4.59 2bb5B1 HIS 19 HB2 0.09 0.27 0.20 -0.04 3.26 3.78 2bb5B1 HIS 19 HB3 0.15 -0.05 0.01 -0.04 3.20 3.27 2bb5B1 HIS 19 HD2 0.07 0.06 -0.00 -0.04 6.97 7.06 2bb5B1 HIS 19 HE1 0.06 -0.05 0.03 -0.04 7.75 7.75 2bb5B1 LEU 20 H 0.15 0.36 -0.26 -0.55 8.37 8.08 2bb5B1 LEU 20 HA 0.37 0.01 0.51 -0.75 4.35 4.49 2bb5B1 LEU 20 HB2 0.07 0.26 0.12 -0.04 1.64 2.06 2bb5B1 LEU 20 HB3 0.07 -0.11 -0.03 -0.04 1.64 1.54 2bb5B1 LEU 20 HG 0.10 0.08 -0.04 -0.04 1.64 1.74 2bb5B1 LEU 20 HD13 0.01 -0.00 -0.10 -0.04 0.93 0.80 2bb5B1 LEU 20 HD23 0.05 -0.01 0.01 -0.04 0.89 0.90 2bb5B1 LEU 21 H 0.07 0.30 -0.28 -0.55 8.37 7.91 2bb5B1 LEU 21 HA 0.03 -0.04 0.25 -0.75 4.35 3.83 2bb5B1 LEU 21 HB2 0.01 0.12 0.15 -0.04 1.64 1.87 2bb5B1 LEU 21 HB3 -0.01 0.04 0.07 -0.04 1.64 1.70 2bb5B1 LEU 21 HG -0.01 -0.07 -0.06 -0.04 1.64 1.46 2bb5B1 LEU 21 HD13 -0.00 -0.00 -0.01 -0.04 0.93 0.88 2bb5B1 LEU 21 HD23 -0.02 -0.04 -0.13 -0.04 0.89 0.67 2bb5B1 PRO 22 HA -0.09 0.07 0.57 -0.51 4.44 4.47 2bb5B1 PRO 22 HB2 -0.38 -0.00 0.02 -0.04 2.28 1.88 2bb5B1 PRO 22 HB3 -0.16 -0.02 0.10 -0.04 2.02 1.89 2bb5B1 PRO 22 HG2 -0.29 0.09 -0.01 -0.04 2.03 1.78 2bb5B1 PRO 22 HG3 -0.12 0.01 0.06 -0.04 2.03 1.94 2bb5B1 PRO 22 HD2 0.06 0.19 -0.62 -0.04 3.68 3.27 2bb5B1 PRO 22 HD3 -0.04 0.15 0.07 -0.04 3.65 3.79 2bb5B1 TRP 23 H 0.15 0.62 -0.33 -0.55 7.97 7.86 2bb5B1 TRP 23 HA 0.04 0.06 0.67 -0.75 4.62 4.64 2bb5B1 TRP 23 HB2 -0.01 0.25 0.17 -0.04 3.23 3.60 2bb5B1 TRP 23 HB3 0.06 -0.04 0.08 -0.04 3.23 3.29 2bb5B1 TRP 23 HD1 0.05 0.16 0.14 -0.04 7.22 7.53 2bb5B1 TRP 23 HE1 0.07 0.03 0.06 -0.04 10.20 10.31 2bb5B1 TRP 23 HE3 0.12 0.05 0.14 -0.04 7.59 7.85 2bb5B1 TRP 23 HZ2 0.08 -0.01 0.02 -0.04 7.44 7.49 2bb5B1 TRP 23 HZ3 0.26 -0.01 0.06 -0.04 7.13 7.40 2bb5B1 TRP 23 HH2 0.20 -0.04 0.02 -0.04 7.19 7.34 2bb5B1 MET 24 H 0.10 0.38 -0.19 -0.55 8.47 8.21 2bb5B1 MET 24 HA -0.04 0.04 0.26 -0.75 4.52 4.03 2bb5B1 MET 24 HB2 0.04 0.19 0.01 -0.04 2.15 2.34 2bb5B1 MET 24 HB3 0.05 -0.10 0.02 -0.04 2.03 1.96 2bb5B1 MET 24 HG2 -0.02 0.11 -0.06 -0.04 2.63 2.61 2bb5B1 MET 24 HG3 -0.02 -0.03 -0.05 -0.04 2.56 2.42 2bb5B1 MET 24 HE3 -0.81 0.01 -0.16 -0.04 2.10 1.10 2bb5B1 ASP 25 H 0.11 0.10 -0.99 -0.55 8.40 7.07 2bb5B1 ASP 25 HA 0.11 0.17 0.85 -0.75 4.63 5.01 2bb5B1 ASP 25 HB2 -0.01 0.14 -0.03 -0.04 2.71 2.76 2bb5B1 ASP 25 HB3 0.02 -0.05 0.04 -0.04 2.70 2.67 2bb5B1 ARG 26 H 0.17 0.29 -0.08 -0.55 8.46 8.29 2bb5B1 ARG 26 HA 0.05 0.05 0.76 -0.75 4.34 4.45 2bb5B1 ARG 26 HB2 -0.05 0.07 0.18 -0.04 1.90 2.05 2bb5B1 ARG 26 HB3 0.31 0.09 0.25 -0.04 1.80 2.41 2bb5B1 ARG 26 HG2 -0.12 -0.09 -0.01 -0.04 1.67 1.41 2bb5B1 ARG 26 HG3 -0.11 -0.00 0.05 -0.04 1.67 1.56 2bb5B1 ARG 26 HD2 -0.56 0.03 0.04 -0.04 3.22 2.69 2bb5B1 ARG 26 HD3 -0.91 -0.03 -0.00 -0.04 3.22 2.23 2bb5B1 LEU 27 H 0.10 0.36 -0.07 -0.55 8.37 8.22 2bb5B1 LEU 27 HA 0.05 0.16 0.39 -0.75 4.35 4.19 2bb5B1 LEU 27 HB2 0.05 -0.01 -0.02 -0.04 1.64 1.62 2bb5B1 LEU 27 HB3 0.01 -0.03 0.08 -0.04 1.64 1.66 2bb5B1 LEU 27 HG 0.12 0.08 -0.25 -0.04 1.64 1.56 2bb5B1 LEU 27 HD13 0.08 -0.00 -0.05 -0.04 0.93 0.92 2bb5B1 LEU 27 HD23 0.17 0.04 -0.20 -0.04 0.89 0.85 2bb5B1 SER 28 H 0.12 0.04 -0.46 -0.55 8.46 7.61 2bb5B1 SER 28 HA 0.06 0.07 0.43 -0.75 4.49 4.29 2bb5B1 SER 28 HB2 0.11 0.07 0.03 -0.04 3.95 4.12 2bb5B1 SER 28 HB3 0.24 0.05 -0.08 -0.04 3.93 4.10 2bb5B1 LEU 29 H 0.02 0.17 0.17 -0.55 8.37 8.19 2bb5B1 LEU 29 HA -0.03 0.11 0.37 -0.75 4.35 4.05 2bb5B1 LEU 29 HB2 -0.04 0.04 0.17 -0.04 1.64 1.76 2bb5B1 LEU 29 HB3 -0.03 -0.01 0.11 -0.04 1.64 1.67 2bb5B1 LEU 29 HG -0.11 0.04 -0.13 -0.04 1.64 1.40 2bb5B1 LEU 29 HD13 -0.19 -0.01 0.02 -0.04 0.93 0.70 2bb5B1 LEU 29 HD23 -0.09 -0.01 0.05 -0.04 0.89 0.80 2bb5B1 GLU 30 H 0.03 0.04 -0.42 -0.55 8.60 7.71 2bb5B1 GLU 30 HA -0.06 0.19 0.68 -0.75 4.29 4.34 2bb5B1 GLU 30 HB2 -0.09 -0.04 0.13 -0.04 2.09 2.05 2bb5B1 GLU 30 HB3 -0.04 0.04 -0.01 -0.04 1.99 1.95 2bb5B1 GLU 30 HG2 0.02 0.02 -0.03 -0.04 2.34 2.30 2bb5B1 GLU 30 HG3 0.08 -0.02 -0.16 -0.04 2.34 2.19 2bb5B1 HIS 31 H 0.12 0.41 -0.43 -0.55 8.41 7.97 2bb5B1 HIS 31 HA 0.12 0.07 0.52 -0.75 4.63 4.59 2bb5B1 HIS 31 HB2 0.17 -0.12 -0.15 -0.04 3.26 3.12 2bb5B1 HIS 31 HB3 0.36 0.11 0.07 -0.04 3.20 3.69 2bb5B1 HIS 31 HD2 0.12 -0.11 -0.20 -0.04 6.97 6.74 2bb5B1 HIS 31 HE1 0.39 -0.04 0.02 -0.04 7.75 8.08 2bb5B1 LEU 32 H 0.10 0.09 -0.02 -0.55 8.37 8.00 2bb5B1 LEU 32 HA 0.11 0.13 0.57 -0.75 4.35 4.40 2bb5B1 LEU 32 HB2 0.08 0.01 0.06 -0.04 1.64 1.75 2bb5B1 LEU 32 HB3 0.03 -0.07 -0.10 -0.04 1.64 1.46 2bb5B1 LEU 32 HG -0.02 0.12 -0.32 -0.04 1.64 1.38 2bb5B1 LEU 32 HD13 -0.03 -0.03 -0.19 -0.04 0.93 0.64 2bb5B1 LEU 32 HD23 -0.47 0.01 -0.05 -0.04 0.89 0.34 2bb5B1 ASN 33 H 0.35 0.20 0.06 -0.55 8.53 8.60 2bb5B1 ASN 33 HA 0.10 0.19 0.89 -0.75 4.76 5.18 2bb5B1 ASN 33 HB2 -0.01 0.19 -0.21 -0.04 2.88 2.80 2bb5B1 ASN 33 HB3 0.08 0.00 0.15 -0.04 2.79 2.98 2bb5B1 ASN 33 HD21 -0.11 0.07 0.05 -0.04 7.03 7.00 2bb5B1 ASN 33 HD22 -0.26 0.04 -0.01 -0.04 7.74 7.47 2bb5B1 PRO 34 HA 0.09 0.09 0.32 -0.51 4.44 4.43 2bb5B1 PRO 34 HB2 -0.02 -0.00 -0.26 -0.04 2.28 1.95 2bb5B1 PRO 34 HB3 -0.09 0.10 -0.17 -0.04 2.02 1.81 2bb5B1 PRO 34 HG2 -0.10 0.10 0.00 -0.04 2.03 1.99 2bb5B1 PRO 34 HG3 -0.36 0.08 -0.01 -0.04 2.03 1.69 2bb5B1 PRO 34 HD2 0.08 0.05 0.16 -0.04 3.68 3.93 2bb5B1 PRO 34 HD3 0.13 0.28 -0.07 -0.04 3.65 3.95 2bb5B1 SER 35 H 0.05 0.05 -0.40 -0.55 8.46 7.62 2bb5B1 SER 35 HA 0.04 0.15 0.34 -0.75 4.49 4.27 2bb5B1 SER 35 HB2 0.04 -0.07 0.01 -0.04 3.95 3.89 2bb5B1 SER 35 HB3 0.03 0.01 -0.05 -0.04 3.93 3.87 2bb5B1 ILE 36 H 0.06 0.20 -0.21 -0.55 8.25 7.75 2bb5B1 ILE 36 HA 0.00 0.08 0.45 -0.75 4.18 3.96 2bb5B1 ILE 36 HB 0.04 0.15 0.15 -0.04 1.89 2.19 2bb5B1 ILE 36 HG12 -0.10 0.05 -0.06 -0.04 1.49 1.35 2bb5B1 ILE 36 HG13 -0.09 -0.11 -0.05 -0.04 1.21 0.92 2bb5B1 ILE 36 HG23 -0.09 0.01 -0.15 -0.04 0.93 0.65 2bb5B1 ILE 36 HD13 -0.27 0.00 0.01 -0.04 0.88 0.58 2bb5B1 TYR 37 H 0.23 0.24 -0.12 -0.55 8.29 8.09 2bb5B1 TYR 37 HA -0.02 0.00 0.33 -0.75 4.56 4.11 2bb5B1 TYR 37 HB2 0.24 -0.05 0.02 -0.04 3.06 3.22 2bb5B1 TYR 37 HB3 0.08 0.08 0.08 -0.04 2.98 3.17 2bb5B1 TYR 37 HD2 0.08 -0.02 -0.12 -0.04 7.15 7.05 2bb5B1 TYR 37 HE2 0.03 0.07 -0.15 -0.04 6.85 6.76 2bb5B1 VAL 38 H 0.16 0.44 -0.20 -0.55 8.24 8.09 2bb5B1 VAL 38 HA 0.03 0.07 0.36 -0.75 4.13 3.84 2bb5B1 VAL 38 HB 0.05 0.02 0.05 -0.04 2.12 2.20 2bb5B1 VAL 38 HG13 0.02 0.01 -0.16 -0.04 0.97 0.80 2bb5B1 VAL 38 HG23 0.00 0.07 -0.16 -0.04 0.95 0.83 2bb5B1 GLY 39 H 0.05 0.44 -0.28 -0.55 8.43 8.09 2bb5B1 GLY 39 HA2 0.05 0.12 0.42 -0.51 4.01 4.09 2bb5B1 GLY 39 HA3 0.02 -0.09 0.39 -0.51 4.01 3.83 2bb5B1 LEU 40 H -0.08 0.47 -0.10 -0.55 8.37 8.11 2bb5B1 LEU 40 HA -0.07 -0.03 0.29 -0.75 4.35 3.79 2bb5B1 LEU 40 HB2 -0.19 0.07 0.15 -0.04 1.64 1.62 2bb5B1 LEU 40 HB3 -0.14 -0.01 -0.04 -0.04 1.64 1.41 2bb5B1 LEU 40 HG -0.06 0.03 -0.05 -0.04 1.64 1.51 2bb5B1 LEU 40 HD13 -0.09 -0.07 -0.06 -0.04 0.93 0.67 2bb5B1 LEU 40 HD23 -0.04 -0.01 -0.16 -0.04 0.89 0.64 2bb5B1 ARG 41 H -0.25 0.46 -0.02 -0.55 8.46 8.10 2bb5B1 ARG 41 HA -0.14 -0.00 0.30 -0.75 4.34 3.74 2bb5B1 ARG 41 HB2 -0.15 0.01 0.10 -0.04 1.90 1.81 2bb5B1 ARG 41 HB3 -0.12 0.13 0.07 -0.04 1.80 1.84 2bb5B1 ARG 41 HG2 -0.84 0.09 0.07 -0.04 1.67 0.94 2bb5B1 ARG 41 HG3 -0.46 -0.03 -0.11 -0.04 1.67 1.04 2bb5B1 ARG 41 HD2 -0.25 -0.06 -0.02 -0.04 3.22 2.85 2bb5B1 ARG 41 HD3 -0.41 -0.17 -0.04 -0.04 3.22 2.56 2bb5B1 LEU 42 H -0.05 0.34 -0.43 -0.55 8.37 7.68 2bb5B1 LEU 42 HA -0.02 0.12 0.60 -0.75 4.35 4.30 2bb5B1 LEU 42 HB2 0.02 0.09 -0.02 -0.04 1.64 1.69 2bb5B1 LEU 42 HB3 0.01 -0.11 0.02 -0.04 1.64 1.51 2bb5B1 LEU 42 HG 0.03 0.01 -0.07 -0.04 1.64 1.56 2bb5B1 LEU 42 HD13 0.17 -0.04 -0.21 -0.04 0.93 0.81 2bb5B1 LEU 42 HD23 0.02 0.00 -0.11 -0.04 0.89 0.76 2bb5B1 SER 43 H -0.05 0.48 -0.35 -0.55 8.46 7.99 2bb5B1 SER 43 HA -0.05 0.17 0.52 -0.75 4.49 4.37 2bb5B1 SER 43 HB2 -0.05 -0.24 0.12 -0.04 3.95 3.73 2bb5B1 SER 43 HB3 -0.04 0.06 -0.03 -0.04 3.93 3.88 2bb5B1 SER 44 H -0.05 0.05 0.11 -0.55 8.46 8.02 2bb5B1 SER 44 HA -0.03 0.29 0.75 -0.75 4.49 4.75 2bb5B1 SER 44 HB2 -0.02 -0.06 0.18 -0.04 3.95 4.01 2bb5B1 SER 44 HB3 -0.04 0.09 0.11 -0.04 3.93 4.05 2bb5B1 LEU 45 H -0.04 0.07 -0.21 -0.55 8.37 7.65 2bb5B1 LEU 45 HA -0.04 0.28 0.81 -0.75 4.35 4.65 2bb5B1 LEU 45 HB2 -0.04 -0.03 -0.07 -0.04 1.64 1.46 2bb5B1 LEU 45 HB3 -0.04 0.00 -0.09 -0.04 1.64 1.48 2bb5B1 LEU 45 HG -0.04 -0.10 -0.27 -0.04 1.64 1.18 2bb5B1 LEU 45 HD13 -0.03 -0.03 -0.19 -0.04 0.93 0.64 2bb5B1 LEU 45 HD23 -0.05 0.02 -0.13 -0.04 0.89 0.68 2bb5B1 GLN 46 H -0.03 0.55 0.05 -0.55 8.47 8.48 2bb5B1 GLN 46 HA -0.05 0.10 0.67 -0.75 4.36 4.32 2bb5B1 GLN 46 HB2 -0.04 0.17 -0.25 -0.04 2.15 1.99 2bb5B1 GLN 46 HB3 -0.02 0.13 -0.34 -0.04 2.02 1.74 2bb5B1 GLN 46 HG2 -0.02 -0.15 -0.67 -0.04 2.40 1.52 2bb5B1 GLN 46 HG3 -0.03 -0.01 -0.11 -0.04 2.39 2.20 2bb5B1 GLN 46 HE21 -0.00 -0.02 -0.09 -0.04 6.97 6.82 2bb5B1 GLN 46 HE22 -0.01 -0.06 -0.24 -0.04 7.69 7.33 2bb5B1 ALA 47 H -0.04 0.15 0.03 -0.55 8.40 7.99 2bb5B1 ALA 47 HA -0.02 0.11 0.45 -0.75 4.34 4.14 2bb5B1 ALA 47 HB3 -0.01 -0.02 0.07 -0.04 1.41 1.40 2bb5B1 GLY 48 H 0.00 0.21 0.08 -0.55 8.43 8.17 2bb5B1 GLY 48 HA2 0.01 0.15 0.27 -0.51 4.01 3.93 2bb5B1 GLY 48 HA3 0.01 0.13 0.61 -0.51 4.01 4.25 2bb5B1 THR 49 H 0.02 0.23 0.13 -0.55 8.28 8.12 2bb5B1 THR 49 HA 0.04 0.13 0.45 -0.75 4.39 4.25 2bb5B1 THR 49 HB 0.03 0.02 0.06 -0.04 4.32 4.38 2bb5B1 THR 49 HG23 0.02 0.03 0.06 -0.04 1.22 1.28 2bb5B1 LYS 50 H 0.04 0.11 -0.22 -0.55 8.42 7.80 2bb5B1 LYS 50 HA 0.08 0.08 0.36 -0.75 4.32 4.08 2bb5B1 LYS 50 HB2 0.04 -0.05 -0.08 -0.04 1.87 1.75 2bb5B1 LYS 50 HB3 0.08 0.16 -0.01 -0.04 1.79 1.98 2bb5B1 LYS 50 HG2 0.03 -0.11 0.01 -0.04 1.46 1.35 2bb5B1 LYS 50 HG3 0.03 0.07 -0.06 -0.04 1.46 1.46 2bb5B1 LYS 50 HD2 0.03 0.02 -0.05 -0.04 1.69 1.65 2bb5B1 LYS 50 HD3 0.05 0.11 -0.09 -0.04 1.68 1.72 2bb5B1 LYS 50 HE2 0.05 -0.07 -0.02 -0.04 2.99 2.92 2bb5B1 LYS 50 HE3 0.03 -0.01 -0.03 -0.04 2.99 2.94 2bb5B1 GLU 51 H 0.07 0.20 -0.43 -0.55 8.60 7.90 2bb5B1 GLU 51 HA 0.18 0.03 0.36 -0.75 4.29 4.11 2bb5B1 GLU 51 HB2 0.07 0.25 0.18 -0.04 2.09 2.55 2bb5B1 GLU 51 HB3 0.14 0.09 -0.03 -0.04 1.99 2.15 2bb5B1 GLU 51 HG2 -0.04 0.03 0.04 -0.04 2.34 2.34 2bb5B1 GLU 51 HG3 -0.00 -0.19 0.09 -0.04 2.34 2.20 2bb5B1 ASP 52 H 0.12 0.28 -0.05 -0.55 8.40 8.19 2bb5B1 ASP 52 HA 0.16 0.07 0.34 -0.75 4.63 4.45 2bb5B1 ASP 52 HB2 0.07 0.09 0.16 -0.04 2.71 2.99 2bb5B1 ASP 52 HB3 0.07 -0.01 0.01 -0.04 2.70 2.73 2bb5B1 LEU 53 H 0.12 0.34 -0.23 -0.55 8.37 8.05 2bb5B1 LEU 53 HA 0.09 0.02 0.45 -0.75 4.35 4.16 2bb5B1 LEU 53 HB2 0.06 -0.01 0.07 -0.04 1.64 1.72 2bb5B1 LEU 53 HB3 0.12 0.17 0.09 -0.04 1.64 1.98 2bb5B1 LEU 53 HG 0.09 -0.04 -0.03 -0.04 1.64 1.63 2bb5B1 LEU 53 HD13 -0.02 -0.01 0.01 -0.04 0.93 0.87 2bb5B1 LEU 53 HD23 0.06 0.01 -0.02 -0.04 0.89 0.90 2bb5B1 TYR 54 H 0.27 0.52 -0.14 -0.55 8.29 8.40 2bb5B1 TYR 54 HA 0.10 0.02 0.47 -0.75 4.56 4.39 2bb5B1 TYR 54 HB2 0.14 0.14 0.11 -0.04 3.06 3.41 2bb5B1 TYR 54 HB3 0.20 0.10 0.15 -0.04 2.98 3.39 2bb5B1 TYR 54 HD2 0.15 0.07 -0.16 -0.04 7.15 7.17 2bb5B1 TYR 54 HE2 0.16 0.13 -0.13 -0.04 6.85 6.97 2bb5B1 LEU 55 H 0.18 0.63 -0.03 -0.55 8.37 8.60 2bb5B1 LEU 55 HA -0.26 -0.02 0.41 -0.75 4.35 3.72 2bb5B1 LEU 55 HB2 -0.60 0.02 0.04 -0.04 1.64 1.07 2bb5B1 LEU 55 HB3 0.01 0.13 0.12 -0.04 1.64 1.86 2bb5B1 LEU 55 HG -0.10 -0.06 -0.26 -0.04 1.64 1.16 2bb5B1 LEU 55 HD13 -0.51 -0.00 -0.09 -0.04 0.93 0.29 2bb5B1 LEU 55 HD23 0.02 0.02 -0.05 -0.04 0.89 0.84 2bb5B1 HIS 56 H 0.14 0.46 -0.27 -0.55 8.41 8.19 2bb5B1 HIS 56 HA -0.01 0.03 0.45 -0.75 4.63 4.36 2bb5B1 HIS 56 HB2 0.02 0.03 0.10 -0.04 3.26 3.37 2bb5B1 HIS 56 HB3 0.02 0.11 0.20 -0.04 3.20 3.49 2bb5B1 HIS 56 HD2 0.01 0.05 -0.17 -0.04 6.97 6.80 2bb5B1 HIS 56 HE1 0.01 -0.01 -0.02 -0.04 7.75 7.69 2bb5B1 SER 57 H 0.05 0.50 -0.20 -0.55 8.46 8.26 2bb5B1 SER 57 HA -0.09 -0.01 0.52 -0.75 4.49 4.15 2bb5B1 SER 57 HB2 -0.15 0.14 0.16 -0.04 3.95 4.05 2bb5B1 SER 57 HB3 -0.06 -0.01 0.09 -0.04 3.93 3.91 2bb5B1 LEU 58 H -0.13 0.50 -0.20 -0.55 8.37 7.99 2bb5B1 LEU 58 HA 0.01 -0.04 0.43 -0.75 4.35 4.00 2bb5B1 LEU 58 HB2 -0.11 0.21 0.18 -0.04 1.64 1.88 2bb5B1 LEU 58 HB3 -0.01 -0.05 -0.04 -0.04 1.64 1.50 2bb5B1 LEU 58 HG -0.30 0.23 -0.03 -0.04 1.64 1.50 2bb5B1 LEU 58 HD13 -0.11 -0.02 -0.09 -0.04 0.93 0.67 2bb5B1 LEU 58 HD23 -0.10 -0.05 -0.15 -0.04 0.89 0.55 2bb5B1 LYS 59 H -0.02 0.69 -0.07 -0.55 8.42 8.46 2bb5B1 LYS 59 HA 0.17 -0.02 0.37 -0.75 4.32 4.10 2bb5B1 LYS 59 HB2 -0.09 0.11 0.15 -0.04 1.87 2.01 2bb5B1 LYS 59 HB3 -0.00 -0.06 -0.01 -0.04 1.79 1.67 2bb5B1 LYS 59 HG2 0.10 -0.06 0.00 -0.04 1.46 1.46 2bb5B1 LYS 59 HG3 0.01 0.15 0.05 -0.04 1.46 1.62 2bb5B1 LYS 59 HD2 0.01 -0.01 -0.04 -0.04 1.69 1.61 2bb5B1 LYS 59 HD3 0.02 -0.05 -0.02 -0.04 1.68 1.59 2bb5B1 LYS 59 HE2 -0.02 -0.02 -0.05 -0.04 2.99 2.86 2bb5B1 LYS 59 HE3 -0.06 0.03 -0.08 -0.04 2.99 2.83 2bb5B1 LEU 60 H -0.20 0.50 -0.33 -0.55 8.37 7.80 2bb5B1 LEU 60 HA -0.13 -0.00 0.43 -0.75 4.35 3.90 2bb5B1 LEU 60 HB2 -0.37 0.07 0.14 -0.04 1.64 1.44 2bb5B1 LEU 60 HB3 -0.17 0.06 0.28 -0.04 1.64 1.77 2bb5B1 LEU 60 HG -0.08 -0.02 -0.17 -0.04 1.64 1.33 2bb5B1 LEU 60 HD13 -0.06 -0.01 0.02 -0.04 0.93 0.84 2bb5B1 LEU 60 HD23 -0.02 -0.01 0.02 -0.04 0.89 0.84 2bb5B1 GLY 61 H -0.07 0.78 0.12 -0.55 8.43 8.71 2bb5B1 GLY 61 HA2 -0.09 -0.02 0.35 -0.51 4.01 3.73 2bb5B1 GLY 61 HA3 -0.07 0.06 0.37 -0.51 4.01 3.85 2bb5B1 TYR 62 H 0.06 0.57 -0.03 -0.55 8.29 8.34 2bb5B1 TYR 62 HA -0.25 -0.04 0.33 -0.75 4.56 3.84 2bb5B1 TYR 62 HB2 -0.81 0.36 0.10 -0.04 3.06 2.67 2bb5B1 TYR 62 HB3 -0.90 -0.05 -0.04 -0.04 2.98 1.95 2bb5B1 TYR 62 HD2 -0.26 0.05 0.04 -0.04 7.15 6.93 2bb5B1 TYR 62 HE2 -0.07 -0.05 -0.25 -0.04 6.85 6.44 2bb5B1 GLN 63 H -0.13 0.44 -0.31 -0.55 8.47 7.92 2bb5B1 GLN 63 HA -0.10 0.04 0.77 -0.75 4.36 4.32 2bb5B1 GLN 63 HB2 -0.06 0.28 0.23 -0.04 2.15 2.55 2bb5B1 GLN 63 HB3 -0.04 -0.09 0.04 -0.04 2.02 1.89 2bb5B1 GLN 63 HG2 -0.04 -0.06 -0.05 -0.04 2.40 2.22 2bb5B1 GLN 63 HG3 -0.05 0.07 0.03 -0.04 2.39 2.40 2bb5B1 GLN 63 HE21 0.02 -0.07 -0.01 -0.04 6.97 6.87 2bb5B1 GLN 63 HE22 -0.01 0.12 0.01 -0.04 7.69 7.78 2bb5B1 GLN 64 H -0.09 0.77 0.17 -0.55 8.47 8.78 2bb5B1 GLN 64 HA -0.06 0.03 0.46 -0.75 4.36 4.03 2bb5B1 GLN 64 HB2 -0.06 0.01 0.16 -0.04 2.15 2.21 2bb5B1 GLN 64 HB3 -0.08 0.03 0.12 -0.04 2.02 2.05 2bb5B1 GLN 64 HG2 -0.06 -0.02 -0.12 -0.04 2.40 2.16 2bb5B1 GLN 64 HG3 -0.05 -0.03 0.09 -0.04 2.39 2.35 2bb5B1 GLN 64 HE21 -0.03 -0.04 -0.02 -0.04 6.97 6.83 2bb5B1 GLN 64 HE22 -0.05 0.01 -0.04 -0.04 7.69 7.56 2bb5B1 CYS 65 H -0.12 0.38 -0.38 -0.55 8.50 7.84 2bb5B1 CYS 65 HA -0.09 0.10 0.57 -0.75 4.58 4.40 2bb5B1 CYS 65 HB2 -0.19 0.08 0.05 -0.04 2.97 2.87 2bb5B1 CYS 65 HB3 -0.14 -0.16 -0.02 -0.04 2.97 2.61 2bb5B1 LEU 66 H -0.13 0.33 -0.09 -0.55 8.37 7.94 2bb5B1 LEU 66 HA -0.09 0.06 0.60 -0.75 4.35 4.16 2bb5B1 LEU 66 HB2 -0.11 0.36 0.24 -0.04 1.64 2.10 2bb5B1 LEU 66 HB3 -0.08 -0.09 0.08 -0.04 1.64 1.52 2bb5B1 LEU 66 HG -0.16 -0.05 0.01 -0.04 1.64 1.40 2bb5B1 LEU 66 HD13 -0.07 -0.00 -0.01 -0.04 0.93 0.81 2bb5B1 LEU 66 HD23 -0.08 0.01 -0.00 -0.04 0.89 0.77 2bb5B1 LEU 67 H -0.08 0.57 -0.25 -0.55 8.37 8.07 2bb5B1 LEU 67 HA -0.07 -0.01 0.57 -0.75 4.35 4.09 2bb5B1 LEU 67 HB2 -0.05 -0.11 0.01 -0.04 1.64 1.45 2bb5B1 LEU 67 HB3 -0.05 0.04 -0.03 -0.04 1.64 1.56 2bb5B1 LEU 67 HG -0.06 0.32 0.18 -0.04 1.64 2.03 2bb5B1 LEU 67 HD13 -0.03 -0.04 -0.02 -0.04 0.93 0.80 2bb5B1 LEU 67 HD23 -0.02 -0.05 0.02 -0.04 0.89 0.79 2bb5B1 GLY 68 H -0.07 0.04 -0.05 -0.55 8.43 7.81 2bb5B1 GLY 68 HA2 -0.06 -0.14 0.34 -0.51 4.01 3.64 2bb5B1 GLY 68 HA3 -0.05 0.33 0.92 -0.51 4.01 4.70 2bb5B1 SER 69 H -0.08 -0.25 0.25 -0.55 8.46 7.83 2bb5B1 SER 69 HA -0.03 0.15 0.24 -0.75 4.49 4.09 2bb5B1 SER 69 HB2 -0.04 0.27 0.05 -0.04 3.95 4.19 2bb5B1 SER 69 HB3 -0.05 0.00 -0.08 -0.04 3.93 3.77 2bb5B1 ALA 70 H -0.10 -0.17 0.20 -0.55 8.40 7.78 2bb5B1 ALA 70 HA -0.26 0.06 0.39 -0.75 4.34 3.79 2bb5B1 ALA 70 HB3 -0.03 0.07 0.19 -0.04 1.41 1.61 2bb5B1 PHE 71 H 0.14 0.24 0.15 -0.55 8.34 8.31 2bb5B1 PHE 71 HA -0.03 0.19 0.70 -0.75 4.62 4.73 2bb5B1 PHE 71 HB2 -0.02 0.01 0.08 -0.04 3.15 3.19 2bb5B1 PHE 71 HB3 -0.02 0.06 0.17 -0.04 3.06 3.23 2bb5B1 PHE 71 HD2 -0.02 0.02 0.01 -0.04 7.28 7.25 2bb5B1 PHE 71 HE2 -0.01 0.00 -0.02 -0.04 7.38 7.31 2bb5B1 PHE 71 HZ -0.01 0.00 -0.02 -0.04 7.32 7.25 2bb5B1 SER 72 H -0.00 0.03 -0.64 -0.55 8.46 7.30 2bb5B1 SER 72 HA -0.00 -0.11 0.29 -0.75 4.49 3.92 2bb5B1 SER 72 HB2 0.01 0.16 -0.09 -0.04 3.95 3.99 2bb5B1 SER 72 HB3 -0.01 -0.02 -0.09 -0.04 3.93 3.77 2bb5B1 GLU 73 H 0.01 0.03 0.10 -0.55 8.60 8.19 2bb5B1 GLU 73 HA 0.02 0.17 0.58 -0.75 4.29 4.30 2bb5B1 GLU 73 HB2 0.01 -0.01 0.10 -0.04 2.09 2.15 2bb5B1 GLU 73 HB3 -0.00 -0.14 0.15 -0.04 1.99 1.96 2bb5B1 GLU 73 HG2 -0.00 0.13 -0.16 -0.04 2.34 2.28 2bb5B1 GLU 73 HG3 0.01 -0.00 0.02 -0.04 2.34 2.33 2bb5B1 ASP 74 H -0.01 -0.04 0.03 -0.55 8.40 7.84 2bb5B1 ASP 74 HA -0.01 -0.12 0.33 -0.75 4.63 4.08 2bb5B1 ASP 74 HB2 -0.00 0.43 0.35 -0.04 2.71 3.44 2bb5B1 ASP 74 HB3 -0.01 -0.05 -0.01 -0.04 2.70 2.59 2bb5B1 ASP 75 H -0.01 -0.19 0.17 -0.55 8.40 7.82 2bb5B1 ASP 75 HA -0.01 0.19 0.52 -0.75 4.63 4.58 2bb5B1 ASP 75 HB2 -0.01 0.02 0.05 -0.04 2.71 2.73 2bb5B1 ASP 75 HB3 -0.01 0.15 -0.03 -0.04 2.70 2.78 2bb5B1 GLY 76 H -0.02 -0.09 0.08 -0.55 8.43 7.86 2bb5B1 GLY 76 HA2 -0.02 0.10 0.36 -0.51 4.01 3.95 2bb5B1 GLY 76 HA3 -0.02 0.13 0.59 -0.51 4.01 4.20 2bb5B1 ASP 77 H -0.02 0.23 -0.05 -0.55 8.40 8.00 2bb5B1 ASP 77 HA -0.03 0.06 0.24 -0.75 4.63 4.14 2bb5B1 ASP 77 HB2 -0.04 -0.22 0.16 -0.04 2.71 2.57 2bb5B1 ASP 77 HB3 -0.03 0.25 0.27 -0.04 2.70 3.14 2bb5B1 CYS 78 H -0.03 0.19 0.01 -0.55 8.50 8.12 2bb5B1 CYS 78 HA -0.03 0.14 0.36 -0.75 4.58 4.30 2bb5B1 CYS 78 HB2 -0.03 -0.04 0.10 -0.04 2.97 2.96 2bb5B1 CYS 78 HB3 -0.03 0.08 0.19 -0.04 2.97 3.16 2bb5B1 GLN 79 H -0.04 -0.10 -0.88 -0.55 8.47 6.89 2bb5B1 GLN 79 HA -0.05 0.13 0.52 -0.75 4.36 4.21 2bb5B1 GLN 79 HB2 -0.09 -0.04 -0.00 -0.04 2.15 1.97 2bb5B1 GLN 79 HB3 -0.07 0.17 -0.03 -0.04 2.02 2.05 2bb5B1 GLN 79 HG2 -0.06 -0.23 -0.24 -0.04 2.40 1.84 2bb5B1 GLN 79 HG3 -0.08 -0.00 -0.13 -0.04 2.39 2.13 2bb5B1 GLN 79 HE21 -0.07 0.20 0.07 -0.04 6.97 7.13 2bb5B1 GLN 79 HE22 -0.07 -0.04 -0.03 -0.04 7.69 7.50 2bb5B1 GLY 80 H -0.05 -0.11 -0.11 -0.55 8.43 7.62 2bb5B1 GLY 80 HA2 -0.05 0.02 0.40 -0.51 4.01 3.88 2bb5B1 GLY 80 HA3 -0.06 0.16 0.69 -0.51 4.01 4.30 2bb5B1 LYS 81 H -0.10 0.02 -0.85 -0.55 8.42 6.93 2bb5B1 LYS 81 HA -0.15 0.04 0.20 -0.75 4.32 3.65 2bb5B1 LYS 81 HB2 -0.08 0.18 0.03 -0.04 1.87 1.96 2bb5B1 LYS 81 HB3 -0.11 0.11 -0.06 -0.04 1.79 1.70 2bb5B1 LYS 81 HG2 -0.10 0.06 -0.12 -0.04 1.46 1.26 2bb5B1 LYS 81 HG3 -0.07 -0.21 -0.32 -0.04 1.46 0.82 2bb5B1 LYS 81 HD2 -0.06 -0.04 -0.07 -0.04 1.69 1.48 2bb5B1 LYS 81 HD3 -0.08 0.07 -0.06 -0.04 1.68 1.56 2bb5B1 LYS 81 HE2 -0.07 0.23 0.00 -0.04 2.99 3.12 2bb5B1 LYS 81 HE3 -0.06 -0.15 -0.05 -0.04 2.99 2.69 2bb5B1 PRO 82 HA -0.21 0.02 0.56 -0.51 4.44 4.29 2bb5B1 PRO 82 HB2 -0.29 0.04 -0.04 -0.04 2.28 1.94 2bb5B1 PRO 82 HB3 -0.58 -0.02 0.03 -0.04 2.02 1.41 2bb5B1 PRO 82 HG2 -0.85 0.07 0.03 -0.04 2.03 1.24 2bb5B1 PRO 82 HG3 -0.86 0.07 -0.01 -0.04 2.03 1.19 2bb5B1 PRO 82 HD2 -0.26 0.13 0.09 -0.04 3.68 3.60 2bb5B1 PRO 82 HD3 -0.29 0.07 0.04 -0.04 3.65 3.43 2bb5B1 SER 83 H -0.09 0.06 0.16 -0.55 8.46 8.04 2bb5B1 SER 83 HA -0.10 0.23 0.54 -0.75 4.49 4.41 2bb5B1 SER 83 HB2 -0.09 0.02 0.16 -0.04 3.95 4.00 2bb5B1 SER 83 HB3 -0.06 0.18 0.16 -0.04 3.93 4.16 2bb5B1 MET 84 H -0.25 0.22 0.16 -0.55 8.47 8.05 2bb5B1 MET 84 HA -0.21 0.18 0.47 -0.75 4.52 4.21 2bb5B1 MET 84 HB2 -0.89 -0.02 0.16 -0.04 2.15 1.35 2bb5B1 MET 84 HB3 -1.23 0.02 -0.02 -0.04 2.03 0.75 2bb5B1 MET 84 HG2 0.00 0.01 0.04 -0.04 2.63 2.65 2bb5B1 MET 84 HG3 -0.11 0.04 -0.01 -0.04 2.56 2.44 2bb5B1 MET 84 HE3 0.07 0.02 0.01 -0.04 2.10 2.16 2bb5B1 GLY 85 H -0.35 0.08 -0.13 -0.55 8.43 7.48 2bb5B1 GLY 85 HA2 -0.10 0.13 0.44 -0.51 4.01 3.97 2bb5B1 GLY 85 HA3 -0.06 0.03 0.23 -0.51 4.01 3.69 2bb5B1 GLN 86 H -0.06 0.04 -0.38 -0.55 8.47 7.53 2bb5B1 GLN 86 HA 0.06 0.04 0.48 -0.75 4.36 4.18 2bb5B1 GLN 86 HB2 0.00 0.07 0.14 -0.04 2.15 2.32 2bb5B1 GLN 86 HB3 0.22 0.08 -0.01 -0.04 2.02 2.27 2bb5B1 GLN 86 HG2 0.06 0.03 0.06 -0.04 2.40 2.51 2bb5B1 GLN 86 HG3 0.00 -0.07 0.01 -0.04 2.39 2.29 2bb5B1 GLN 86 HE21 -0.05 0.17 0.06 -0.04 6.97 7.11 2bb5B1 GLN 86 HE22 -0.04 -0.05 0.05 -0.04 7.69 7.61 2bb5B1 LEU 87 H 0.01 0.53 -0.15 -0.55 8.37 8.22 2bb5B1 LEU 87 HA 0.20 0.03 0.39 -0.75 4.35 4.22 2bb5B1 LEU 87 HB2 0.02 0.05 0.03 -0.04 1.64 1.70 2bb5B1 LEU 87 HB3 -0.04 0.06 0.15 -0.04 1.64 1.77 2bb5B1 LEU 87 HG 0.03 0.01 -0.33 -0.04 1.64 1.30 2bb5B1 LEU 87 HD13 0.08 -0.01 -0.04 -0.04 0.93 0.92 2bb5B1 LEU 87 HD23 -0.01 0.02 -0.03 -0.04 0.89 0.83 2bb5B1 ALA 88 H -0.02 0.40 -0.33 -0.55 8.40 7.90 2bb5B1 ALA 88 HA -0.01 0.05 0.39 -0.75 4.34 4.02 2bb5B1 ALA 88 HB3 -0.02 0.09 0.01 -0.04 1.41 1.46 2bb5B1 LEU 89 H 0.01 0.28 -0.27 -0.55 8.37 7.83 2bb5B1 LEU 89 HA -0.08 0.09 0.39 -0.75 4.35 3.99 2bb5B1 LEU 89 HB2 0.01 0.10 0.14 -0.04 1.64 1.85 2bb5B1 LEU 89 HB3 -0.03 -0.09 -0.11 -0.04 1.64 1.37 2bb5B1 LEU 89 HG 0.01 0.04 -0.01 -0.04 1.64 1.63 2bb5B1 LEU 89 HD13 0.05 -0.04 -0.04 -0.04 0.93 0.85 2bb5B1 LEU 89 HD23 -0.09 0.01 -0.06 -0.04 0.89 0.71 2bb5B1 TYR 90 H 0.01 0.48 -0.13 -0.55 8.29 8.11 2bb5B1 TYR 90 HA -0.30 -0.04 0.45 -0.75 4.56 3.91 2bb5B1 TYR 90 HB2 -1.01 -0.05 0.07 -0.04 3.06 2.03 2bb5B1 TYR 90 HB3 -0.25 0.17 0.14 -0.04 2.98 3.01 2bb5B1 TYR 90 HD2 -0.34 0.01 -0.11 -0.04 7.15 6.67 2bb5B1 TYR 90 HE2 -0.13 -0.03 -0.26 -0.04 6.85 6.39 2bb5B1 LEU 91 H -0.03 0.43 -0.41 -0.55 8.37 7.82 2bb5B1 LEU 91 HA -0.25 -0.00 0.46 -0.75 4.35 3.80 2bb5B1 LEU 91 HB2 -0.04 0.21 0.18 -0.04 1.64 1.95 2bb5B1 LEU 91 HB3 0.06 0.07 -0.05 -0.04 1.64 1.67 2bb5B1 LEU 91 HG -0.68 -0.04 0.00 -0.04 1.64 0.88 2bb5B1 LEU 91 HD13 -0.00 -0.00 -0.11 -0.04 0.93 0.77 2bb5B1 LEU 91 HD23 -0.13 -0.00 -0.13 -0.04 0.89 0.59 2bb5B1 LEU 92 H -0.09 0.28 -0.14 -0.55 8.37 7.87 2bb5B1 LEU 92 HA -0.10 0.13 0.48 -0.75 4.35 4.11 2bb5B1 LEU 92 HB2 -0.19 0.04 0.01 -0.04 1.64 1.46 2bb5B1 LEU 92 HB3 -0.23 0.02 0.06 -0.04 1.64 1.45 2bb5B1 LEU 92 HG -0.18 -0.07 0.06 -0.04 1.64 1.41 2bb5B1 LEU 92 HD13 -0.54 -0.01 -0.05 -0.04 0.93 0.29 2bb5B1 LEU 92 HD23 -0.10 0.01 -0.05 -0.04 0.89 0.71 2bb5B1 ALA 93 H -0.15 0.34 -0.30 -0.55 8.40 7.74 2bb5B1 ALA 93 HA 0.09 0.03 0.42 -0.75 4.34 4.12 2bb5B1 ALA 93 HB3 -0.21 0.03 0.11 -0.04 1.41 1.29 2bb5B1 LEU 94 H -0.33 0.47 -0.14 -0.55 8.37 7.82 2bb5B1 LEU 94 HA -0.19 -0.03 0.34 -0.75 4.35 3.71 2bb5B1 LEU 94 HB2 -0.09 0.19 0.15 -0.04 1.64 1.84 2bb5B1 LEU 94 HB3 -0.05 0.05 -0.17 -0.04 1.64 1.43 2bb5B1 LEU 94 HG -0.83 0.04 -0.02 -0.04 1.64 0.80 2bb5B1 LEU 94 HD13 -0.24 -0.03 -0.12 -0.04 0.93 0.50 2bb5B1 LEU 94 HD23 -0.15 -0.02 -0.09 -0.04 0.89 0.60 2bb5B1 ARG 95 H -0.12 0.42 -0.18 -0.55 8.46 8.03 2bb5B1 ARG 95 HA -0.31 0.01 0.46 -0.75 4.34 3.76 2bb5B1 ARG 95 HB2 -0.15 0.04 0.17 -0.04 1.90 1.92 2bb5B1 ARG 95 HB3 -0.22 0.13 0.11 -0.04 1.80 1.79 2bb5B1 ARG 95 HG2 -0.34 0.11 0.09 -0.04 1.67 1.48 2bb5B1 ARG 95 HG3 -0.31 -0.05 0.01 -0.04 1.67 1.28 2bb5B1 ARG 95 HD2 -0.73 0.11 0.07 -0.04 3.22 2.64 2bb5B1 ARG 95 HD3 -1.24 -0.11 -0.03 -0.04 3.22 1.79 2bb5B1 ALA 96 H -0.03 0.39 -0.37 -0.55 8.40 7.85 2bb5B1 ALA 96 HA -0.01 0.04 0.34 -0.75 4.34 3.96 2bb5B1 ALA 96 HB3 0.11 0.03 0.07 -0.04 1.41 1.58 2bb5B1 ASN 97 H 0.02 0.42 -0.53 -0.55 8.53 7.90 2bb5B1 ASN 97 HA 0.06 0.15 0.79 -0.75 4.76 4.99 2bb5B1 ASN 97 HB2 0.20 -0.08 -0.03 -0.04 2.88 2.93 2bb5B1 ASN 97 HB3 0.01 0.06 0.04 -0.04 2.79 2.87 2bb5B1 ASN 97 HD21 0.04 -0.07 0.00 -0.04 7.03 6.96 2bb5B1 ASN 97 HD22 0.01 -0.03 -0.02 -0.04 7.74 7.66 2bb5B1 CYS 98 H -0.07 0.67 -0.33 -0.55 8.50 8.22 2bb5B1 CYS 98 HA -0.16 0.13 0.34 -0.75 4.58 4.14 2bb5B1 CYS 98 HB2 -0.02 0.10 0.01 -0.04 2.97 3.02 2bb5B1 CYS 98 HB3 -0.04 -0.07 0.17 -0.04 2.97 2.99 2bb5B1 GLU 99 H -0.23 0.29 -0.07 -0.55 8.60 8.04 2bb5B1 GLU 99 HA -0.10 0.11 0.88 -0.75 4.29 4.42 2bb5B1 GLU 99 HB2 -0.08 0.10 -0.13 -0.04 2.09 1.94 2bb5B1 GLU 99 HB3 -0.02 -0.05 -0.16 -0.04 1.99 1.71 2bb5B1 GLU 99 HG2 -0.00 -0.03 -0.04 -0.04 2.34 2.22 2bb5B1 GLU 99 HG3 -0.03 0.27 -0.44 -0.04 2.34 2.11 2bb5B1 PHE 100 H 0.12 0.14 0.10 -0.55 8.34 8.15 2bb5B1 PHE 100 HA 0.15 0.21 0.85 -0.75 4.62 5.08 2bb5B1 PHE 100 HB2 0.05 -0.07 0.01 -0.04 3.15 3.10 2bb5B1 PHE 100 HB3 0.12 0.05 0.03 -0.04 3.06 3.21 2bb5B1 PHE 100 HD2 -0.01 -0.06 0.02 -0.04 7.28 7.19 2bb5B1 PHE 100 HE2 -0.04 0.06 -0.04 -0.04 7.38 7.33 2bb5B1 PHE 100 HZ -0.01 0.05 -0.02 -0.04 7.32 7.30 2bb5B1 VAL 101 H 0.43 0.18 0.08 -0.55 8.24 8.39 2bb5B1 VAL 101 HA 0.05 -0.00 0.40 -0.75 4.13 3.83 2bb5B1 VAL 101 HB -0.00 -0.12 -0.01 -0.04 2.12 1.95 2bb5B1 VAL 101 HG13 -0.26 0.01 0.03 -0.04 0.97 0.71 2bb5B1 VAL 101 HG23 0.05 0.02 0.08 -0.04 0.95 1.05 2bb5B1 ARG 102 H 0.07 0.13 0.22 -0.55 8.46 8.33 2bb5B1 ARG 102 HA 0.07 0.19 0.88 -0.75 4.34 4.73 2bb5B1 ARG 102 HB2 0.06 -0.01 0.14 -0.04 1.90 2.06 2bb5B1 ARG 102 HB3 0.06 -0.06 -0.00 -0.04 1.80 1.75 2bb5B1 ARG 102 HG2 0.09 -0.05 -0.02 -0.04 1.67 1.65 2bb5B1 ARG 102 HG3 0.12 0.32 -0.19 -0.04 1.67 1.88 2bb5B1 ARG 102 HD2 0.06 -0.05 0.03 -0.04 3.22 3.22 2bb5B1 ARG 102 HD3 0.07 -0.05 0.01 -0.04 3.22 3.22 2bb5B1 GLY 103 H 0.05 0.22 0.18 -0.55 8.43 8.33 2bb5B1 GLY 103 HA2 0.11 0.10 0.35 -0.51 4.01 4.05 2bb5B1 GLY 103 HA3 0.09 0.11 0.63 -0.51 4.01 4.33 2bb5B1 HIS 104 H 0.32 0.19 0.19 -0.55 8.41 8.56 2bb5B1 HIS 104 HA -0.00 0.14 0.56 -0.75 4.63 4.57 2bb5B1 HIS 104 HB2 -0.01 -0.02 0.17 -0.04 3.26 3.36 2bb5B1 HIS 104 HB3 -0.02 0.05 0.01 -0.04 3.20 3.20 2bb5B1 HIS 104 HD2 -0.02 0.02 0.02 -0.04 6.97 6.95 2bb5B1 HIS 104 HE1 0.00 0.04 0.01 -0.04 7.75 7.76 2bb5B1 LYS 105 H 0.09 0.13 0.04 -0.55 8.42 8.13 2bb5B1 LYS 105 HA 0.02 0.06 0.37 -0.75 4.32 4.02 2bb5B1 LYS 105 HB2 0.03 0.11 0.00 -0.04 1.87 1.97 2bb5B1 LYS 105 HB3 0.01 0.08 0.05 -0.04 1.79 1.89 2bb5B1 LYS 105 HG2 -0.00 0.06 0.03 -0.04 1.46 1.51 2bb5B1 LYS 105 HG3 0.03 -0.17 0.13 -0.04 1.46 1.41 2bb5B1 LYS 105 HD2 0.00 0.08 0.01 -0.04 1.69 1.74 2bb5B1 LYS 105 HD3 -0.00 0.00 0.03 -0.04 1.68 1.67 2bb5B1 LYS 105 HE2 0.03 -0.10 0.08 -0.04 2.99 2.96 2bb5B1 LYS 105 HE3 0.04 0.07 0.08 -0.04 2.99 3.13 2bb5B1 GLY 106 H 0.05 0.13 -0.79 -0.55 8.43 7.26 2bb5B1 GLY 106 HA2 0.02 0.04 0.38 -0.51 4.01 3.94 2bb5B1 GLY 106 HA3 0.03 0.13 -0.23 -0.51 4.01 3.43 2bb5B1 ASP 107 H 0.00 0.39 -0.14 -0.55 8.40 8.10 2bb5B1 ASP 107 HA -0.01 0.04 0.37 -0.75 4.63 4.28 2bb5B1 ASP 107 HB2 -0.06 0.05 0.23 -0.04 2.71 2.88 2bb5B1 ASP 107 HB3 -0.05 -0.04 0.02 -0.04 2.70 2.59 2bb5B1 ARG 108 H 0.00 0.64 -0.21 -0.55 8.46 8.34 2bb5B1 ARG 108 HA -0.02 0.02 0.46 -0.75 4.34 4.04 2bb5B1 ARG 108 HB2 -0.01 0.09 0.11 -0.04 1.90 2.05 2bb5B1 ARG 108 HB3 -0.03 0.01 -0.02 -0.04 1.80 1.72 2bb5B1 ARG 108 HG2 0.00 0.02 -0.05 -0.04 1.67 1.60 2bb5B1 ARG 108 HG3 0.01 -0.09 -0.15 -0.04 1.67 1.39 2bb5B1 ARG 108 HD2 -0.04 0.00 -0.00 -0.04 3.22 3.14 2bb5B1 ARG 108 HD3 -0.03 -0.03 -0.03 -0.04 3.22 3.08 2bb5B1 LEU 109 H -0.00 0.53 -0.13 -0.55 8.37 8.22 2bb5B1 LEU 109 HA -0.01 0.02 0.39 -0.75 4.35 4.00 2bb5B1 LEU 109 HB2 0.01 0.09 0.18 -0.04 1.64 1.88 2bb5B1 LEU 109 HB3 0.02 -0.05 -0.04 -0.04 1.64 1.52 2bb5B1 LEU 109 HG 0.00 0.19 0.09 -0.04 1.64 1.88 2bb5B1 LEU 109 HD13 0.07 -0.02 -0.07 -0.04 0.93 0.87 2bb5B1 LEU 109 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.77 2bb5B1 VAL 110 H -0.01 0.65 -0.05 -0.55 8.24 8.28 2bb5B1 VAL 110 HA -0.01 -0.00 0.41 -0.75 4.13 3.77 2bb5B1 VAL 110 HB -0.00 0.08 0.10 -0.04 2.12 2.25 2bb5B1 VAL 110 HG13 0.00 -0.01 -0.13 -0.04 0.97 0.79 2bb5B1 VAL 110 HG23 -0.04 0.04 0.02 -0.04 0.95 0.93 2bb5B1 SER 111 H 0.02 0.54 -0.28 -0.55 8.46 8.19 2bb5B1 SER 111 HA 0.09 -0.04 0.37 -0.75 4.49 4.17 2bb5B1 SER 111 HB2 0.02 0.24 0.21 -0.04 3.95 4.38 2bb5B1 SER 111 HB3 0.00 0.11 0.15 -0.04 3.93 4.15 2bb5B1 GLN 112 H 0.02 0.63 -0.14 -0.55 8.47 8.44 2bb5B1 GLN 112 HA 0.06 -0.02 0.46 -0.75 4.36 4.10 2bb5B1 GLN 112 HB2 0.01 0.19 0.25 -0.04 2.15 2.55 2bb5B1 GLN 112 HB3 0.02 -0.11 0.02 -0.04 2.02 1.90 2bb5B1 GLN 112 HG2 -0.07 -0.09 0.07 -0.04 2.40 2.26 2bb5B1 GLN 112 HG3 -0.04 0.17 0.03 -0.04 2.39 2.50 2bb5B1 GLN 112 HE21 -0.07 0.10 0.09 -0.04 6.97 7.06 2bb5B1 GLN 112 HE22 -0.09 -0.09 0.04 -0.04 7.69 7.51 2bb5B1 LEU 113 H 0.06 0.65 -0.08 -0.55 8.37 8.46 2bb5B1 LEU 113 HA 0.15 -0.07 0.47 -0.75 4.35 4.15 2bb5B1 LEU 113 HB2 0.03 0.05 0.07 -0.04 1.64 1.75 2bb5B1 LEU 113 HB3 0.04 0.14 0.08 -0.04 1.64 1.86 2bb5B1 LEU 113 HG 0.08 -0.06 -0.05 -0.04 1.64 1.58 2bb5B1 LEU 113 HD13 0.01 -0.04 0.03 -0.04 0.93 0.89 2bb5B1 LEU 113 HD23 -0.00 0.02 -0.02 -0.04 0.89 0.84 2bb5B1 LYS 114 H 0.11 0.63 -0.12 -0.55 8.42 8.49 2bb5B1 LYS 114 HA 0.04 -0.00 0.52 -0.75 4.32 4.12 2bb5B1 LYS 114 HB2 0.13 0.16 0.13 -0.04 1.87 2.24 2bb5B1 LYS 114 HB3 0.05 -0.10 0.03 -0.04 1.79 1.73 2bb5B1 LYS 114 HG2 0.01 -0.05 -0.03 -0.04 1.46 1.34 2bb5B1 LYS 114 HG3 0.03 0.11 -0.01 -0.04 1.46 1.56 2bb5B1 LYS 114 HD2 0.03 -0.00 -0.17 -0.04 1.69 1.50 2bb5B1 LYS 114 HD3 0.06 -0.03 -0.04 -0.04 1.68 1.62 2bb5B1 LYS 114 HE2 -0.00 0.09 -0.08 -0.04 2.99 2.96 2bb5B1 LYS 114 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.92 2bb5B1 TRP 115 H 0.35 0.47 -0.28 -0.55 7.97 7.97 2bb5B1 TRP 115 HA 0.03 0.02 0.52 -0.75 4.62 4.43 2bb5B1 TRP 115 HB2 0.04 0.22 0.23 -0.04 3.23 3.68 2bb5B1 TRP 115 HB3 0.06 -0.03 0.00 -0.04 3.23 3.22 2bb5B1 TRP 115 HD1 0.01 0.08 0.00 -0.04 7.22 7.28 2bb5B1 TRP 115 HE1 0.00 -0.01 -0.01 -0.04 10.20 10.15 2bb5B1 TRP 115 HE3 0.04 -0.02 -0.03 -0.04 7.59 7.53 2bb5B1 TRP 115 HZ2 0.01 0.00 -0.01 -0.04 7.44 7.40 2bb5B1 TRP 115 HZ3 0.02 -0.00 -0.01 -0.04 7.13 7.10 2bb5B1 TRP 115 HH2 0.01 0.01 -0.01 -0.04 7.19 7.16 2bb5B1 PHE 116 H 0.37 0.49 -0.05 -0.55 8.34 8.60 2bb5B1 PHE 116 HA 0.14 0.03 0.48 -0.75 4.62 4.52 2bb5B1 PHE 116 HB2 0.09 0.04 0.14 -0.04 3.15 3.37 2bb5B1 PHE 116 HB3 0.06 0.19 0.20 -0.04 3.06 3.46 2bb5B1 PHE 116 HD2 0.05 0.10 -0.02 -0.04 7.28 7.37 2bb5B1 PHE 116 HE2 0.06 0.03 -0.13 -0.04 7.38 7.30 2bb5B1 PHE 116 HZ 0.08 -0.10 -0.08 -0.04 7.32 7.18 2bb5B1 LEU 117 H 0.08 0.52 -0.16 -0.55 8.37 8.26 2bb5B1 LEU 117 HA -0.40 -0.03 0.42 -0.75 4.35 3.59 2bb5B1 LEU 117 HB2 -0.10 0.17 0.08 -0.04 1.64 1.75 2bb5B1 LEU 117 HB3 -0.28 -0.04 -0.02 -0.04 1.64 1.26 2bb5B1 LEU 117 HG 0.04 0.12 0.04 -0.04 1.64 1.80 2bb5B1 LEU 117 HD13 -0.15 -0.01 -0.19 -0.04 0.93 0.54 2bb5B1 LEU 117 HD23 -0.48 -0.04 0.04 -0.04 0.89 0.36 2bb5B1 GLU 118 H -0.10 0.37 -0.39 -0.55 8.60 7.93 2bb5B1 GLU 118 HA -0.12 0.01 0.48 -0.75 4.29 3.90 2bb5B1 GLU 118 HB2 -0.26 0.18 0.18 -0.04 2.09 2.15 2bb5B1 GLU 118 HB3 -0.47 0.12 0.13 -0.04 1.99 1.73 2bb5B1 GLU 118 HG2 -0.46 0.01 0.01 -0.04 2.34 1.86 2bb5B1 GLU 118 HG3 -0.29 -0.03 -0.01 -0.04 2.34 1.97 2bb5B1 ASP 119 H -0.10 0.60 -0.05 -0.55 8.40 8.30 2bb5B1 ASP 119 HA -0.07 0.06 0.57 -0.75 4.63 4.44 2bb5B1 ASP 119 HB2 0.05 0.09 0.20 -0.04 2.71 3.01 2bb5B1 ASP 119 HB3 0.12 -0.04 0.07 -0.04 2.70 2.80 2bb5B1 GLU 120 H -0.22 0.54 -0.12 -0.55 8.60 8.26 2bb5B1 GLU 120 HA -0.25 -0.02 0.53 -0.75 4.29 3.79 2bb5B1 GLU 120 HB2 -0.14 0.14 0.10 -0.04 2.09 2.15 2bb5B1 GLU 120 HB3 -0.19 -0.08 0.09 -0.04 1.99 1.77 2bb5B1 GLU 120 HG2 -0.74 0.30 0.07 -0.04 2.34 1.93 2bb5B1 GLU 120 HG3 -0.81 -0.09 -0.03 -0.04 2.34 1.37 2bb5B1 LYS 121 H -0.08 0.25 -0.59 -0.55 8.42 7.44 2bb5B1 LYS 121 HA -0.10 0.11 0.65 -0.75 4.32 4.22 2bb5B1 LYS 121 HB2 0.04 0.07 0.10 -0.04 1.87 2.04 2bb5B1 LYS 121 HB3 -0.06 0.14 0.11 -0.04 1.79 1.94 2bb5B1 LYS 121 HG2 -0.04 -0.04 -0.07 -0.04 1.46 1.27 2bb5B1 LYS 121 HG3 0.01 0.05 0.03 -0.04 1.46 1.51 2bb5B1 LYS 121 HD2 -0.00 0.00 -0.34 -0.04 1.69 1.31 2bb5B1 LYS 121 HD3 0.00 -0.09 -0.26 -0.04 1.68 1.30 2bb5B1 LYS 121 HE2 -0.06 0.13 -0.05 -0.04 2.99 2.97 2bb5B1 LYS 121 HE3 -0.03 -0.01 -0.10 -0.04 2.99 2.81 2bb5B1 ARG 122 H -0.10 0.33 -0.09 -0.55 8.46 8.05 2bb5B1 ARG 122 HA -0.08 0.02 0.57 -0.75 4.34 4.09 2bb5B1 ARG 122 HB2 -0.05 0.10 0.15 -0.04 1.90 2.06 2bb5B1 ARG 122 HB3 -0.05 -0.02 0.06 -0.04 1.80 1.75 2bb5B1 ARG 122 HG2 -0.11 0.17 0.16 -0.04 1.67 1.85 2bb5B1 ARG 122 HG3 -0.10 -0.05 0.07 -0.04 1.67 1.55 2bb5B1 ARG 122 HD2 -0.07 -0.01 0.02 -0.04 3.22 3.12 2bb5B1 ARG 122 HD3 -0.06 -0.01 0.04 -0.04 3.22 3.14 2bb5B1 ALA 123 H -0.17 0.43 -0.10 -0.55 8.40 8.02 2bb5B1 ALA 123 HA -0.18 0.01 0.33 -0.75 4.34 3.74 2bb5B1 ALA 123 HB3 -0.63 0.03 0.09 -0.04 1.41 0.85 2bb5B1 ILE 124 H -0.23 0.10 -0.63 -0.55 8.25 6.94 2bb5B1 ILE 124 HA -0.23 0.01 0.05 -0.75 4.18 3.25 2bb5B1 ILE 124 HB -0.21 0.02 -0.04 -0.04 1.89 1.62 2bb5B1 ILE 124 HG12 -0.30 -0.02 -0.30 -0.04 1.49 0.82 2bb5B1 ILE 124 HG13 -0.36 0.11 -0.13 -0.04 1.21 0.79 2bb5B1 ILE 124 HG23 -0.17 0.07 -0.29 -0.04 0.93 0.50 2bb5B1 ILE 124 HD13 -0.46 -0.06 -0.06 -0.04 0.88 0.26 2bb5B1 GLY 125 H -0.17 0.17 -0.29 -0.55 8.43 7.60 2bb5B1 GLY 125 HA2 -0.11 -0.16 0.40 -0.51 4.01 3.63 2bb5B1 GLY 125 HA3 -0.20 0.09 0.42 -0.51 4.01 3.81 2bb5B1 HIS 126 H -0.04 0.00 0.10 -0.55 8.41 7.93 2bb5B1 HIS 126 HA -0.07 -0.04 0.27 -0.75 4.63 4.04 2bb5B1 HIS 126 HB2 -0.07 -0.17 0.21 -0.04 3.26 3.19 2bb5B1 HIS 126 HB3 -0.05 -0.03 0.07 -0.04 3.20 3.14 2bb5B1 HIS 126 HD2 -0.05 -0.20 0.03 -0.04 6.97 6.71 2bb5B1 HIS 126 HE1 -0.02 -0.07 0.01 -0.04 7.75 7.62 2bb5B1 ASP 127 H 0.11 0.07 0.09 -0.55 8.40 8.13 2bb5B1 ASP 127 HA -0.28 0.20 0.62 -0.75 4.63 4.41 2bb5B1 ASP 127 HB2 -0.18 -0.05 0.09 -0.04 2.71 2.52 2bb5B1 ASP 127 HB3 -0.89 0.02 0.16 -0.04 2.70 1.95 2bb5B1 HIS 128 H -0.22 0.44 -0.37 -0.55 8.41 7.71 2bb5B1 HIS 128 HA -0.06 0.03 0.56 -0.75 4.63 4.40 2bb5B1 HIS 128 HB2 -0.01 -0.04 -0.35 -0.04 3.26 2.82 2bb5B1 HIS 128 HB3 0.15 0.01 -0.07 -0.04 3.20 3.24 2bb5B1 HIS 128 HD2 0.04 0.02 -0.08 -0.04 6.97 6.90 2bb5B1 HIS 128 HE1 0.08 -0.01 0.03 -0.04 7.75 7.81 2bb5B1 LYS 129 H -0.57 0.02 0.09 -0.55 8.42 7.40 2bb5B1 LYS 129 HA -0.33 -0.15 0.43 -0.75 4.32 3.52 2bb5B1 LYS 129 HB2 0.03 0.02 -0.24 -0.04 1.87 1.63 2bb5B1 LYS 129 HB3 -0.08 0.03 0.07 -0.04 1.79 1.77 2bb5B1 LYS 129 HG2 -0.12 -0.02 0.03 -0.04 1.46 1.32 2bb5B1 LYS 129 HG3 -0.26 -0.04 0.06 -0.04 1.46 1.17 2bb5B1 LYS 129 HD2 0.11 0.03 -0.04 -0.04 1.69 1.75 2bb5B1 LYS 129 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.64 2bb5B1 LYS 129 HE2 0.26 -0.01 -0.00 -0.04 2.99 3.20 2bb5B1 LYS 129 HE3 0.23 -0.00 -0.02 -0.04 2.99 3.15 2bb5B1 GLY 130 H -0.44 -0.06 0.04 -0.55 8.43 7.42 2bb5B1 GLY 130 HA2 -0.25 -0.13 0.44 -0.51 4.01 3.56 2bb5B1 GLY 130 HA3 -0.23 0.55 0.77 -0.51 4.01 4.59 2bb5B1 HIS 131 H -0.08 0.14 0.12 -0.55 8.41 8.05 2bb5B1 HIS 131 HA -0.12 0.14 0.78 -0.75 4.63 4.67 2bb5B1 HIS 131 HB2 -0.20 0.05 -0.02 -0.04 3.26 3.05 2bb5B1 HIS 131 HB3 -0.20 -0.01 0.07 -0.04 3.20 3.01 2bb5B1 HIS 131 HD2 -0.15 -0.03 -0.02 -0.04 6.97 6.72 2bb5B1 HIS 131 HE1 -0.15 0.01 -0.00 -0.04 7.75 7.56 2bb5B1 PRO 132 HA -0.38 0.13 0.55 -0.51 4.44 4.23 2bb5B1 PRO 132 HB2 -0.20 -0.24 -0.19 -0.04 2.28 1.61 2bb5B1 PRO 132 HB3 -0.51 0.12 0.01 -0.04 2.02 1.60 2bb5B1 PRO 132 HG2 -0.23 0.02 -0.14 -0.04 2.03 1.63 2bb5B1 PRO 132 HG3 -0.92 -0.06 -0.09 -0.04 2.03 0.91 2bb5B1 PRO 132 HD2 -0.18 0.08 0.19 -0.04 3.68 3.73 2bb5B1 PRO 132 HD3 -0.77 0.24 0.06 -0.04 3.65 3.14 2bb5B1 HIS 133 H -0.29 0.09 0.09 -0.55 8.41 7.76 2bb5B1 HIS 133 HA -0.02 0.18 0.45 -0.75 4.63 4.49 2bb5B1 HIS 133 HB2 0.05 -0.11 0.06 -0.04 3.26 3.23 2bb5B1 HIS 133 HB3 0.05 0.04 0.04 -0.04 3.20 3.29 2bb5B1 HIS 133 HD2 -0.02 0.04 -0.03 -0.04 6.97 6.92 2bb5B1 HIS 133 HE1 -0.01 0.03 -0.01 -0.04 7.75 7.71 2bb5B1 THR 134 H 0.10 -0.07 -0.18 -0.55 8.28 7.58 2bb5B1 THR 134 HA 0.17 0.26 0.77 -0.75 4.39 4.84 2bb5B1 THR 134 HB 0.21 -0.01 0.07 -0.04 4.32 4.54 2bb5B1 THR 134 HG23 0.31 0.00 -0.02 -0.04 1.22 1.47 2bb5B1 SER 135 H 0.13 0.14 0.11 -0.55 8.46 8.30 2bb5B1 SER 135 HA 0.08 0.23 0.41 -0.75 4.49 4.46 2bb5B1 SER 135 HB2 0.23 -0.03 0.10 -0.04 3.95 4.20 2bb5B1 SER 135 HB3 0.21 0.38 -0.01 -0.04 3.93 4.47 2bb5B1 TYR 136 H 0.20 0.31 0.14 -0.55 8.29 8.39 2bb5B1 TYR 136 HA 0.07 0.08 0.42 -0.75 4.56 4.37 2bb5B1 TYR 136 HB2 0.12 -0.00 0.09 -0.04 3.06 3.22 2bb5B1 TYR 136 HB3 0.07 0.09 0.05 -0.04 2.98 3.14 2bb5B1 TYR 136 HD2 -0.07 -0.06 0.03 -0.04 7.15 7.01 2bb5B1 TYR 136 HE2 -0.11 0.07 -0.04 -0.04 6.85 6.73 2bb5B1 TYR 137 H 0.34 0.03 -0.51 -0.55 8.29 7.60 2bb5B1 TYR 137 HA 0.13 0.18 0.52 -0.75 4.56 4.63 2bb5B1 TYR 137 HB2 0.12 0.03 0.02 -0.04 3.06 3.19 2bb5B1 TYR 137 HB3 0.10 -0.05 0.01 -0.04 2.98 2.99 2bb5B1 TYR 137 HD2 0.07 -0.04 -0.36 -0.04 7.15 6.78 2bb5B1 TYR 137 HE2 0.06 0.03 -0.13 -0.04 6.85 6.77 2bb5B1 GLN 138 H 0.32 0.16 -0.05 -0.55 8.47 8.35 2bb5B1 GLN 138 HA 0.21 0.12 0.50 -0.75 4.36 4.44 2bb5B1 GLN 138 HB2 0.30 0.02 0.15 -0.04 2.15 2.57 2bb5B1 GLN 138 HB3 0.32 -0.00 -0.02 -0.04 2.02 2.28 2bb5B1 GLN 138 HG2 0.14 0.01 0.03 -0.04 2.40 2.54 2bb5B1 GLN 138 HG3 0.24 0.01 -0.01 -0.04 2.39 2.58 2bb5B1 GLN 138 HE21 0.06 0.09 -0.02 -0.04 6.97 7.06 2bb5B1 GLN 138 HE22 0.08 0.02 -0.05 -0.04 7.69 7.70 2bb5B1 TYR 139 H 0.28 0.43 -0.16 -0.55 8.29 8.28 2bb5B1 TYR 139 HA 0.04 0.02 0.39 -0.75 4.56 4.26 2bb5B1 TYR 139 HB2 -0.08 -0.03 0.03 -0.04 3.06 2.94 2bb5B1 TYR 139 HB3 0.05 0.16 0.09 -0.04 2.98 3.24 2bb5B1 TYR 139 HD2 -0.11 -0.03 -0.11 -0.04 7.15 6.86 2bb5B1 TYR 139 HE2 -0.09 0.04 -0.09 -0.04 6.85 6.67 2bb5B1 GLY 140 H 0.14 0.55 -0.23 -0.55 8.43 8.35 2bb5B1 GLY 140 HA2 -0.10 0.04 0.45 -0.51 4.01 3.89 2bb5B1 GLY 140 HA3 -0.09 0.10 0.22 -0.51 4.01 3.72 2bb5B1 LEU 141 H -0.06 0.32 -0.33 -0.55 8.37 7.75 2bb5B1 LEU 141 HA -0.11 0.09 0.48 -0.75 4.35 4.06 2bb5B1 LEU 141 HB2 -0.19 0.04 0.06 -0.04 1.64 1.51 2bb5B1 LEU 141 HB3 0.01 -0.02 0.15 -0.04 1.64 1.73 2bb5B1 LEU 141 HG -0.02 -0.02 -0.15 -0.04 1.64 1.40 2bb5B1 LEU 141 HD13 -0.08 0.01 -0.04 -0.04 0.93 0.77 2bb5B1 LEU 141 HD23 0.09 -0.03 -0.04 -0.04 0.89 0.87 2bb5B1 GLY 142 H 0.01 0.57 -0.17 -0.55 8.43 8.30 2bb5B1 GLY 142 HA2 0.02 0.02 0.51 -0.51 4.01 4.04 2bb5B1 GLY 142 HA3 0.04 0.02 0.29 -0.51 4.01 3.86 2bb5B1 ILE 143 H -0.17 0.47 -0.09 -0.55 8.25 7.91 2bb5B1 ILE 143 HA -0.13 0.01 0.37 -0.75 4.18 3.67 2bb5B1 ILE 143 HB -0.18 0.10 0.11 -0.04 1.89 1.88 2bb5B1 ILE 143 HG12 -0.20 -0.07 -0.05 -0.04 1.49 1.13 2bb5B1 ILE 143 HG13 -0.39 0.07 0.04 -0.04 1.21 0.90 2bb5B1 ILE 143 HG23 -0.11 -0.00 -0.18 -0.04 0.93 0.60 2bb5B1 ILE 143 HD13 -0.15 -0.00 -0.13 -0.04 0.88 0.55 2bb5B1 LEU 144 H -0.11 0.48 -0.23 -0.55 8.37 7.97 2bb5B1 LEU 144 HA -0.07 0.04 0.34 -0.75 4.35 3.91 2bb5B1 LEU 144 HB2 -0.08 -0.03 0.06 -0.04 1.64 1.55 2bb5B1 LEU 144 HB3 -0.08 0.00 0.13 -0.04 1.64 1.65 2bb5B1 LEU 144 HG -0.05 0.05 -0.38 -0.04 1.64 1.22 2bb5B1 LEU 144 HD13 -0.00 0.01 -0.16 -0.04 0.93 0.74 2bb5B1 LEU 144 HD23 0.00 -0.02 -0.10 -0.04 0.89 0.73 2bb5B1 ALA 145 H -0.05 0.44 -0.35 -0.55 8.40 7.89 2bb5B1 ALA 145 HA -0.01 0.04 0.31 -0.75 4.34 3.93 2bb5B1 ALA 145 HB3 -0.02 0.02 0.16 -0.04 1.41 1.53 2bb5B1 LEU 146 H -0.04 0.46 -0.09 -0.55 8.37 8.15 2bb5B1 LEU 146 HA 0.01 -0.01 0.29 -0.75 4.35 3.88 2bb5B1 LEU 146 HB2 -0.09 0.06 0.03 -0.04 1.64 1.60 2bb5B1 LEU 146 HB3 -0.07 0.02 -0.08 -0.04 1.64 1.47 2bb5B1 LEU 146 HG -0.02 0.04 0.02 -0.04 1.64 1.63 2bb5B1 LEU 146 HD13 -0.03 -0.03 -0.22 -0.04 0.93 0.62 2bb5B1 LEU 146 HD23 -0.02 -0.01 -0.03 -0.04 0.89 0.79 2bb5B1 CYS 147 H -0.11 0.45 -0.28 -0.55 8.50 8.01 2bb5B1 CYS 147 HA -0.45 0.03 0.41 -0.75 4.58 3.82 2bb5B1 CYS 147 HB2 -0.17 -0.06 0.05 -0.04 2.97 2.76 2bb5B1 CYS 147 HB3 -0.08 0.16 0.09 -0.04 2.97 3.10 2bb5B1 LEU 148 H -0.02 0.46 -0.30 -0.55 8.37 7.97 2bb5B1 LEU 148 HA -0.04 0.08 0.52 -0.75 4.35 4.16 2bb5B1 LEU 148 HB2 -0.03 0.11 0.11 -0.04 1.64 1.79 2bb5B1 LEU 148 HB3 -0.15 0.05 0.04 -0.04 1.64 1.55 2bb5B1 LEU 148 HG -0.04 0.10 -0.02 -0.04 1.64 1.64 2bb5B1 LEU 148 HD13 -0.07 -0.04 -0.08 -0.04 0.93 0.71 2bb5B1 LEU 148 HD23 -0.06 0.01 -0.19 -0.04 0.89 0.60 2bb5B1 HIS 149 H 0.12 0.28 -0.36 -0.55 8.41 7.89 2bb5B1 HIS 149 HA 0.38 0.21 0.83 -0.75 4.63 5.30 2bb5B1 HIS 149 HB2 0.03 0.02 0.10 -0.04 3.26 3.37 2bb5B1 HIS 149 HB3 0.11 -0.10 0.18 -0.04 3.20 3.35 2bb5B1 HIS 149 HD2 -0.05 0.12 -0.12 -0.04 6.97 6.87 2bb5B1 HIS 149 HE1 -0.10 -0.00 -0.05 -0.04 7.75 7.56 2bb5B1 GLN 150 H 0.09 0.31 -0.52 -0.55 8.47 7.80 2bb5B1 GLN 150 HA 0.20 0.07 0.25 -0.75 4.36 4.13 2bb5B1 GLN 150 HB2 -0.08 0.08 -0.03 -0.04 2.15 2.08 2bb5B1 GLN 150 HB3 0.13 -0.08 0.16 -0.04 2.02 2.18 2bb5B1 GLN 150 HG2 0.18 0.07 -0.24 -0.04 2.40 2.37 2bb5B1 GLN 150 HG3 -0.04 -0.05 -0.05 -0.04 2.39 2.20 2bb5B1 GLN 150 HE21 0.11 -0.02 0.01 -0.04 6.97 7.03 2bb5B1 GLN 150 HE22 0.13 0.10 0.00 -0.04 7.69 7.88 2bb5B1 LYS 151 H -0.14 0.62 -0.09 -0.55 8.42 8.25 2bb5B1 LYS 151 HA -0.02 0.09 0.81 -0.75 4.32 4.44 2bb5B1 LYS 151 HB2 -0.05 -0.06 0.01 -0.04 1.87 1.73 2bb5B1 LYS 151 HB3 -0.03 -0.06 -0.03 -0.04 1.79 1.63 2bb5B1 LYS 151 HG2 0.06 0.25 -0.43 -0.04 1.46 1.30 2bb5B1 LYS 151 HG3 0.02 -0.14 -0.06 -0.04 1.46 1.24 2bb5B1 LYS 151 HD2 0.01 -0.12 -0.01 -0.04 1.69 1.52 2bb5B1 LYS 151 HD3 0.01 0.17 -0.01 -0.04 1.68 1.81 2bb5B1 LYS 151 HE2 0.04 0.25 -0.01 -0.04 2.99 3.23 2bb5B1 LYS 151 HE3 0.02 -0.13 -0.03 -0.04 2.99 2.81 2bb5B1 ARG 152 H -0.02 0.13 0.06 -0.55 8.46 8.09 2bb5B1 ARG 152 HA -0.33 0.15 0.71 -0.75 4.34 4.11 2bb5B1 ARG 152 HB2 0.12 0.06 -0.04 -0.04 1.90 2.00 2bb5B1 ARG 152 HB3 0.33 0.06 0.00 -0.04 1.80 2.15 2bb5B1 ARG 152 HG2 0.18 0.02 0.04 -0.04 1.67 1.88 2bb5B1 ARG 152 HG3 0.09 -0.07 0.00 -0.04 1.67 1.65 2bb5B1 ARG 152 HD2 0.13 -0.05 0.01 -0.04 3.22 3.26 2bb5B1 ARG 152 HD3 0.19 0.02 0.01 -0.04 3.22 3.40 2bb5B1 VAL 153 H -0.06 0.16 0.10 -0.55 8.24 7.89 2bb5B1 VAL 153 HA 0.01 0.20 0.88 -0.75 4.13 4.46 2bb5B1 VAL 153 HB -0.03 -0.08 0.08 -0.04 2.12 2.06 2bb5B1 VAL 153 HG13 -0.07 0.03 -0.14 -0.04 0.97 0.75 2bb5B1 VAL 153 HG23 -0.05 0.01 -0.09 -0.04 0.95 0.78 2bb5B1 HIS 154 H 0.10 0.13 0.11 -0.55 8.41 8.21 2bb5B1 HIS 154 HA 0.01 0.16 0.46 -0.75 4.63 4.51 2bb5B1 HIS 154 HB2 -0.02 0.12 0.12 -0.04 3.26 3.45 2bb5B1 HIS 154 HB3 -0.02 -0.05 0.09 -0.04 3.20 3.17 2bb5B1 HIS 154 HD2 0.01 0.09 0.12 -0.04 6.97 7.15 2bb5B1 HIS 154 HE1 -0.01 0.08 0.01 -0.04 7.75 7.79 2bb5B1 ASP 155 H -0.30 0.21 0.17 -0.55 8.40 7.94 2bb5B1 ASP 155 HA -0.07 0.10 0.36 -0.75 4.63 4.26 2bb5B1 ASP 155 HB2 -0.29 0.01 0.08 -0.04 2.71 2.47 2bb5B1 ASP 155 HB3 -0.10 0.05 -0.00 -0.04 2.70 2.61 2bb5B1 SER 156 H -0.77 0.07 -0.27 -0.55 8.46 6.94 2bb5B1 SER 156 HA -0.10 0.10 0.36 -0.75 4.49 4.10 2bb5B1 SER 156 HB2 -0.02 0.08 -0.02 -0.04 3.95 3.96 2bb5B1 SER 156 HB3 -0.09 0.03 0.05 -0.04 3.93 3.87 2bb5B1 VAL 157 H -0.04 0.27 -0.37 -0.55 8.24 7.56 2bb5B1 VAL 157 HA 0.09 0.13 0.54 -0.75 4.13 4.13 2bb5B1 VAL 157 HB -0.02 0.11 0.03 -0.04 2.12 2.19 2bb5B1 VAL 157 HG13 -0.16 0.01 -0.15 -0.04 0.97 0.63 2bb5B1 VAL 157 HG23 -0.01 -0.01 -0.05 -0.04 0.95 0.83 2bb5B1 VAL 158 H 0.01 0.30 -0.11 -0.55 8.24 7.90 2bb5B1 VAL 158 HA 0.12 0.04 0.35 -0.75 4.13 3.88 2bb5B1 VAL 158 HB 0.06 0.07 0.04 -0.04 2.12 2.25 2bb5B1 VAL 158 HG13 0.21 -0.00 -0.07 -0.04 0.97 1.07 2bb5B1 VAL 158 HG23 0.04 0.03 -0.07 -0.04 0.95 0.91 2bb5B1 ASP 159 H 0.03 0.58 -0.25 -0.55 8.40 8.22 2bb5B1 ASP 159 HA 0.06 -0.01 0.30 -0.75 4.63 4.22 2bb5B1 ASP 159 HB2 0.00 0.18 0.06 -0.04 2.71 2.91 2bb5B1 ASP 159 HB3 0.01 -0.00 -0.09 -0.04 2.70 2.58 2bb5B1 LYS 160 H 0.10 0.34 -0.39 -0.55 8.42 7.92 2bb5B1 LYS 160 HA 0.02 0.07 0.29 -0.75 4.32 3.94 2bb5B1 LYS 160 HB2 0.09 0.11 0.10 -0.04 1.87 2.13 2bb5B1 LYS 160 HB3 -0.17 -0.05 -0.05 -0.04 1.79 1.48 2bb5B1 LYS 160 HG2 -0.12 0.00 0.02 -0.04 1.46 1.32 2bb5B1 LYS 160 HG3 -0.09 0.09 -0.04 -0.04 1.46 1.38 2bb5B1 LYS 160 HD2 0.01 -0.19 -0.02 -0.04 1.69 1.45 2bb5B1 LYS 160 HD3 -0.00 0.04 0.07 -0.04 1.68 1.74 2bb5B1 LYS 160 HE2 -0.08 0.06 -0.41 -0.04 2.99 2.52 2bb5B1 LYS 160 HE3 -0.03 -0.12 -0.13 -0.04 2.99 2.68 2bb5B1 LEU 161 H 0.28 0.30 -0.21 -0.55 8.37 8.20 2bb5B1 LEU 161 HA 0.16 0.01 0.48 -0.75 4.35 4.24 2bb5B1 LEU 161 HB2 0.38 -0.04 0.04 -0.04 1.64 1.99 2bb5B1 LEU 161 HB3 0.25 0.10 0.08 -0.04 1.64 2.03 2bb5B1 LEU 161 HG -0.01 0.04 -0.13 -0.04 1.64 1.50 2bb5B1 LEU 161 HD13 0.15 -0.03 0.02 -0.04 0.93 1.03 2bb5B1 LEU 161 HD23 -0.42 -0.00 -0.00 -0.04 0.89 0.42 2bb5B1 LEU 162 H 0.23 0.60 -0.10 -0.55 8.37 8.56 2bb5B1 LEU 162 HA 0.10 0.01 0.39 -0.75 4.35 4.09 2bb5B1 LEU 162 HB2 0.08 0.18 0.13 -0.04 1.64 2.00 2bb5B1 LEU 162 HB3 -0.02 -0.03 -0.04 -0.04 1.64 1.51 2bb5B1 LEU 162 HG 0.17 0.06 -0.08 -0.04 1.64 1.75 2bb5B1 LEU 162 HD13 0.03 -0.04 -0.15 -0.04 0.93 0.72 2bb5B1 LEU 162 HD23 -0.28 -0.01 -0.11 -0.04 0.89 0.44 2bb5B1 TYR 163 H 0.13 0.47 -0.22 -0.55 8.29 8.12 2bb5B1 TYR 163 HA -0.08 0.00 0.31 -0.75 4.56 4.05 2bb5B1 TYR 163 HB2 -0.04 0.02 0.09 -0.04 3.06 3.09 2bb5B1 TYR 163 HB3 -0.14 0.09 0.06 -0.04 2.98 2.94 2bb5B1 TYR 163 HD2 -0.10 -0.04 -0.10 -0.04 7.15 6.87 2bb5B1 TYR 163 HE2 0.15 -0.09 0.03 -0.04 6.85 6.90 2bb5B1 ALA 164 H -0.20 0.37 -0.20 -0.55 8.40 7.82 2bb5B1 ALA 164 HA -1.29 -0.01 0.29 -0.75 4.34 2.57 2bb5B1 ALA 164 HB3 -1.02 -0.00 0.06 -0.04 1.41 0.41 2bb5B1 VAL 165 H -0.13 0.28 -0.57 -0.55 8.24 7.27 2bb5B1 VAL 165 HA 0.08 -0.03 0.27 -0.75 4.13 3.70 2bb5B1 VAL 165 HB -0.04 0.19 0.12 -0.04 2.12 2.36 2bb5B1 VAL 165 HG13 -0.01 -0.02 -0.12 -0.04 0.97 0.78 2bb5B1 VAL 165 HG23 0.21 0.03 -0.01 -0.04 0.95 1.13 2bb5B1 GLU 166 H -0.19 0.18 -0.18 -0.55 8.60 7.87 2bb5B1 GLU 166 HA -0.06 -0.05 0.28 -0.75 4.29 3.71 2bb5B1 GLU 166 HB2 -0.30 0.12 0.17 -0.04 2.09 2.04 2bb5B1 GLU 166 HB3 -0.12 -0.06 0.07 -0.04 1.99 1.83 2bb5B1 GLU 166 HG2 -0.10 -0.04 0.02 -0.04 2.34 2.18 2bb5B1 GLU 166 HG3 -0.16 0.02 0.06 -0.04 2.34 2.22 2bb5B1 PRO 167 HA 0.07 0.18 0.76 -0.51 4.44 4.94 2bb5B1 PRO 167 HB2 0.12 -0.39 0.27 -0.04 2.28 2.24 2bb5B1 PRO 167 HB3 0.05 0.01 0.15 -0.04 2.02 2.19 2bb5B1 PRO 167 HG2 0.08 -0.01 0.08 -0.04 2.03 2.15 2bb5B1 PRO 167 HG3 -0.01 -0.00 0.06 -0.04 2.03 2.04 2bb5B1 PRO 167 HD2 -0.08 0.19 0.02 -0.04 3.68 3.76 2bb5B1 PRO 167 HD3 -0.19 0.02 0.15 -0.04 3.65 3.60 2bb5B1 PHE 168 H 0.16 -0.03 0.10 -0.55 8.34 8.02 2bb5B1 PHE 168 HA -0.10 -0.08 0.29 -0.75 4.62 3.98 2bb5B1 PHE 168 HB2 -0.40 0.53 -0.20 -0.04 3.15 3.04 2bb5B1 PHE 168 HB3 -0.60 -0.30 0.23 -0.04 3.06 2.35 2bb5B1 PHE 168 HD2 -0.21 -0.08 -0.01 -0.04 7.28 6.93 2bb5B1 PHE 168 HE2 0.06 -0.00 -0.01 -0.04 7.38 7.38 2bb5B1 PHE 168 HZ -0.07 0.03 -0.04 -0.04 7.32 7.20 2bb5B1 HIS 169 H -0.03 -0.02 0.10 -0.55 8.41 7.91 2bb5B1 HIS 169 HA 0.13 -0.19 0.42 -0.75 4.63 4.24 2bb5B1 HIS 169 HB2 0.08 0.37 -0.25 -0.04 3.26 3.42 2bb5B1 HIS 169 HB3 0.08 -0.16 -0.03 -0.04 3.20 3.04 2bb5B1 HIS 169 HD2 0.12 -0.17 0.03 -0.04 6.97 6.91 2bb5B1 HIS 169 HE1 -0.10 0.05 -0.22 -0.04 7.75 7.43 2bb5B1 GLN 170 H 0.18 0.04 0.03 -0.55 8.47 8.18 2bb5B1 GLN 170 HA 0.11 0.23 0.78 -0.75 4.36 4.72 2bb5B1 GLN 170 HB2 0.08 0.02 0.11 -0.04 2.15 2.32 2bb5B1 GLN 170 HB3 0.07 0.14 -0.24 -0.04 2.02 1.95 2bb5B1 GLN 170 HG2 0.12 -0.11 0.06 -0.04 2.40 2.43 2bb5B1 GLN 170 HG3 0.11 0.01 0.13 -0.04 2.39 2.59 2bb5B1 GLN 170 HE21 -0.01 0.01 -0.03 -0.04 6.97 6.90 2bb5B1 GLN 170 HE22 0.04 0.03 -0.01 -0.04 7.69 7.70 2bb5B1 GLY 171 H 0.12 0.17 -0.03 -0.55 8.43 8.14 2bb5B1 GLY 171 HA2 0.11 0.09 0.37 -0.51 4.01 4.07 2bb5B1 GLY 171 HA3 0.12 0.25 0.85 -0.51 4.01 4.72 2bb5B1 HIS 172 H 0.17 0.26 0.13 -0.55 8.41 8.43 2bb5B1 HIS 172 HA 0.02 0.07 0.27 -0.75 4.63 4.23 2bb5B1 HIS 172 HB2 -0.06 -0.02 -0.00 -0.04 3.26 3.13 2bb5B1 HIS 172 HB3 -0.04 0.11 0.10 -0.04 3.20 3.33 2bb5B1 HIS 172 HD2 -0.06 0.05 -0.00 -0.04 6.97 6.91 2bb5B1 HIS 172 HE1 -0.63 0.02 -0.07 -0.04 7.75 7.03 2bb5B1 HIS 173 H -0.89 0.14 -0.08 -0.55 8.41 7.04 2bb5B1 HIS 173 HA -0.14 0.01 0.46 -0.75 4.63 4.20 2bb5B1 HIS 173 HB2 -0.14 0.09 0.06 -0.04 3.26 3.23 2bb5B1 HIS 173 HB3 -0.07 -0.05 0.03 -0.04 3.20 3.07 2bb5B1 HIS 173 HD2 -0.42 0.03 -0.06 -0.04 6.97 6.47 2bb5B1 HIS 173 HE1 -0.18 0.03 -0.05 -0.04 7.75 7.50 2bb5B1 SER 174 H 0.09 0.87 -0.11 -0.55 8.46 8.76 2bb5B1 SER 174 HA 0.16 0.00 0.41 -0.75 4.49 4.30 2bb5B1 SER 174 HB2 0.20 -0.14 -0.01 -0.04 3.95 3.95 2bb5B1 SER 174 HB3 0.08 -0.06 -0.14 -0.04 3.93 3.77 2bb5B1 VAL 175 H 0.04 0.35 -0.23 -0.55 8.24 7.86 2bb5B1 VAL 175 HA -0.02 0.11 0.29 -0.75 4.13 3.76 2bb5B1 VAL 175 HB 0.09 0.04 0.08 -0.04 2.12 2.29 2bb5B1 VAL 175 HG13 0.10 0.03 -0.17 -0.04 0.97 0.90 2bb5B1 VAL 175 HG23 0.09 -0.00 -0.06 -0.04 0.95 0.94 2bb5B1 ASP 176 H 0.08 0.22 -0.24 -0.55 8.40 7.91 2bb5B1 ASP 176 HA 0.12 0.13 0.60 -0.75 4.63 4.72 2bb5B1 ASP 176 HB2 0.17 0.03 0.12 -0.04 2.71 2.99 2bb5B1 ASP 176 HB3 0.26 -0.02 0.03 -0.04 2.70 2.93 2bb5B1 THR 177 H 0.16 0.66 0.05 -0.55 8.28 8.61 2bb5B1 THR 177 HA 0.25 -0.06 0.37 -0.75 4.39 4.18 2bb5B1 THR 177 HB 0.19 0.16 0.05 -0.04 4.32 4.67 2bb5B1 THR 177 HG23 0.30 -0.03 -0.19 -0.04 1.22 1.25 2bb5B1 ALA 178 H -0.11 0.70 -0.15 -0.55 8.40 8.29 2bb5B1 ALA 178 HA -0.17 0.05 0.42 -0.75 4.34 3.89 2bb5B1 ALA 178 HB3 -0.23 0.04 0.03 -0.04 1.41 1.21 2bb5B1 ALA 179 H -0.09 0.40 -0.30 -0.55 8.40 7.86 2bb5B1 ALA 179 HA -0.38 0.02 0.36 -0.75 4.34 3.59 2bb5B1 ALA 179 HB3 -0.00 0.07 0.01 -0.04 1.41 1.45 2bb5B1 MET 180 H -0.07 0.64 -0.15 -0.55 8.47 8.35 2bb5B1 MET 180 HA -0.11 0.03 0.43 -0.75 4.52 4.12 2bb5B1 MET 180 HB2 -0.44 0.01 0.07 -0.04 2.15 1.75 2bb5B1 MET 180 HB3 -0.29 0.01 0.17 -0.04 2.03 1.88 2bb5B1 MET 180 HG2 -0.89 0.05 -0.01 -0.04 2.63 1.74 2bb5B1 MET 180 HG3 -0.29 -0.08 -0.32 -0.04 2.56 1.82 2bb5B1 MET 180 HE3 -0.09 -0.00 -0.06 -0.04 2.10 1.91 2bb5B1 ALA 181 H -0.13 0.73 0.02 -0.55 8.40 8.48 2bb5B1 ALA 181 HA -0.31 -0.09 0.41 -0.75 4.34 3.59 2bb5B1 ALA 181 HB3 -0.09 0.02 0.09 -0.04 1.41 1.40 2bb5B1 GLY 182 H -0.26 0.82 -0.25 -0.55 8.43 8.19 2bb5B1 GLY 182 HA2 0.04 -0.05 0.35 -0.51 4.01 3.84 2bb5B1 GLY 182 HA3 -0.79 0.08 0.28 -0.51 4.01 3.07 2bb5B1 LEU 183 H -0.05 0.61 -0.09 -0.55 8.37 8.30 2bb5B1 LEU 183 HA 0.23 0.02 0.46 -0.75 4.35 4.30 2bb5B1 LEU 183 HB2 0.02 0.13 0.22 -0.04 1.64 1.97 2bb5B1 LEU 183 HB3 0.08 -0.08 -0.05 -0.04 1.64 1.56 2bb5B1 LEU 183 HG 0.19 0.13 0.06 -0.04 1.64 1.98 2bb5B1 LEU 183 HD13 0.09 -0.03 -0.06 -0.04 0.93 0.88 2bb5B1 LEU 183 HD23 0.11 -0.01 -0.08 -0.04 0.89 0.87 2bb5B1 ALA 184 H -0.13 0.63 -0.06 -0.55 8.40 8.29 2bb5B1 ALA 184 HA -0.07 -0.02 0.37 -0.75 4.34 3.86 2bb5B1 ALA 184 HB3 -0.31 0.05 0.11 -0.04 1.41 1.22 2bb5B1 PHE 185 H -0.21 0.57 -0.21 -0.55 8.34 7.93 2bb5B1 PHE 185 HA 0.04 -0.09 0.31 -0.75 4.62 4.13 2bb5B1 PHE 185 HB2 0.06 0.19 0.13 -0.04 3.15 3.48 2bb5B1 PHE 185 HB3 0.05 -0.06 -0.03 -0.04 3.06 2.99 2bb5B1 PHE 185 HD2 0.00 -0.04 -0.12 -0.04 7.28 7.08 2bb5B1 PHE 185 HE2 -0.00 -0.02 -0.13 -0.04 7.38 7.18 2bb5B1 PHE 185 HZ 0.01 -0.00 -0.56 -0.04 7.32 6.73 2bb5B1 THR 186 H 0.24 0.56 -0.09 -0.55 8.28 8.44 2bb5B1 THR 186 HA 0.14 -0.04 0.37 -0.75 4.39 4.11 2bb5B1 THR 186 HB 0.13 0.15 0.20 -0.04 4.32 4.75 2bb5B1 THR 186 HG23 0.05 -0.01 -0.09 -0.04 1.22 1.13 2bb5B1 CYS 187 H 0.08 0.59 -0.14 -0.55 8.50 8.48 2bb5B1 CYS 187 HA 0.06 0.03 0.33 -0.75 4.58 4.25 2bb5B1 CYS 187 HB2 0.03 -0.00 0.06 -0.04 2.97 3.02 2bb5B1 CYS 187 HB3 0.03 0.14 0.16 -0.04 2.97 3.26 2bb5B1 LEU 188 H 0.11 0.54 -0.06 -0.55 8.37 8.41 2bb5B1 LEU 188 HA 0.28 0.01 0.32 -0.75 4.35 4.21 2bb5B1 LEU 188 HB2 0.20 0.14 0.12 -0.04 1.64 2.06 2bb5B1 LEU 188 HB3 0.19 -0.23 0.00 -0.04 1.64 1.56 2bb5B1 LEU 188 HG 0.06 0.24 -0.02 -0.04 1.64 1.87 2bb5B1 LEU 188 HD13 0.15 -0.04 -0.08 -0.04 0.93 0.92 2bb5B1 LEU 188 HD23 0.03 -0.02 -0.04 -0.04 0.89 0.81 2bb5B1 LYS 189 H 0.14 0.79 -0.14 -0.55 8.42 8.66 2bb5B1 LYS 189 HA 0.08 -0.11 0.43 -0.75 4.32 3.96 2bb5B1 LYS 189 HB2 0.10 -0.06 0.04 -0.04 1.87 1.91 2bb5B1 LYS 189 HB3 0.09 0.23 0.15 -0.04 1.79 2.22 2bb5B1 LYS 189 HG2 0.05 0.03 -0.13 -0.04 1.46 1.36 2bb5B1 LYS 189 HG3 0.04 -0.10 0.04 -0.04 1.46 1.40 2bb5B1 LYS 189 HD2 0.05 -0.08 -0.04 -0.04 1.69 1.58 2bb5B1 LYS 189 HD3 0.06 0.07 -0.03 -0.04 1.68 1.75 2bb5B1 LYS 189 HE2 0.03 0.02 -0.02 -0.04 2.99 2.98 2bb5B1 LYS 189 HE3 0.03 0.03 -0.05 -0.04 2.99 2.96 2bb5B1 ARG 190 H 0.09 0.63 -0.15 -0.55 8.46 8.48 2bb5B1 ARG 190 HA 0.06 0.00 0.40 -0.75 4.34 4.04 2bb5B1 ARG 190 HB2 0.06 0.09 0.10 -0.04 1.90 2.12 2bb5B1 ARG 190 HB3 0.06 0.08 0.07 -0.04 1.80 1.97 2bb5B1 ARG 190 HG2 0.10 -0.01 0.11 -0.04 1.67 1.83 2bb5B1 ARG 190 HG3 0.07 -0.05 0.09 -0.04 1.67 1.73 2bb5B1 ARG 190 HD2 0.05 0.01 -0.01 -0.04 3.22 3.22 2bb5B1 ARG 190 HD3 0.09 -0.01 0.01 -0.04 3.22 3.27 2bb5B1 SER 191 H 0.07 0.12 -0.62 -0.55 8.46 7.49 2bb5B1 SER 191 HA -0.04 0.14 0.66 -0.75 4.49 4.50 2bb5B1 SER 191 HB2 0.21 0.02 -0.04 -0.04 3.95 4.09 2bb5B1 SER 191 HB3 -0.32 -0.07 0.10 -0.04 3.93 3.59 2bb5B1 ASN 192 H 0.02 0.21 0.04 -0.55 8.53 8.25 2bb5B1 ASN 192 HA 0.01 -0.06 0.32 -0.75 4.76 4.28 2bb5B1 ASN 192 HB2 -0.04 0.03 -0.18 -0.04 2.88 2.65 2bb5B1 ASN 192 HB3 -0.10 0.13 0.10 -0.04 2.79 2.87 2bb5B1 ASN 192 HD21 -0.01 -0.08 0.02 -0.04 7.03 6.93 2bb5B1 ASN 192 HD22 -0.01 0.07 0.00 -0.04 7.74 7.76 2bb5B1 PHE 193 H 0.17 0.38 0.00 -0.55 8.34 8.34 2bb5B1 PHE 193 HA 0.03 0.20 0.27 -0.75 4.62 4.37 2bb5B1 PHE 193 HB2 0.03 -0.00 0.09 -0.04 3.15 3.23 2bb5B1 PHE 193 HB3 0.03 -0.09 -0.07 -0.04 3.06 2.89 2bb5B1 PHE 193 HD2 0.02 -0.03 -0.05 -0.04 7.28 7.18 2bb5B1 PHE 193 HE2 0.01 0.05 -0.10 -0.04 7.38 7.29 2bb5B1 PHE 193 HZ 0.01 0.01 -0.10 -0.04 7.32 7.19 2bb5B1 ASN 194 H 0.15 0.10 -0.17 -0.55 8.53 8.06 2bb5B1 ASN 194 HA 0.10 0.26 0.88 -0.75 4.76 5.24 2bb5B1 ASN 194 HB2 0.09 0.00 0.06 -0.04 2.88 3.00 2bb5B1 ASN 194 HB3 0.06 -0.11 0.04 -0.04 2.79 2.73 2bb5B1 ASN 194 HD21 0.05 0.41 -0.22 -0.04 7.03 7.23 2bb5B1 ASN 194 HD22 0.03 -0.20 -0.06 -0.04 7.74 7.47 2bb5B1 PRO 195 HA 0.02 0.07 0.31 -0.51 4.44 4.33 2bb5B1 PRO 195 HB2 0.02 -0.02 0.05 -0.04 2.28 2.29 2bb5B1 PRO 195 HB3 0.01 0.07 0.08 -0.04 2.02 2.13 2bb5B1 PRO 195 HG2 0.02 0.04 0.06 -0.04 2.03 2.11 2bb5B1 PRO 195 HG3 0.00 0.28 0.04 -0.04 2.03 2.32 2bb5B1 PRO 195 HD2 0.05 0.01 0.11 -0.04 3.68 3.81 2bb5B1 PRO 195 HD3 0.06 0.46 -0.45 -0.04 3.65 3.68 2bb5B1 GLY 196 H 0.03 0.19 -0.14 -0.55 8.43 7.96 2bb5B1 GLY 196 HA2 0.01 0.08 0.34 -0.51 4.01 3.93 2bb5B1 GLY 196 HA3 0.01 0.03 0.28 -0.51 4.01 3.82 2bb5B1 ARG 197 H 0.02 0.43 -0.82 -0.55 8.46 7.54 2bb5B1 ARG 197 HA -0.00 0.14 0.81 -0.75 4.34 4.54 2bb5B1 ARG 197 HB2 0.03 0.11 -0.01 -0.04 1.90 1.98 2bb5B1 ARG 197 HB3 0.00 -0.04 0.09 -0.04 1.80 1.81 2bb5B1 ARG 197 HG2 0.00 -0.13 -0.44 -0.04 1.67 1.06 2bb5B1 ARG 197 HG3 0.01 -0.02 -0.09 -0.04 1.67 1.53 2bb5B1 ARG 197 HD2 0.00 -0.00 -0.04 -0.04 3.22 3.14 2bb5B1 ARG 197 HD3 -0.00 0.18 -0.05 -0.04 3.22 3.31 2bb5B1 ARG 198 H 0.01 0.74 0.09 -0.55 8.46 8.76 2bb5B1 ARG 198 HA 0.02 0.05 0.36 -0.75 4.34 4.01 2bb5B1 ARG 198 HB2 0.02 -0.01 0.16 -0.04 1.90 2.02 2bb5B1 ARG 198 HB3 0.01 0.04 0.24 -0.04 1.80 2.04 2bb5B1 ARG 198 HG2 0.00 -0.02 -0.17 -0.04 1.67 1.44 2bb5B1 ARG 198 HG3 0.01 -0.01 -0.02 -0.04 1.67 1.62 2bb5B1 ARG 198 HD2 0.01 0.01 0.03 -0.04 3.22 3.23 2bb5B1 ARG 198 HD3 0.00 -0.01 0.02 -0.04 3.22 3.19 2bb5B1 GLN 199 H -0.00 0.17 -0.05 -0.55 8.47 8.04 2bb5B1 GLN 199 HA -0.01 0.10 0.41 -0.75 4.36 4.10 2bb5B1 GLN 199 HB2 -0.01 -0.01 0.04 -0.04 2.15 2.13 2bb5B1 GLN 199 HB3 -0.01 0.04 -0.00 -0.04 2.02 2.00 2bb5B1 GLN 199 HG2 -0.01 0.04 0.02 -0.04 2.40 2.41 2bb5B1 GLN 199 HG3 -0.00 0.03 0.02 -0.04 2.39 2.40 2bb5B1 GLN 199 HE21 0.00 0.04 0.02 -0.04 6.97 6.99 2bb5B1 GLN 199 HE22 -0.00 0.03 -0.01 -0.04 7.69 7.67 2bb5B1 ARG 200 H -0.02 0.04 -0.44 -0.55 8.46 7.48 2bb5B1 ARG 200 HA -0.05 0.06 0.42 -0.75 4.34 4.01 2bb5B1 ARG 200 HB2 -0.02 -0.02 0.07 -0.04 1.90 1.89 2bb5B1 ARG 200 HB3 -0.03 0.11 0.13 -0.04 1.80 1.97 2bb5B1 ARG 200 HG2 -0.03 -0.01 -0.04 -0.04 1.67 1.55 2bb5B1 ARG 200 HG3 -0.08 0.00 -0.09 -0.04 1.67 1.46 2bb5B1 ARG 200 HD2 -0.03 -0.02 0.01 -0.04 3.22 3.15 2bb5B1 ARG 200 HD3 -0.01 0.00 0.00 -0.04 3.22 3.17 2bb5B1 ILE 201 H -0.06 0.76 -0.02 -0.55 8.25 8.38 2bb5B1 ILE 201 HA -0.35 0.01 0.42 -0.75 4.18 3.50 2bb5B1 ILE 201 HB -0.01 0.13 0.14 -0.04 1.89 2.11 2bb5B1 ILE 201 HG12 0.02 -0.04 -0.01 -0.04 1.49 1.41 2bb5B1 ILE 201 HG13 -0.03 0.02 0.01 -0.04 1.21 1.16 2bb5B1 ILE 201 HG23 0.02 -0.01 -0.16 -0.04 0.93 0.74 2bb5B1 ILE 201 HD13 0.10 -0.02 -0.15 -0.04 0.88 0.77 2bb5B1 THR 202 H -0.04 0.47 -0.09 -0.55 8.28 8.07 2bb5B1 THR 202 HA -0.01 0.04 0.39 -0.75 4.39 4.05 2bb5B1 THR 202 HB -0.02 0.08 0.12 -0.04 4.32 4.46 2bb5B1 THR 202 HG23 0.00 -0.01 -0.07 -0.04 1.22 1.10 2bb5B1 MET 203 H -0.06 0.39 -0.22 -0.55 8.47 8.03 2bb5B1 MET 203 HA -0.03 0.01 0.46 -0.75 4.52 4.20 2bb5B1 MET 203 HB2 -0.07 0.18 0.18 -0.04 2.15 2.40 2bb5B1 MET 203 HB3 -0.06 -0.01 -0.02 -0.04 2.03 1.90 2bb5B1 MET 203 HG2 -0.03 -0.03 0.03 -0.04 2.63 2.56 2bb5B1 MET 203 HG3 -0.03 -0.03 0.05 -0.04 2.56 2.52 2bb5B1 MET 203 HE3 -0.03 -0.00 -0.01 -0.04 2.10 2.02 2bb5B1 ALA 204 H -0.18 0.41 -0.17 -0.55 8.40 7.92 2bb5B1 ALA 204 HA -0.13 0.02 0.40 -0.75 4.34 3.88 2bb5B1 ALA 204 HB3 -0.52 0.05 0.12 -0.04 1.41 1.02 2bb5B1 ILE 205 H -0.11 0.54 -0.09 -0.55 8.25 8.04 2bb5B1 ILE 205 HA 0.16 0.00 0.46 -0.75 4.18 4.05 2bb5B1 ILE 205 HB 0.07 0.14 0.13 -0.04 1.89 2.19 2bb5B1 ILE 205 HG12 0.29 -0.01 0.03 -0.04 1.49 1.76 2bb5B1 ILE 205 HG13 0.02 0.21 0.03 -0.04 1.21 1.44 2bb5B1 ILE 205 HG23 0.28 -0.01 -0.06 -0.04 0.93 1.10 2bb5B1 ILE 205 HD13 0.14 -0.01 -0.22 -0.04 0.88 0.75 2bb5B1 ARG 206 H 0.02 0.51 -0.19 -0.55 8.46 8.25 2bb5B1 ARG 206 HA 0.06 -0.02 0.47 -0.75 4.34 4.11 2bb5B1 ARG 206 HB2 0.01 0.09 0.16 -0.04 1.90 2.12 2bb5B1 ARG 206 HB3 0.00 0.13 0.11 -0.04 1.80 2.00 2bb5B1 ARG 206 HG2 0.03 -0.04 0.09 -0.04 1.67 1.70 2bb5B1 ARG 206 HG3 0.01 -0.03 0.02 -0.04 1.67 1.64 2bb5B1 ARG 206 HD2 0.01 0.01 -0.04 -0.04 3.22 3.15 2bb5B1 ARG 206 HD3 0.02 -0.00 -0.12 -0.04 3.22 3.08 2bb5B1 THR 207 H -0.01 0.43 -0.22 -0.55 8.28 7.93 2bb5B1 THR 207 HA 0.01 -0.01 0.48 -0.75 4.39 4.11 2bb5B1 THR 207 HB -0.03 0.16 0.15 -0.04 4.32 4.56 2bb5B1 THR 207 HG23 -0.02 -0.02 -0.07 -0.04 1.22 1.07 2bb5B1 VAL 208 H 0.02 0.51 -0.12 -0.55 8.24 8.10 2bb5B1 VAL 208 HA -0.06 0.05 0.33 -0.75 4.13 3.70 2bb5B1 VAL 208 HB -0.07 0.13 0.20 -0.04 2.12 2.34 2bb5B1 VAL 208 HG13 -0.61 -0.04 -0.20 -0.04 0.97 0.08 2bb5B1 VAL 208 HG23 -0.02 0.05 -0.01 -0.04 0.95 0.94 2bb5B1 ARG 209 H 0.19 0.49 -0.07 -0.55 8.46 8.51 2bb5B1 ARG 209 HA 0.24 -0.01 0.38 -0.75 4.34 4.20 2bb5B1 ARG 209 HB2 0.13 -0.04 0.06 -0.04 1.90 2.01 2bb5B1 ARG 209 HB3 0.33 0.03 0.10 -0.04 1.80 2.22 2bb5B1 ARG 209 HG2 0.13 0.15 0.14 -0.04 1.67 2.05 2bb5B1 ARG 209 HG3 0.08 -0.01 -0.07 -0.04 1.67 1.64 2bb5B1 ARG 209 HD2 0.07 0.01 0.01 -0.04 3.22 3.26 2bb5B1 ARG 209 HD3 0.05 -0.03 0.03 -0.04 3.22 3.23 2bb5B1 GLU 210 H 0.07 0.36 -0.36 -0.55 8.60 8.12 2bb5B1 GLU 210 HA 0.06 0.00 0.52 -0.75 4.29 4.13 2bb5B1 GLU 210 HB2 0.03 0.21 0.20 -0.04 2.09 2.49 2bb5B1 GLU 210 HB3 0.04 -0.04 0.01 -0.04 1.99 1.95 2bb5B1 GLU 210 HG2 0.04 -0.08 0.04 -0.04 2.34 2.29 2bb5B1 GLU 210 HG3 0.04 0.13 0.09 -0.04 2.34 2.56 2bb5B1 GLU 211 H 0.03 0.57 0.02 -0.55 8.60 8.67 2bb5B1 GLU 211 HA 0.04 -0.01 0.38 -0.75 4.29 3.95 2bb5B1 GLU 211 HB2 -0.01 0.16 0.21 -0.04 2.09 2.41 2bb5B1 GLU 211 HB3 -0.03 -0.09 -0.04 -0.04 1.99 1.79 2bb5B1 GLU 211 HG2 0.03 -0.10 0.07 -0.04 2.34 2.30 2bb5B1 GLU 211 HG3 0.02 0.07 0.09 -0.04 2.34 2.49 2bb5B1 ILE 212 H 0.03 0.63 -0.18 -0.55 8.25 8.18 2bb5B1 ILE 212 HA 0.08 -0.02 0.47 -0.75 4.18 3.95 2bb5B1 ILE 212 HB 0.05 0.05 0.10 -0.04 1.89 2.05 2bb5B1 ILE 212 HG12 -0.04 -0.07 0.01 -0.04 1.49 1.35 2bb5B1 ILE 212 HG13 -0.08 0.10 -0.03 -0.04 1.21 1.17 2bb5B1 ILE 212 HG23 -0.11 -0.01 -0.18 -0.04 0.93 0.59 2bb5B1 ILE 212 HD13 -0.15 -0.03 -0.13 -0.04 0.88 0.52 2bb5B1 LEU 213 H 0.12 0.72 0.02 -0.55 8.37 8.69 2bb5B1 LEU 213 HA 0.47 -0.02 0.26 -0.75 4.35 4.30 2bb5B1 LEU 213 HB2 0.13 0.16 0.20 -0.04 1.64 2.09 2bb5B1 LEU 213 HB3 0.12 0.01 0.07 -0.04 1.64 1.79 2bb5B1 LEU 213 HG 0.16 -0.01 0.02 -0.04 1.64 1.77 2bb5B1 LEU 213 HD13 0.27 -0.01 -0.04 -0.04 0.93 1.11 2bb5B1 LEU 213 HD23 0.08 -0.03 -0.08 -0.04 0.89 0.82 2bb5B1 LYS 214 H 0.10 0.65 -0.37 -0.55 8.42 8.26 2bb5B1 LYS 214 HA 0.06 -0.01 0.54 -0.75 4.32 4.17 2bb5B1 LYS 214 HB2 0.05 -0.07 0.05 -0.04 1.87 1.87 2bb5B1 LYS 214 HB3 0.06 0.17 0.08 -0.04 1.79 2.06 2bb5B1 LYS 214 HG2 0.05 -0.01 -0.26 -0.04 1.46 1.19 2bb5B1 LYS 214 HG3 0.04 -0.07 0.01 -0.04 1.46 1.40 2bb5B1 LYS 214 HD2 0.04 -0.04 -0.05 -0.04 1.69 1.60 2bb5B1 LYS 214 HD3 0.04 0.06 -0.04 -0.04 1.68 1.70 2bb5B1 LYS 214 HE2 0.04 -0.02 -0.04 -0.04 2.99 2.93 2bb5B1 LYS 214 HE3 0.03 -0.05 -0.02 -0.04 2.99 2.91 2bb5B1 ALA 215 H 0.13 0.42 -0.29 -0.55 8.40 8.11 2bb5B1 ALA 215 HA 0.06 0.05 0.38 -0.75 4.34 4.08 2bb5B1 ALA 215 HB3 0.11 -0.02 0.18 -0.04 1.41 1.63 2bb5B1 GLN 216 H 0.04 0.34 -0.79 -0.55 8.47 7.52 2bb5B1 GLN 216 HA -0.19 0.10 0.81 -0.75 4.36 4.33 2bb5B1 GLN 216 HB2 -0.29 -0.01 0.01 -0.04 2.15 1.81 2bb5B1 GLN 216 HB3 -0.12 -0.00 0.09 -0.04 2.02 1.95 2bb5B1 GLN 216 HG2 -0.26 0.00 -0.26 -0.04 2.40 1.84 2bb5B1 GLN 216 HG3 -0.67 0.16 -0.34 -0.04 2.39 1.49 2bb5B1 GLN 216 HE21 -0.29 0.46 0.17 -0.04 6.97 7.27 2bb5B1 GLN 216 HE22 -0.83 0.37 -0.00 -0.04 7.69 7.19 2bb5B1 THR 217 H -0.06 0.25 0.22 -0.55 8.28 8.15 2bb5B1 THR 217 HA -0.02 0.14 0.44 -0.75 4.39 4.20 2bb5B1 THR 217 HB 0.00 0.01 0.13 -0.04 4.32 4.41 2bb5B1 THR 217 HG23 0.02 0.02 0.03 -0.04 1.22 1.25 2bb5B1 PRO 218 HA -0.04 0.16 0.40 -0.51 4.44 4.45 2bb5B1 PRO 218 HB2 -0.02 -0.01 -0.01 -0.04 2.28 2.20 2bb5B1 PRO 218 HB3 -0.02 0.04 0.11 -0.04 2.02 2.11 2bb5B1 PRO 218 HG2 -0.01 0.02 0.08 -0.04 2.03 2.08 2bb5B1 PRO 218 HG3 -0.01 0.10 0.10 -0.04 2.03 2.17 2bb5B1 PRO 218 HD2 -0.01 0.04 0.20 -0.04 3.68 3.87 2bb5B1 PRO 218 HD3 -0.01 0.20 0.23 -0.04 3.65 4.03 2bb5B1 GLU 219 H -0.03 0.01 -0.40 -0.55 8.60 7.63 2bb5B1 GLU 219 HA -0.05 0.13 0.55 -0.75 4.29 4.17 2bb5B1 GLU 219 HB2 0.01 -0.13 0.00 -0.04 2.09 1.93 2bb5B1 GLU 219 HB3 -0.04 0.04 0.01 -0.04 1.99 1.95 2bb5B1 GLU 219 HG2 0.04 -0.00 0.00 -0.04 2.34 2.34 2bb5B1 GLU 219 HG3 -0.00 0.06 0.01 -0.04 2.34 2.36 2bb5B1 GLY 220 H -0.11 0.38 -0.26 -0.55 8.43 7.89 2bb5B1 GLY 220 HA2 -0.18 0.09 0.14 -0.51 4.01 3.55 2bb5B1 GLY 220 HA3 -0.20 0.17 0.62 -0.51 4.01 4.09 2bb5B1 HIS 221 H -0.11 -0.09 -0.12 -0.55 8.41 7.55 2bb5B1 HIS 221 HA -0.07 0.14 0.33 -0.75 4.63 4.28 2bb5B1 HIS 221 HB2 -0.06 -0.07 -0.13 -0.04 3.26 2.97 2bb5B1 HIS 221 HB3 -0.01 0.04 -0.41 -0.04 3.20 2.78 2bb5B1 HIS 221 HD2 -0.05 -0.02 -0.10 -0.04 6.97 6.75 2bb5B1 HIS 221 HE1 0.06 0.05 -0.19 -0.04 7.75 7.62 2bb5B1 PHE 222 H 0.31 0.15 0.05 -0.55 8.34 8.30 2bb5B1 PHE 222 HA 0.07 0.28 0.78 -0.75 4.62 4.99 2bb5B1 PHE 222 HB2 0.09 -0.09 0.10 -0.04 3.15 3.20 2bb5B1 PHE 222 HB3 0.07 0.02 -0.05 -0.04 3.06 3.06 2bb5B1 PHE 222 HD2 0.07 0.05 -0.12 -0.04 7.28 7.23 2bb5B1 PHE 222 HE2 0.04 0.01 -0.08 -0.04 7.38 7.31 2bb5B1 PHE 222 HZ 0.03 -0.02 -0.22 -0.04 7.32 7.07 2bb5B1 GLY 223 H 0.10 0.65 0.12 -0.55 8.43 8.75 2bb5B1 GLY 223 HA2 0.08 0.07 0.44 -0.51 4.01 4.09 2bb5B1 GLY 223 HA3 0.11 -0.01 0.57 -0.51 4.01 4.16 2bb5B1 ASN 224 H 0.05 0.39 0.17 -0.55 8.53 8.58 2bb5B1 ASN 224 HA -0.11 0.19 0.28 -0.75 4.76 4.37 2bb5B1 ASN 224 HB2 -0.19 -0.03 0.22 -0.04 2.88 2.84 2bb5B1 ASN 224 HB3 -0.09 0.15 0.02 -0.04 2.79 2.83 2bb5B1 ASN 224 HD21 -0.19 0.03 -0.06 -0.04 7.03 6.77 2bb5B1 ASN 224 HD22 -0.34 0.10 -0.01 -0.04 7.74 7.46 2bb5B1 VAL 225 H -0.49 0.22 0.13 -0.55 8.24 7.55 2bb5B1 VAL 225 HA -0.99 0.13 0.44 -0.75 4.13 2.95 2bb5B1 VAL 225 HB -0.76 0.04 0.12 -0.04 2.12 1.47 2bb5B1 VAL 225 HG13 -1.26 0.01 0.03 -0.04 0.97 -0.29 2bb5B1 VAL 225 HG23 -0.33 0.03 -0.02 -0.04 0.95 0.59 2bb5B1 TYR 226 H -0.31 0.06 -0.12 -0.55 8.29 7.37 2bb5B1 TYR 226 HA -0.04 0.24 0.57 -0.75 4.56 4.58 2bb5B1 TYR 226 HB2 -0.12 -0.02 0.03 -0.04 3.06 2.91 2bb5B1 TYR 226 HB3 -0.07 0.00 0.12 -0.04 2.98 2.99 2bb5B1 TYR 226 HD2 -0.33 -0.00 0.03 -0.04 7.15 6.80 2bb5B1 TYR 226 HE2 -0.45 0.08 0.03 -0.04 6.85 6.46 2bb5B1 SER 227 H 0.03 0.12 -0.36 -0.55 8.46 7.70 2bb5B1 SER 227 HA 0.12 0.12 0.77 -0.75 4.49 4.75 2bb5B1 SER 227 HB2 0.10 0.14 0.22 -0.04 3.95 4.37 2bb5B1 SER 227 HB3 0.11 -0.01 0.03 -0.04 3.93 4.03 2bb5B1 THR 228 H 0.12 0.17 -0.28 -0.55 8.28 7.74 2bb5B1 THR 228 HA 0.26 0.04 0.34 -0.75 4.39 4.28 2bb5B1 THR 228 HB 0.27 0.17 0.12 -0.04 4.32 4.84 2bb5B1 THR 228 HG23 0.40 0.01 -0.04 -0.04 1.22 1.56 2bb5B1 PRO 229 HA 0.05 0.11 0.39 -0.51 4.44 4.47 2bb5B1 PRO 229 HB2 0.10 -0.04 -0.12 -0.04 2.28 2.19 2bb5B1 PRO 229 HB3 0.03 0.10 -0.18 -0.04 2.02 1.93 2bb5B1 PRO 229 HG2 0.39 0.05 -0.01 -0.04 2.03 2.42 2bb5B1 PRO 229 HG3 0.19 0.05 0.02 -0.04 2.03 2.25 2bb5B1 PRO 229 HD2 0.21 0.07 -0.40 -0.04 3.68 3.52 2bb5B1 PRO 229 HD3 0.27 0.31 0.14 -0.04 3.65 4.33 2bb5B1 LEU 230 H 0.09 0.14 -0.23 -0.55 8.37 7.83 2bb5B1 LEU 230 HA -0.02 0.10 0.39 -0.75 4.35 4.05 2bb5B1 LEU 230 HB2 0.11 -0.01 0.06 -0.04 1.64 1.76 2bb5B1 LEU 230 HB3 0.10 0.05 0.00 -0.04 1.64 1.75 2bb5B1 LEU 230 HG 0.06 -0.01 -0.07 -0.04 1.64 1.59 2bb5B1 LEU 230 HD13 0.03 0.01 -0.01 -0.04 0.93 0.92 2bb5B1 LEU 230 HD23 0.25 -0.01 -0.02 -0.04 0.89 1.06 2bb5B1 ALA 231 H 0.05 0.37 -0.29 -0.55 8.40 7.98 2bb5B1 ALA 231 HA -0.01 -0.00 0.51 -0.75 4.34 4.08 2bb5B1 ALA 231 HB3 -0.13 0.03 0.08 -0.04 1.41 1.35 2bb5B1 LEU 232 H -0.04 0.73 0.04 -0.55 8.37 8.56 2bb5B1 LEU 232 HA -0.13 -0.02 0.37 -0.75 4.35 3.82 2bb5B1 LEU 232 HB2 0.01 0.12 0.16 -0.04 1.64 1.89 2bb5B1 LEU 232 HB3 -0.01 0.02 -0.05 -0.04 1.64 1.56 2bb5B1 LEU 232 HG 0.10 -0.02 0.04 -0.04 1.64 1.72 2bb5B1 LEU 232 HD13 0.10 -0.02 -0.14 -0.04 0.93 0.82 2bb5B1 LEU 232 HD23 0.10 0.00 -0.04 -0.04 0.89 0.92 2bb5B1 GLN 233 H -0.03 0.59 -0.19 -0.55 8.47 8.30 2bb5B1 GLN 233 HA -0.07 0.08 0.35 -0.75 4.36 3.97 2bb5B1 GLN 233 HB2 -0.11 0.17 0.14 -0.04 2.15 2.31 2bb5B1 GLN 233 HB3 -0.08 0.06 0.13 -0.04 2.02 2.09 2bb5B1 GLN 233 HG2 -0.21 -0.19 0.01 -0.04 2.40 1.96 2bb5B1 GLN 233 HG3 -0.16 0.10 0.15 -0.04 2.39 2.44 2bb5B1 GLN 233 HE21 -1.77 0.07 -0.04 -0.04 6.97 5.19 2bb5B1 GLN 233 HE22 -1.33 -0.14 0.00 -0.04 7.69 6.19 2bb5B1 PHE 234 H 0.11 0.49 -0.14 -0.55 8.34 8.25 2bb5B1 PHE 234 HA -0.04 -0.02 0.48 -0.75 4.62 4.29 2bb5B1 PHE 234 HB2 -0.04 0.04 0.17 -0.04 3.15 3.28 2bb5B1 PHE 234 HB3 -0.07 0.15 0.23 -0.04 3.06 3.33 2bb5B1 PHE 234 HD2 -0.04 0.03 -0.17 -0.04 7.28 7.06 2bb5B1 PHE 234 HE2 0.02 -0.00 -0.07 -0.04 7.38 7.28 2bb5B1 PHE 234 HZ 0.02 0.11 0.05 -0.04 7.32 7.46 2bb5B1 LEU 235 H -0.05 0.58 -0.06 -0.55 8.37 8.29 2bb5B1 LEU 235 HA -0.48 -0.07 0.42 -0.75 4.35 3.47 2bb5B1 LEU 235 HB2 -0.15 0.09 0.10 -0.04 1.64 1.64 2bb5B1 LEU 235 HB3 -0.13 -0.05 0.07 -0.04 1.64 1.50 2bb5B1 LEU 235 HG -0.06 0.11 -0.03 -0.04 1.64 1.63 2bb5B1 LEU 235 HD13 -0.44 -0.02 -0.11 -0.04 0.93 0.31 2bb5B1 LEU 235 HD23 -0.02 -0.03 0.02 -0.04 0.89 0.83 2bb5B1 MET 236 H -0.12 0.45 -0.47 -0.55 8.47 7.77 2bb5B1 MET 236 HA -0.08 0.14 0.62 -0.75 4.52 4.46 2bb5B1 MET 236 HB2 -0.05 0.07 0.03 -0.04 2.15 2.15 2bb5B1 MET 236 HB3 -0.03 -0.04 0.11 -0.04 2.03 2.03 2bb5B1 MET 236 HG2 -0.02 0.32 0.06 -0.04 2.63 2.96 2bb5B1 MET 236 HG3 -0.04 0.03 -0.07 -0.04 2.56 2.44 2bb5B1 MET 236 HE3 -0.04 0.01 -0.17 -0.04 2.10 1.85 2bb5B1 THR 237 H -0.26 0.14 -0.51 -0.55 8.28 7.11 2bb5B1 THR 237 HA -0.07 0.20 0.83 -0.75 4.39 4.59 2bb5B1 THR 237 HB -0.06 -0.07 0.03 -0.04 4.32 4.18 2bb5B1 THR 237 HG23 -0.04 0.01 -0.10 -0.04 1.22 1.05 2bb5B1 SER 238 H -0.33 0.11 0.05 -0.55 8.46 7.74 2bb5B1 SER 238 HA -0.12 0.04 0.43 -0.75 4.49 4.08 2bb5B1 SER 238 HB2 -0.22 0.12 0.22 -0.04 3.95 4.04 2bb5B1 SER 238 HB3 -0.10 -0.08 0.06 -0.04 3.93 3.76 2bb5B1 PRO 239 HA -0.03 0.15 0.42 -0.51 4.44 4.46 2bb5B1 PRO 239 HB2 -0.01 -0.05 0.12 -0.04 2.28 2.29 2bb5B1 PRO 239 HB3 -0.02 0.09 0.08 -0.04 2.02 2.13 2bb5B1 PRO 239 HG2 -0.01 -0.05 0.03 -0.04 2.03 1.96 2bb5B1 PRO 239 HG3 -0.01 0.09 0.09 -0.04 2.03 2.16 2bb5B1 PRO 239 HD2 -0.03 -0.00 0.14 -0.04 3.68 3.75 2bb5B1 PRO 239 HD3 -0.04 0.15 0.25 -0.04 3.65 3.97 2bb5B1 MET 240 H -0.03 0.10 -0.40 -0.55 8.47 7.59 2bb5B1 MET 240 HA -0.01 0.16 0.67 -0.75 4.52 4.58 2bb5B1 MET 240 HB2 -0.01 -0.03 0.03 -0.04 2.15 2.10 2bb5B1 MET 240 HB3 -0.01 -0.01 0.11 -0.04 2.03 2.08 2bb5B1 MET 240 HG2 -0.00 0.01 -0.01 -0.04 2.63 2.59 2bb5B1 MET 240 HG3 0.00 -0.04 -0.02 -0.04 2.56 2.46 2bb5B1 MET 240 HE3 0.01 -0.03 -0.01 -0.04 2.10 2.03 2bb5B1 PRO 241 HA -0.00 0.07 0.43 -0.51 4.44 4.43 2bb5B1 PRO 241 HB2 -0.00 -0.34 0.21 -0.04 2.28 2.11 2bb5B1 PRO 241 HB3 -0.00 0.06 0.08 -0.04 2.02 2.11 2bb5B1 PRO 241 HG2 -0.00 0.02 0.09 -0.04 2.03 2.09 2bb5B1 PRO 241 HG3 -0.01 0.13 0.07 -0.04 2.03 2.18 2bb5B1 PRO 241 HD2 -0.00 0.04 0.09 -0.04 3.68 3.77 2bb5B1 PRO 241 HD3 -0.01 0.39 0.42 -0.04 3.65 4.40 2bb5B1 GLY 242 H 0.00 0.21 0.04 -0.55 8.43 8.13 2bb5B1 GLY 242 HA2 0.00 0.05 0.41 -0.51 4.01 3.96 2bb5B1 GLY 242 HA3 0.01 0.16 0.82 -0.51 4.01 4.49 2bb5B1 ALA 243 H 0.01 0.15 -0.23 -0.55 8.40 7.79 2bb5B1 ALA 243 HA 0.01 0.08 0.32 -0.75 4.34 3.99 2bb5B1 ALA 243 HB3 0.01 0.07 0.05 -0.04 1.41 1.50 2bb5B1 GLU 244 H 0.02 0.15 0.07 -0.55 8.60 8.29 2bb5B1 GLU 244 HA 0.03 0.06 0.32 -0.75 4.29 3.95 2bb5B1 GLU 244 HB2 0.02 0.00 0.15 -0.04 2.09 2.22 2bb5B1 GLU 244 HB3 0.04 0.10 0.01 -0.04 1.99 2.10 2bb5B1 GLU 244 HG2 0.02 -0.08 0.10 -0.04 2.34 2.34 2bb5B1 GLU 244 HG3 0.02 0.07 0.05 -0.04 2.34 2.45 2bb5B1 LEU 245 H 0.02 0.12 -0.12 -0.55 8.37 7.85 2bb5B1 LEU 245 HA 0.06 0.03 0.34 -0.75 4.35 4.03 2bb5B1 LEU 245 HB2 0.01 -0.08 -0.07 -0.04 1.64 1.45 2bb5B1 LEU 245 HB3 0.01 0.07 -0.17 -0.04 1.64 1.51 2bb5B1 LEU 245 HG 0.01 -0.03 0.06 -0.04 1.64 1.64 2bb5B1 LEU 245 HD13 -0.04 0.02 -0.01 -0.04 0.93 0.86 2bb5B1 LEU 245 HD23 0.01 -0.01 0.02 -0.04 0.89 0.87 2bb5B1 GLY 246 H 0.02 -0.02 -0.18 -0.55 8.43 7.70 2bb5B1 GLY 246 HA2 0.02 0.42 0.51 -0.51 4.01 4.45 2bb5B1 GLY 246 HA3 0.01 -0.04 0.38 -0.51 4.01 3.85 2bb5B1 THR 247 H 0.02 0.28 -0.07 -0.55 8.28 7.96 2bb5B1 THR 247 HA 0.01 0.06 0.40 -0.75 4.39 4.11 2bb5B1 THR 247 HB 0.00 -0.00 -0.01 -0.04 4.32 4.27 2bb5B1 THR 247 HG23 0.01 -0.01 0.01 -0.04 1.22 1.19 2bb5B1 ALA 248 H 0.04 0.45 0.01 -0.55 8.40 8.36 2bb5B1 ALA 248 HA 0.01 0.02 0.44 -0.75 4.34 4.05 2bb5B1 ALA 248 HB3 0.12 0.01 0.10 -0.04 1.41 1.59 2bb5B1 CYS 249 H 0.10 0.92 -0.01 -0.55 8.50 8.95 2bb5B1 CYS 249 HA 0.23 -0.02 0.44 -0.75 4.58 4.47 2bb5B1 CYS 249 HB2 0.07 0.20 0.11 -0.04 2.97 3.31 2bb5B1 CYS 249 HB3 0.05 0.13 -0.04 -0.04 2.97 3.07 2bb5B1 LEU 250 H 0.04 0.48 -0.10 -0.55 8.37 8.25 2bb5B1 LEU 250 HA 0.03 0.05 0.48 -0.75 4.35 4.16 2bb5B1 LEU 250 HB2 0.02 0.38 0.27 -0.04 1.64 2.27 2bb5B1 LEU 250 HB3 0.01 -0.04 0.06 -0.04 1.64 1.62 2bb5B1 LEU 250 HG 0.01 -0.10 0.13 -0.04 1.64 1.63 2bb5B1 LEU 250 HD13 0.02 0.01 0.11 -0.04 0.93 1.03 2bb5B1 LEU 250 HD23 0.01 -0.03 0.01 -0.04 0.89 0.84 2bb5B1 LYS 251 H 0.01 0.50 -0.23 -0.55 8.42 8.13 2bb5B1 LYS 251 HA -0.04 -0.02 0.58 -0.75 4.32 4.09 2bb5B1 LYS 251 HB2 -0.03 0.12 0.15 -0.04 1.87 2.07 2bb5B1 LYS 251 HB3 -0.08 0.18 0.17 -0.04 1.79 2.02 2bb5B1 LYS 251 HG2 -0.10 -0.07 -0.04 -0.04 1.46 1.21 2bb5B1 LYS 251 HG3 -0.06 -0.05 0.04 -0.04 1.46 1.35 2bb5B1 LYS 251 HD2 -0.12 0.07 -0.04 -0.04 1.69 1.55 2bb5B1 LYS 251 HD3 -0.08 0.01 -0.10 -0.04 1.68 1.47 2bb5B1 LYS 251 HE2 -0.04 -0.05 -0.04 -0.04 2.99 2.82 2bb5B1 LYS 251 HE3 -0.04 0.05 -0.08 -0.04 2.99 2.88 2bb5B1 ALA 252 H 0.00 0.49 -0.11 -0.55 8.40 8.24 2bb5B1 ALA 252 HA -0.12 0.07 0.28 -0.75 4.34 3.81 2bb5B1 ALA 252 HB3 0.20 0.05 0.09 -0.04 1.41 1.71 2bb5B1 ARG 253 H 0.02 0.38 -0.45 -0.55 8.46 7.86 2bb5B1 ARG 253 HA 0.02 -0.02 0.35 -0.75 4.34 3.92 2bb5B1 ARG 253 HB2 0.02 0.07 0.12 -0.04 1.90 2.08 2bb5B1 ARG 253 HB3 0.01 0.27 0.15 -0.04 1.80 2.18 2bb5B1 ARG 253 HG2 0.00 -0.14 -0.13 -0.04 1.67 1.36 2bb5B1 ARG 253 HG3 0.01 0.02 0.02 -0.04 1.67 1.68 2bb5B1 ARG 253 HD2 0.02 0.06 0.06 -0.04 3.22 3.31 2bb5B1 ARG 253 HD3 0.01 0.04 0.03 -0.04 3.22 3.26 2bb5B1 VAL 254 H -0.03 0.41 -0.18 -0.55 8.24 7.89 2bb5B1 VAL 254 HA -0.02 -0.03 0.44 -0.75 4.13 3.77 2bb5B1 VAL 254 HB -0.06 0.15 0.22 -0.04 2.12 2.39 2bb5B1 VAL 254 HG13 -0.03 -0.03 -0.02 -0.04 0.97 0.84 2bb5B1 VAL 254 HG23 -0.02 0.05 0.14 -0.04 0.95 1.08 2bb5B1 ALA 255 H -0.14 0.56 -0.01 -0.55 8.40 8.26 2bb5B1 ALA 255 HA -0.19 -0.00 0.36 -0.75 4.34 3.75 2bb5B1 ALA 255 HB3 -0.69 0.07 -0.18 -0.04 1.41 0.58 2bb5B1 LEU 256 H -0.08 0.70 -0.36 -0.55 8.37 8.09 2bb5B1 LEU 256 HA 0.26 -0.07 0.42 -0.75 4.35 4.20 2bb5B1 LEU 256 HB2 0.06 0.32 0.08 -0.04 1.64 2.07 2bb5B1 LEU 256 HB3 0.03 0.05 0.06 -0.04 1.64 1.75 2bb5B1 LEU 256 HG 0.24 -0.07 -0.01 -0.04 1.64 1.76 2bb5B1 LEU 256 HD13 0.04 0.01 -0.11 -0.04 0.93 0.83 2bb5B1 LEU 256 HD23 -0.06 -0.03 -0.08 -0.04 0.89 0.67 2bb5B1 LEU 257 H 0.01 0.97 0.13 -0.55 8.37 8.93 2bb5B1 LEU 257 HA 0.02 -0.07 0.40 -0.75 4.35 3.95 2bb5B1 LEU 257 HB2 0.00 0.33 0.22 -0.04 1.64 2.15 2bb5B1 LEU 257 HB3 0.00 0.03 0.10 -0.04 1.64 1.74 2bb5B1 LEU 257 HG 0.00 0.03 0.04 -0.04 1.64 1.68 2bb5B1 LEU 257 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 2bb5B1 LEU 257 HD23 0.01 -0.04 0.06 -0.04 0.89 0.89 2bb5B1 ALA 258 H 0.01 0.70 -0.21 -0.55 8.40 8.35 2bb5B1 ALA 258 HA 0.02 0.01 0.46 -0.75 4.34 4.08 2bb5B1 ALA 258 HB3 0.01 0.03 0.06 -0.04 1.41 1.46 2bb5B1 SER 259 H 0.10 0.51 -0.07 -0.55 8.46 8.44 2bb5B1 SER 259 HA 0.07 0.02 0.39 -0.75 4.49 4.21 2bb5B1 SER 259 HB2 0.24 0.13 0.13 -0.04 3.95 4.40 2bb5B1 SER 259 HB3 0.03 -0.15 0.07 -0.04 3.93 3.85 2bb5B1 LEU 260 H 0.12 0.62 -0.26 -0.55 8.37 8.31 2bb5B1 LEU 260 HA 0.24 -0.07 0.43 -0.75 4.35 4.19 2bb5B1 LEU 260 HB2 0.07 0.22 0.04 -0.04 1.64 1.93 2bb5B1 LEU 260 HB3 0.05 0.07 0.09 -0.04 1.64 1.81 2bb5B1 LEU 260 HG 0.02 -0.01 -0.05 -0.04 1.64 1.56 2bb5B1 LEU 260 HD13 -0.07 -0.02 0.00 -0.04 0.93 0.79 2bb5B1 LEU 260 HD23 -0.07 -0.00 -0.09 -0.04 0.89 0.68 2bb5B1 GLN 261 H 0.06 0.59 -0.03 -0.55 8.47 8.54 2bb5B1 GLN 261 HA 0.06 0.06 0.56 -0.75 4.36 4.28 2bb5B1 GLN 261 HB2 0.04 -0.05 0.19 -0.04 2.15 2.29 2bb5B1 GLN 261 HB3 0.04 -0.06 0.13 -0.04 2.02 2.09 2bb5B1 GLN 261 HG2 0.04 0.26 0.17 -0.04 2.40 2.82 2bb5B1 GLN 261 HG3 0.03 -0.06 -0.01 -0.04 2.39 2.31 2bb5B1 GLN 261 HE21 0.02 -0.06 -0.01 -0.04 6.97 6.89 2bb5B1 GLN 261 HE22 0.03 -0.05 0.05 -0.04 7.69 7.67 2bb5B1 ASP 262 H 0.07 0.10 -1.03 -0.55 8.40 7.00 2bb5B1 ASP 262 HA 0.04 0.15 0.84 -0.75 4.63 4.91 2bb5B1 ASP 262 HB2 0.04 0.24 0.06 -0.04 2.71 3.01 2bb5B1 ASP 262 HB3 0.04 -0.03 0.05 -0.04 2.70 2.72 2bb5B1 GLY 263 H 0.09 0.32 -0.03 -0.55 8.43 8.26 2bb5B1 GLY 263 HA2 0.09 0.05 0.28 -0.51 4.01 3.93 2bb5B1 GLY 263 HA3 0.06 0.13 0.56 -0.51 4.01 4.25 2bb5B1 ALA 264 H 0.09 0.52 0.09 -0.55 8.40 8.55 2bb5B1 ALA 264 HA 0.01 0.07 0.35 -0.75 4.34 4.01 2bb5B1 ALA 264 HB3 -0.14 -0.01 0.03 -0.04 1.41 1.25 2bb5B1 PHE 265 H 0.24 0.14 -0.46 -0.55 8.34 7.70 2bb5B1 PHE 265 HA 0.15 0.08 0.81 -0.75 4.62 4.90 2bb5B1 PHE 265 HB2 0.04 0.04 0.07 -0.04 3.15 3.25 2bb5B1 PHE 265 HB3 0.03 0.01 0.02 -0.04 3.06 3.09 2bb5B1 PHE 265 HD2 0.07 -0.04 -0.23 -0.04 7.28 7.04 2bb5B1 PHE 265 HE2 0.08 0.01 -0.07 -0.04 7.38 7.36 2bb5B1 PHE 265 HZ 0.03 0.13 -0.01 -0.04 7.32 7.43 2bb5B1 GLN 266 H -0.00 0.22 -0.08 -0.55 8.47 8.06 2bb5B1 GLN 266 HA -0.28 0.19 0.63 -0.75 4.36 4.14 2bb5B1 GLN 266 HB2 -0.02 -0.07 0.12 -0.04 2.15 2.14 2bb5B1 GLN 266 HB3 -0.01 -0.02 0.03 -0.04 2.02 1.98 2bb5B1 GLN 266 HG2 -0.01 0.25 -0.03 -0.04 2.40 2.57 2bb5B1 GLN 266 HG3 0.00 0.02 0.05 -0.04 2.39 2.42 2bb5B1 GLN 266 HE21 0.20 -0.02 0.04 -0.04 6.97 7.15 2bb5B1 GLN 266 HE22 0.04 -0.04 0.05 -0.04 7.69 7.70 2bb5B1 ASN 267 H -0.04 0.04 0.05 -0.55 8.53 8.03 2bb5B1 ASN 267 HA 0.02 0.11 0.39 -0.75 4.76 4.53 2bb5B1 ASN 267 HB2 -0.11 0.05 0.15 -0.04 2.88 2.92 2bb5B1 ASN 267 HB3 -0.11 -0.04 0.14 -0.04 2.79 2.73 2bb5B1 ASN 267 HD21 -0.07 0.25 0.08 -0.04 7.03 7.24 2bb5B1 ASN 267 HD22 -0.02 0.04 0.08 -0.04 7.74 7.79 2bb5B1 ALA 268 H -0.01 0.20 0.19 -0.55 8.40 8.23 2bb5B1 ALA 268 HA 0.03 0.16 0.31 -0.75 4.34 4.09 2bb5B1 ALA 268 HB3 -0.40 0.04 0.10 -0.04 1.41 1.10 2bb5B1 LEU 269 H -0.13 0.12 -0.09 -0.55 8.37 7.73 2bb5B1 LEU 269 HA -0.04 0.07 0.34 -0.75 4.35 3.96 2bb5B1 LEU 269 HB2 -0.09 0.40 0.13 -0.04 1.64 2.04 2bb5B1 LEU 269 HB3 -0.07 -0.08 0.07 -0.04 1.64 1.52 2bb5B1 LEU 269 HG 0.01 0.03 -0.36 -0.04 1.64 1.28 2bb5B1 LEU 269 HD13 0.02 -0.00 -0.08 -0.04 0.93 0.82 2bb5B1 LEU 269 HD23 -0.05 -0.02 -0.23 -0.04 0.89 0.55 2bb5B1 MET 270 H -0.00 0.06 -0.32 -0.55 8.47 7.66 2bb5B1 MET 270 HA 0.13 0.07 0.39 -0.75 4.52 4.35 2bb5B1 MET 270 HB2 0.06 0.06 0.06 -0.04 2.15 2.29 2bb5B1 MET 270 HB3 0.33 0.04 -0.01 -0.04 2.03 2.35 2bb5B1 MET 270 HG2 -0.10 -0.09 0.01 -0.04 2.63 2.40 2bb5B1 MET 270 HG3 -0.36 0.02 0.05 -0.04 2.56 2.24 2bb5B1 MET 270 HE3 0.36 0.06 0.09 -0.04 2.10 2.57 2bb5B1 ILE 271 H 0.10 0.52 -0.24 -0.55 8.25 8.07 2bb5B1 ILE 271 HA 0.06 0.03 0.48 -0.75 4.18 4.01 2bb5B1 ILE 271 HB 0.06 0.10 0.06 -0.04 1.89 2.08 2bb5B1 ILE 271 HG12 0.10 -0.00 -0.04 -0.04 1.49 1.51 2bb5B1 ILE 271 HG13 0.16 -0.09 -0.21 -0.04 1.21 1.02 2bb5B1 ILE 271 HG23 0.04 0.02 -0.18 -0.04 0.93 0.77 2bb5B1 ILE 271 HD13 0.06 0.02 -0.32 -0.04 0.88 0.60 2bb5B1 SER 272 H 0.04 0.41 -0.26 -0.55 8.46 8.10 2bb5B1 SER 272 HA 0.02 0.07 0.38 -0.75 4.49 4.20 2bb5B1 SER 272 HB2 0.05 0.19 0.09 -0.04 3.95 4.23 2bb5B1 SER 272 HB3 0.01 -0.03 0.05 -0.04 3.93 3.92 2bb5B1 GLN 273 H 0.07 0.16 -0.61 -0.55 8.47 7.55 2bb5B1 GLN 273 HA 0.04 0.17 0.74 -0.75 4.36 4.55 2bb5B1 GLN 273 HB2 0.11 0.08 0.06 -0.04 2.15 2.36 2bb5B1 GLN 273 HB3 0.07 -0.10 -0.02 -0.04 2.02 1.92 2bb5B1 GLN 273 HG2 0.17 0.03 -0.11 -0.04 2.40 2.45 2bb5B1 GLN 273 HG3 0.11 0.19 -0.08 -0.04 2.39 2.56 2bb5B1 GLN 273 HE21 0.28 -0.06 -0.07 -0.04 6.97 7.08 2bb5B1 GLN 273 HE22 0.26 0.02 -0.08 -0.04 7.69 7.84 2bb5B1 LEU 274 H -0.00 0.25 -0.18 -0.55 8.37 7.88 2bb5B1 LEU 274 HA -0.07 0.07 0.70 -0.75 4.35 4.29 2bb5B1 LEU 274 HB2 -0.24 -0.04 0.07 -0.04 1.64 1.40 2bb5B1 LEU 274 HB3 -0.22 0.10 0.18 -0.04 1.64 1.66 2bb5B1 LEU 274 HG -0.23 0.02 -0.25 -0.04 1.64 1.13 2bb5B1 LEU 274 HD13 -0.18 -0.01 -0.01 -0.04 0.93 0.69 2bb5B1 LEU 274 HD23 -0.93 -0.01 -0.04 -0.04 0.89 -0.14 2bb5B1 LEU 275 H -0.05 0.52 0.04 -0.55 8.37 8.33 2bb5B1 LEU 275 HA -0.08 -0.06 0.28 -0.75 4.35 3.73 2bb5B1 LEU 275 HB2 -0.03 0.04 0.05 -0.04 1.64 1.66 2bb5B1 LEU 275 HB3 -0.04 0.09 -0.12 -0.04 1.64 1.53 2bb5B1 LEU 275 HG -0.04 0.05 -0.01 -0.04 1.64 1.60 2bb5B1 LEU 275 HD13 -0.01 -0.02 -0.19 -0.04 0.93 0.66 2bb5B1 LEU 275 HD23 -0.05 -0.03 -0.01 -0.04 0.89 0.76 2bb5B1 PRO 276 HA -0.05 0.33 0.24 -0.51 4.44 4.44 2bb5B1 PRO 276 HB2 -0.12 0.05 -0.17 -0.04 2.28 2.00 2bb5B1 PRO 276 HB3 -0.03 0.02 -0.25 -0.04 2.02 1.72 2bb5B1 PRO 276 HG2 -0.05 -0.03 -0.13 -0.04 2.03 1.79 2bb5B1 PRO 276 HG3 0.03 0.13 -0.11 -0.04 2.03 2.03 2bb5B1 PRO 276 HD2 -0.06 -0.02 -0.82 -0.04 3.68 2.73 2bb5B1 PRO 276 HD3 -0.02 0.09 -0.17 -0.04 3.65 3.52 2bb5B1 VAL 277 H -0.09 0.13 -0.30 -0.55 8.24 7.42 2bb5B1 VAL 277 HA -0.07 0.11 0.41 -0.75 4.13 3.83 2bb5B1 VAL 277 HB -0.08 0.13 0.20 -0.04 2.12 2.33 2bb5B1 VAL 277 HG13 -0.04 -0.03 -0.14 -0.04 0.97 0.73 2bb5B1 VAL 277 HG23 -0.08 0.02 0.07 -0.04 0.95 0.93 2bb5B1 LEU 278 H -0.11 0.63 -0.10 -0.55 8.37 8.24 2bb5B1 LEU 278 HA -0.14 -0.01 0.33 -0.75 4.35 3.79 2bb5B1 LEU 278 HB2 -0.11 0.14 0.06 -0.04 1.64 1.68 2bb5B1 LEU 278 HB3 -0.11 -0.10 0.03 -0.04 1.64 1.42 2bb5B1 LEU 278 HG -0.14 0.04 -0.11 -0.04 1.64 1.40 2bb5B1 LEU 278 HD13 -0.10 -0.04 -0.06 -0.04 0.93 0.69 2bb5B1 LEU 278 HD23 -0.09 -0.02 -0.03 -0.04 0.89 0.71 2bb5B1 ASN 279 H -0.16 0.44 -0.81 -0.55 8.53 7.45 2bb5B1 ASN 279 HA -0.36 0.05 0.85 -0.75 4.76 4.54 2bb5B1 ASN 279 HB2 -0.10 -0.22 0.02 -0.04 2.88 2.53 2bb5B1 ASN 279 HB3 -0.08 0.31 0.18 -0.04 2.79 3.16 2bb5B1 ASN 279 HD21 -0.00 -0.06 -0.10 -0.04 7.03 6.82 2bb5B1 ASN 279 HD22 -0.02 0.29 -0.03 -0.04 7.74 7.94 2bb5B1 HIS 280 H -0.37 0.43 -0.11 -0.55 8.41 7.82 2bb5B1 HIS 280 HA -0.02 0.01 0.36 -0.75 4.63 4.22 2bb5B1 HIS 280 HB2 -0.01 0.04 0.26 -0.04 3.26 3.51 2bb5B1 HIS 280 HB3 -0.02 -0.04 0.16 -0.04 3.20 3.26 2bb5B1 HIS 280 HD2 -0.01 0.07 0.02 -0.04 6.97 7.01 2bb5B1 HIS 280 HE1 -0.01 -0.09 -0.03 -0.04 7.75 7.57 2bb5B1 LYS 281 H -0.05 0.59 -0.08 -0.55 8.42 8.33 2bb5B1 LYS 281 HA 0.02 0.10 0.90 -0.75 4.32 4.58 2bb5B1 LYS 281 HB2 -0.03 0.07 0.07 -0.04 1.87 1.95 2bb5B1 LYS 281 HB3 0.00 -0.10 0.03 -0.04 1.79 1.68 2bb5B1 LYS 281 HG2 0.02 0.22 -0.36 -0.04 1.46 1.29 2bb5B1 LYS 281 HG3 -0.01 0.27 0.05 -0.04 1.46 1.73 2bb5B1 LYS 281 HD2 0.02 -0.09 0.06 -0.04 1.69 1.64 2bb5B1 LYS 281 HD3 0.03 -0.02 0.08 -0.04 1.68 1.73 2bb5B1 LYS 281 HE2 0.03 0.06 0.01 -0.04 2.99 3.05 2bb5B1 LYS 281 HE3 0.01 0.05 0.03 -0.04 2.99 3.05 2bb5B1 THR 282 H 0.01 0.14 0.15 -0.55 8.28 8.03 2bb5B1 THR 282 HA -0.12 0.21 0.76 -0.75 4.39 4.49 2bb5B1 THR 282 HB -0.04 -0.09 0.11 -0.04 4.32 4.25 2bb5B1 THR 282 HG23 -0.04 0.06 -0.22 -0.04 1.22 0.97 2bb5B1 TYR 283 H -0.10 0.18 0.08 -0.55 8.29 7.90 2bb5B1 TYR 283 HA -0.01 0.20 0.56 -0.75 4.56 4.56 2bb5B1 TYR 283 HB2 0.00 -0.01 0.02 -0.04 3.06 3.03 2bb5B1 TYR 283 HB3 -0.01 0.03 0.02 -0.04 2.98 2.98 2bb5B1 TYR 283 HD2 -0.00 0.04 -0.10 -0.04 7.15 7.05 2bb5B1 TYR 283 HE2 0.03 0.02 -0.10 -0.04 6.85 6.75 2bb5B1 ILE 284 H 0.07 0.08 -0.28 -0.55 8.25 7.57 2bb5B1 ILE 284 HA 0.03 0.14 0.49 -0.75 4.18 4.08 2bb5B1 ILE 284 HB 0.03 0.03 0.01 -0.04 1.89 1.92 2bb5B1 ILE 284 HG12 0.07 -0.09 -0.03 -0.04 1.49 1.40 2bb5B1 ILE 284 HG13 0.05 0.04 -0.01 -0.04 1.21 1.25 2bb5B1 ILE 284 HG23 0.02 0.03 -0.11 -0.04 0.93 0.83 2bb5B1 ILE 284 HD13 0.05 0.05 -0.05 -0.04 0.88 0.88 2bb5B1 ASP 285 H 0.04 0.15 -0.36 -0.55 8.40 7.68 2bb5B1 ASP 285 HA 0.04 0.09 0.45 -0.75 4.63 4.45 2bb5B1 ASP 285 HB2 0.04 0.24 0.10 -0.04 2.71 3.04 2bb5B1 ASP 285 HB3 0.03 0.05 0.09 -0.04 2.70 2.83 2bb5B1 LEU 286 H 0.02 0.20 -0.94 -0.55 8.37 7.10 2bb5B1 LEU 286 HA -0.05 0.14 0.48 -0.75 4.35 4.17 2bb5B1 LEU 286 HB2 -0.04 0.19 0.04 -0.04 1.64 1.79 2bb5B1 LEU 286 HB3 -0.10 -0.04 0.08 -0.04 1.64 1.54 2bb5B1 LEU 286 HG 0.07 -0.05 -0.04 -0.04 1.64 1.58 2bb5B1 LEU 286 HD13 -0.08 -0.02 0.02 -0.04 0.93 0.81 2bb5B1 LEU 286 HD23 -0.01 0.01 -0.17 -0.04 0.89 0.68 2bb5B1 ILE 287 H -0.10 0.38 -0.38 -0.55 8.25 7.60 2bb5B1 ILE 287 HA -0.25 0.12 0.72 -0.75 4.18 4.03 2bb5B1 ILE 287 HB -0.38 0.01 0.12 -0.04 1.89 1.60 2bb5B1 ILE 287 HG12 -0.13 0.00 0.01 -0.04 1.49 1.34 2bb5B1 ILE 287 HG13 -0.10 0.01 0.07 -0.04 1.21 1.15 2bb5B1 ILE 287 HG23 -0.96 -0.01 -0.07 -0.04 0.93 -0.15 2bb5B1 ILE 287 HD13 -0.06 -0.03 0.01 -0.04 0.88 0.76 2bb5B1 PHE 288 H -0.08 0.11 -0.17 -0.55 8.34 7.65 2bb5B1 PHE 288 HA 0.00 0.21 0.80 -0.75 4.62 4.88 2bb5B1 PHE 288 HB2 0.01 -0.04 0.17 -0.04 3.15 3.26 2bb5B1 PHE 288 HB3 0.01 -0.02 0.08 -0.04 3.06 3.09 2bb5B1 PHE 288 HD2 0.03 0.03 -0.00 -0.04 7.28 7.30 2bb5B1 PHE 288 HE2 0.04 -0.02 -0.02 -0.04 7.38 7.35 2bb5B1 PHE 288 HZ 0.03 -0.01 -0.01 -0.04 7.32 7.29 2bb5B1 PRO 289 HA 0.03 0.16 0.52 -0.51 4.44 4.64 2bb5B1 PRO 289 HB2 -0.02 0.00 -0.12 -0.04 2.28 2.11 2bb5B1 PRO 289 HB3 -0.03 0.02 0.01 -0.04 2.02 1.98 2bb5B1 PRO 289 HG2 -0.05 -0.11 0.03 -0.04 2.03 1.86 2bb5B1 PRO 289 HG3 -0.11 0.19 0.04 -0.04 2.03 2.11 2bb5B1 PRO 289 HD2 0.01 0.03 0.03 -0.04 3.68 3.71 2bb5B1 PRO 289 HD3 -0.08 0.23 -0.65 -0.04 3.65 3.11 2bb5B1 ASP 290 H 0.02 0.25 0.15 -0.55 8.40 8.27 2bb5B1 ASP 290 HA 0.02 0.08 0.90 -0.75 4.63 4.88 2bb5B1 ASP 290 HB2 0.03 0.08 0.10 -0.04 2.71 2.87 2bb5B1 ASP 290 HB3 0.01 0.11 0.25 -0.04 2.70 3.03 2bb5B1 CYS 291 H 0.01 0.21 0.06 -0.55 8.50 8.24 2bb5B1 CYS 291 HA -0.00 0.26 0.57 -0.75 4.58 4.66 2bb5B1 CYS 291 HB2 0.01 -0.04 0.03 -0.04 2.97 2.92 2bb5B1 CYS 291 HB3 0.01 -0.03 0.03 -0.04 2.97 2.94 2bb5B1 LEU 292 H 0.01 -0.02 -0.17 -0.55 8.37 7.65 2bb5B1 LEU 292 HA 0.00 0.20 0.77 -0.75 4.35 4.57 2bb5B1 LEU 292 HB2 0.01 -0.03 0.03 -0.04 1.64 1.61 2bb5B1 LEU 292 HB3 0.01 -0.01 0.03 -0.04 1.64 1.62 2bb5B1 LEU 292 HG 0.01 0.01 -0.16 -0.04 1.64 1.45 2bb5B1 LEU 292 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 2bb5B1 LEU 292 HD23 0.01 0.00 0.01 -0.04 0.89 0.87 2bb5B1 ALA 293 H 0.00 0.05 -0.31 -0.55 8.40 7.59 2bb5B1 ALA 293 HA 0.00 0.00 0.46 -0.75 4.34 4.05 2bb5B1 ALA 293 HB3 0.00 0.05 0.08 -0.04 1.41 1.50 2bb5B1 PRO 294 HA -0.01 0.07 0.38 -0.51 4.44 4.38 2bb5B1 PRO 294 HB2 -0.00 -0.03 -0.06 -0.04 2.28 2.15 2bb5B1 PRO 294 HB3 -0.00 -0.03 0.05 -0.04 2.02 2.00 2bb5B1 PRO 294 HG2 0.00 -0.05 0.08 -0.04 2.03 2.02 2bb5B1 PRO 294 HG3 0.00 0.07 0.11 -0.04 2.03 2.17 2bb5B1 PRO 294 HD2 0.00 0.07 0.19 -0.04 3.68 3.91 2bb5B1 PRO 294 HD3 0.00 0.06 0.28 -0.04 3.65 3.95 2bb5B1 ARG 295 H -0.01 0.17 0.11 -0.55 8.46 8.18 2bb5B1 ARG 295 HA -0.02 0.18 0.65 -0.75 4.34 4.40 2bb5B1 ARG 295 HB2 -0.03 -0.16 -0.32 -0.04 1.90 1.35 2bb5B1 ARG 295 HB3 -0.03 -0.04 -0.80 -0.04 1.80 0.89 2bb5B1 ARG 295 HG2 -0.03 0.17 -0.19 -0.04 1.67 1.58 2bb5B1 ARG 295 HG3 -0.02 -0.01 -0.55 -0.04 1.67 1.05 2bb5B1 ARG 295 HD2 -0.05 0.21 -0.26 -0.04 3.22 3.08 2bb5B1 ARG 295 HD3 -0.04 0.29 -0.06 -0.04 3.22 3.36 2bb5B1 VAL 296 H -0.02 0.44 0.21 -0.55 8.24 8.32 2bb5B1 VAL 296 HA -0.01 -0.02 0.49 -0.75 4.13 3.83 2bb5B1 VAL 296 HB -0.02 -0.01 0.14 -0.04 2.12 2.20 2bb5B1 VAL 296 HG13 -0.03 0.07 0.00 -0.04 0.97 0.97 2bb5B1 VAL 296 HG23 -0.01 0.00 0.07 -0.04 0.95 0.97 2bb5B1 MET 297 H -0.01 0.02 0.18 -0.55 8.47 8.10 2bb5B1 MET 297 HA -0.02 0.25 0.52 -0.75 4.52 4.52 2bb5B1 MET 297 HB2 -0.01 -0.08 0.12 -0.04 2.15 2.14 2bb5B1 MET 297 HB3 -0.01 0.02 -0.07 -0.04 2.03 1.93 2bb5B1 MET 297 HG2 -0.01 0.02 0.04 -0.04 2.63 2.65 2bb5B1 MET 297 HG3 -0.00 -0.06 0.04 -0.04 2.56 2.49 2bb5B1 MET 297 HE3 -0.00 -0.02 0.08 -0.04 2.10 2.11 2bb5B1 LEU 298 H -0.02 0.40 0.25 -0.55 8.37 8.46 2bb5B1 LEU 298 HA -0.04 0.10 0.88 -0.75 4.35 4.55 2bb5B1 LEU 298 HB2 -0.02 0.04 0.11 -0.04 1.64 1.72 2bb5B1 LEU 298 HB3 -0.02 0.02 -0.11 -0.04 1.64 1.49 2bb5B1 LEU 298 HG -0.03 0.05 -0.21 -0.04 1.64 1.41 2bb5B1 LEU 298 HD13 -0.02 -0.02 -0.29 -0.04 0.93 0.56 2bb5B1 LEU 298 HD23 -0.04 -0.02 -0.11 -0.04 0.89 0.68 2bb5B1 GLU 299 H -0.03 0.12 0.03 -0.55 8.60 8.18 2bb5B1 GLU 299 HA -0.01 0.09 0.63 -0.75 4.29 4.25 2bb5B1 GLU 299 HB2 -0.01 -0.00 -0.00 -0.04 2.09 2.04 2bb5B1 GLU 299 HB3 -0.00 0.07 0.04 -0.04 1.99 2.06 2bb5B1 GLU 299 HG2 -0.01 -0.03 -0.04 -0.04 2.34 2.22 2bb5B1 GLU 299 HG3 0.00 -0.00 -0.01 -0.04 2.34 2.29 2bb5B1 PRO 300 HA -0.02 0.01 0.47 -0.51 4.44 4.39 2bb5B1 PRO 300 HB2 -0.01 0.03 -0.03 -0.04 2.28 2.23 2bb5B1 PRO 300 HB3 -0.02 -0.02 0.07 -0.04 2.02 2.02 2bb5B1 PRO 300 HG2 -0.01 0.02 0.07 -0.04 2.03 2.08 2bb5B1 PRO 300 HG3 -0.01 0.04 0.08 -0.04 2.03 2.11 2bb5B1 PRO 300 HD2 -0.01 0.09 0.18 -0.04 3.68 3.90 2bb5B1 PRO 300 HD3 -0.01 0.17 0.25 -0.04 3.65 4.02 2bb5B1 ALA 301 H -0.03 0.12 0.17 -0.55 8.40 8.11 2bb5B1 ALA 301 HA -0.03 0.12 0.42 -0.75 4.34 4.10 2bb5B1 ALA 301 HB3 -0.06 -0.01 0.11 -0.04 1.41 1.41 2bb5B1 ALA 302 H -0.03 0.06 -0.04 -0.55 8.40 7.84 2bb5B1 ALA 302 HA -0.02 -0.02 0.27 -0.75 4.34 3.81 2bb5B1 ALA 302 HB3 -0.02 0.05 -0.12 -0.04 1.41 1.28 2bb5B1 GLU 303 H -0.02 -0.26 -0.05 -0.55 8.60 7.73 2bb5B1 GLU 303 HA -0.01 0.06 0.28 -0.75 4.29 3.86 2bb5B1 GLU 303 HB2 -0.01 -0.07 0.11 -0.04 2.09 2.09 2bb5B1 GLU 303 HB3 -0.01 0.11 0.22 -0.04 1.99 2.28 2bb5B1 GLU 303 HG2 -0.00 -0.07 -0.07 -0.04 2.34 2.15 2bb5B1 GLU 303 HG3 -0.01 0.31 -0.27 -0.04 2.34 2.33 2bb5B1 THR 304 H -0.02 -0.20 0.03 -0.55 8.28 7.54 2bb5B1 THR 304 HA -0.01 -0.01 0.29 -0.75 4.39 3.90 2bb5B1 THR 304 HB -0.02 -0.06 0.05 -0.04 4.32 4.25 2bb5B1 THR 304 HG23 -0.01 0.01 -0.24 -0.04 1.22 0.94 2bb5B1 ILE 305 H -0.00 0.03 0.12 -0.55 8.25 7.84 2bb5B1 ILE 305 HA -0.00 0.14 0.50 -0.75 4.18 4.07 2bb5B1 ILE 305 HB 0.00 -0.06 0.13 -0.04 1.89 1.92 2bb5B1 ILE 305 HG12 -0.00 0.04 0.05 -0.04 1.49 1.54 2bb5B1 ILE 305 HG13 -0.00 -0.02 0.09 -0.04 1.21 1.24 2bb5B1 ILE 305 HG23 0.00 -0.00 -0.15 -0.04 0.93 0.74 2bb5B1 ILE 305 HD13 0.00 -0.01 0.01 -0.04 0.88 0.85 2bb5B1 PRO 306 HA -0.00 -0.02 0.44 -0.51 4.44 4.35 2bb5B1 PRO 306 HB2 -0.00 0.01 0.14 -0.04 2.28 2.38 2bb5B1 PRO 306 HB3 -0.01 -0.02 0.09 -0.04 2.02 2.04 2bb5B1 PRO 306 HG2 -0.00 -0.04 0.10 -0.04 2.03 2.05 2bb5B1 PRO 306 HG3 -0.01 0.12 0.10 -0.04 2.03 2.20 2bb5B1 PRO 306 HD2 -0.00 0.02 0.19 -0.04 3.68 3.85 2bb5B1 PRO 306 HD3 -0.00 0.19 0.29 -0.04 3.65 4.09 2bb5B1 GLN 307 H -0.00 0.07 0.17 -0.55 8.47 8.17 2bb5B1 GLN 307 HA 0.00 0.06 0.16 -0.75 4.36 3.82 2bb5B1 GLN 307 HB2 0.00 0.05 0.13 -0.04 2.15 2.29 2bb5B1 GLN 307 HB3 0.00 0.03 -0.00 -0.04 2.02 2.01 2bb5B1 GLN 307 HG2 0.00 -0.33 0.16 -0.04 2.40 2.19 2bb5B1 GLN 307 HG3 0.00 0.02 0.04 -0.04 2.39 2.41 2bb5B1 GLN 307 HE21 -0.00 -0.05 -0.11 -0.04 6.97 6.77 2bb5B1 GLN 307 HE22 -0.00 0.02 0.04 -0.04 7.69 7.71 2bb5B1 THR 308 H -0.00 0.09 0.12 -0.55 8.28 7.94 2bb5B1 THR 308 HA -0.00 0.15 0.67 -0.75 4.39 4.46 2bb5B1 THR 308 HB -0.00 0.01 0.04 -0.04 4.32 4.33 2bb5B1 THR 308 HG23 -0.00 -0.01 0.00 -0.04 1.22 1.16 2bb5B1 GLN 309 H -0.00 0.12 0.16 -0.55 8.47 8.20 2bb5B1 GLN 309 HA -0.00 0.07 0.60 -0.75 4.36 4.27 2bb5B1 GLN 309 HB2 -0.00 0.01 0.16 -0.04 2.15 2.28 2bb5B1 GLN 309 HB3 -0.00 -0.01 -0.05 -0.04 2.02 1.92 2bb5B1 GLN 309 HG2 -0.00 0.00 0.01 -0.04 2.40 2.37 2bb5B1 GLN 309 HG3 -0.00 -0.05 0.03 -0.04 2.39 2.32 2bb5B1 GLN 309 HE21 -0.00 0.04 -0.02 -0.04 6.97 6.94 2bb5B1 GLN 309 HE22 -0.00 -0.02 -0.00 -0.04 7.69 7.63 2bb5B1 GLU 310 H -0.00 0.14 0.11 -0.55 8.60 8.30 2bb5B1 GLU 310 HA -0.00 0.06 0.46 -0.75 4.29 4.05 2bb5B1 GLU 310 HB2 -0.00 0.18 -0.10 -0.04 2.09 2.12 2bb5B1 GLU 310 HB3 -0.00 -0.06 0.05 -0.04 1.99 1.94 2bb5B1 GLU 310 HG2 -0.00 0.03 -0.33 -0.04 2.34 1.99 2bb5B1 GLU 310 HG3 -0.00 0.03 0.01 -0.04 2.34 2.33 2bb5B1 ILE 311 H -0.00 0.16 0.09 -0.55 8.25 7.95 2bb5B1 ILE 311 HA -0.00 0.13 0.66 -0.75 4.18 4.22 2bb5B1 ILE 311 HB -0.00 -0.02 0.16 -0.04 1.89 1.98 2bb5B1 ILE 311 HG12 -0.00 -0.12 -0.02 -0.04 1.49 1.30 2bb5B1 ILE 311 HG13 -0.00 0.02 -0.00 -0.04 1.21 1.19 2bb5B1 ILE 311 HG23 -0.00 0.01 -0.19 -0.04 0.93 0.71 2bb5B1 ILE 311 HD13 -0.00 0.01 -0.11 -0.04 0.88 0.74 2bb5B1 ILE 312 H -0.00 0.55 0.37 -0.55 8.25 8.62 2bb5B1 ILE 312 HA -0.00 0.18 0.98 -0.75 4.18 4.58 2bb5B1 ILE 312 HB -0.00 -0.08 0.07 -0.04 1.89 1.83 2bb5B1 ILE 312 HG12 -0.01 -0.02 -0.21 -0.04 1.49 1.22 2bb5B1 ILE 312 HG13 -0.01 -0.00 -0.30 -0.04 1.21 0.86 2bb5B1 ILE 312 HG23 -0.01 0.00 -0.09 -0.04 0.93 0.79 2bb5B1 ILE 312 HD13 -0.01 0.01 -0.31 -0.04 0.88 0.53 2bb5B1 SER 313 H -0.00 0.10 0.21 -0.55 8.46 8.23 2bb5B1 SER 313 HA -0.01 0.27 1.11 -0.75 4.49 5.11 2bb5B1 SER 313 HB2 -0.01 0.04 -0.08 -0.04 3.95 3.86 2bb5B1 SER 313 HB3 -0.01 -0.06 0.08 -0.04 3.93 3.90 2bb5B1 VAL 314 H -0.01 0.99 0.32 -0.55 8.24 8.99 2bb5B1 VAL 314 HA 0.00 0.16 0.90 -0.75 4.13 4.43 2bb5B1 VAL 314 HB -0.01 -0.02 -0.04 -0.04 2.12 2.01 2bb5B1 VAL 314 HG13 0.01 -0.00 -0.28 -0.04 0.97 0.65 2bb5B1 VAL 314 HG23 0.01 -0.01 -0.32 -0.04 0.95 0.60 2bb5B1 THR 315 H -0.00 0.60 0.22 -0.55 8.28 8.55 2bb5B1 THR 315 HA -0.02 0.06 0.67 -0.75 4.39 4.34 2bb5B1 THR 315 HB -0.00 -0.07 0.10 -0.04 4.32 4.31 2bb5B1 THR 315 HG23 -0.02 -0.00 -0.24 -0.04 1.22 0.92 2bb5B1 LEU 316 H -0.02 0.46 0.34 -0.55 8.37 8.60 2bb5B1 LEU 316 HA -0.01 0.17 0.98 -0.75 4.35 4.73 2bb5B1 LEU 316 HB2 -0.10 -0.03 0.04 -0.04 1.64 1.51 2bb5B1 LEU 316 HB3 -0.05 0.07 0.22 -0.04 1.64 1.83 2bb5B1 LEU 316 HG -0.06 -0.01 -0.35 -0.04 1.64 1.18 2bb5B1 LEU 316 HD13 -0.12 0.02 -0.05 -0.04 0.93 0.74 2bb5B1 LEU 316 HD23 -0.76 -0.01 -0.10 -0.04 0.89 -0.01 2bb5B1 GLN 317 H 0.04 0.81 0.40 -0.55 8.47 9.17 2bb5B1 GLN 317 HA 0.19 0.22 0.98 -0.75 4.36 4.99 2bb5B1 GLN 317 HB2 0.06 0.08 0.02 -0.04 2.15 2.28 2bb5B1 GLN 317 HB3 0.03 -0.05 -0.17 -0.04 2.02 1.79 2bb5B1 GLN 317 HG2 0.03 0.01 -0.17 -0.04 2.40 2.23 2bb5B1 GLN 317 HG3 0.05 -0.09 -0.01 -0.04 2.39 2.30 2bb5B1 GLN 317 HE21 0.03 0.00 -0.10 -0.04 6.97 6.86 2bb5B1 GLN 317 HE22 0.05 -0.04 -0.17 -0.04 7.69 7.49 2bb5B1 VAL 318 H 0.29 0.86 0.31 -0.55 8.24 9.16 2bb5B1 VAL 318 HA 0.16 0.10 1.05 -0.75 4.13 4.68 2bb5B1 VAL 318 HB 0.18 -0.05 0.26 -0.04 2.12 2.47 2bb5B1 VAL 318 HG13 0.18 0.13 -0.03 -0.04 0.97 1.21 2bb5B1 VAL 318 HG23 0.08 -0.04 -0.10 -0.04 0.95 0.85 2bb5B1 LEU 319 H 0.12 0.08 -0.00 -0.55 8.37 8.03 2bb5B1 LEU 319 HA 0.09 0.16 0.73 -0.75 4.35 4.58 2bb5B1 LEU 319 HB2 0.06 0.01 0.12 -0.04 1.64 1.79 2bb5B1 LEU 319 HB3 0.05 -0.02 0.19 -0.04 1.64 1.82 2bb5B1 LEU 319 HG 0.07 -0.03 -0.06 -0.04 1.64 1.58 2bb5B1 LEU 319 HD13 0.03 0.00 -0.02 -0.04 0.93 0.90 2bb5B1 LEU 319 HD23 0.05 0.03 -0.09 -0.04 0.89 0.83 2bb5B1 SER 320 H 0.05 0.11 0.10 -0.55 8.46 8.18 2bb5B1 SER 320 HA 0.03 0.02 0.30 -0.75 4.49 4.08 2bb5B1 SER 320 HB2 -0.08 0.06 0.22 -0.04 3.95 4.12 2bb5B1 SER 320 HB3 -0.02 -0.03 0.07 -0.04 3.93 3.91 2bb5B1 LEU 321 H 0.09 0.09 -0.66 -0.55 8.37 7.34 2bb5B1 LEU 321 HA 0.09 -0.02 0.48 -0.75 4.35 4.15 2bb5B1 LEU 321 HB2 0.18 0.14 -0.20 -0.04 1.64 1.72 2bb5B1 LEU 321 HB3 0.12 0.02 -0.16 -0.04 1.64 1.58 2bb5B1 LEU 321 HG 0.28 0.20 0.10 -0.04 1.64 2.18 2bb5B1 LEU 321 HD13 0.16 0.00 -0.05 -0.04 0.93 1.00 2bb5B1 LEU 321 HD23 0.11 -0.04 0.07 -0.04 0.89 0.99 2bb5B1 LEU 322 H 0.06 0.08 0.03 -0.55 8.37 7.99 2bb5B1 LEU 322 HA 0.04 -0.03 0.32 -0.75 4.35 3.92 2bb5B1 LEU 322 HB2 0.05 -0.02 0.04 -0.04 1.64 1.68 2bb5B1 LEU 322 HB3 0.05 0.13 0.17 -0.04 1.64 1.94 2bb5B1 LEU 322 HG 0.03 -0.04 0.07 -0.04 1.64 1.66 2bb5B1 LEU 322 HD13 0.03 0.00 0.03 -0.04 0.93 0.95 2bb5B1 LEU 322 HD23 0.03 -0.01 0.00 -0.04 0.89 0.87 2bb5B1 PRO 323 HA 0.04 0.12 0.90 -0.51 4.44 4.99 2bb5B1 PRO 323 HB2 0.05 0.06 0.01 -0.04 2.28 2.36 2bb5B1 PRO 323 HB3 0.03 -0.02 0.12 -0.04 2.02 2.12 2bb5B1 PRO 323 HG2 0.05 0.02 0.07 -0.04 2.03 2.13 2bb5B1 PRO 323 HG3 0.04 -0.01 0.05 -0.04 2.03 2.06 2bb5B1 PRO 323 HD2 0.06 0.10 0.13 -0.04 3.68 3.94 2bb5B1 PRO 323 HD3 0.04 0.01 0.13 -0.04 3.65 3.79 2bb5B1 PRO 324 HA 0.11 0.19 0.52 -0.51 4.44 4.75 2bb5B1 PRO 324 HB2 0.05 -0.02 -0.06 -0.04 2.28 2.21 2bb5B1 PRO 324 HB3 0.06 -0.09 0.14 -0.04 2.02 2.09 2bb5B1 PRO 324 HG2 0.03 -0.01 0.10 -0.04 2.03 2.11 2bb5B1 PRO 324 HG3 0.03 -0.03 0.09 -0.04 2.03 2.09 2bb5B1 PRO 324 HD2 0.04 0.01 0.27 -0.04 3.68 3.96 2bb5B1 PRO 324 HD3 0.04 0.19 0.21 -0.04 3.65 4.05 2bb5B1 TYR 325 H 0.23 0.54 0.40 -0.55 8.29 8.92 2bb5B1 TYR 325 HA 0.04 0.13 0.84 -0.75 4.56 4.82 2bb5B1 TYR 325 HB2 0.10 0.09 0.14 -0.04 3.06 3.35 2bb5B1 TYR 325 HB3 0.11 -0.05 0.28 -0.04 2.98 3.27 2bb5B1 TYR 325 HD2 0.07 -0.06 -0.14 -0.04 7.15 6.98 2bb5B1 TYR 325 HE2 -0.05 0.06 -0.12 -0.04 6.85 6.70 2bb5B1 ARG 326 H -0.38 0.28 0.14 -0.55 8.46 7.94 2bb5B1 ARG 326 HA -0.10 0.23 0.57 -0.75 4.34 4.28 2bb5B1 ARG 326 HB2 -0.05 -0.02 -0.02 -0.04 1.90 1.77 2bb5B1 ARG 326 HB3 -0.01 0.04 -0.01 -0.04 1.80 1.78 2bb5B1 ARG 326 HG2 -0.04 0.03 -0.13 -0.04 1.67 1.49 2bb5B1 ARG 326 HG3 -0.11 0.01 0.09 -0.04 1.67 1.62 2bb5B1 ARG 326 HD2 -0.03 -0.00 -0.06 -0.04 3.22 3.08 2bb5B1 ARG 326 HD3 -0.05 -0.03 -0.13 -0.04 3.22 2.97 2bb5B1 GLN 327 H -0.15 0.66 0.25 -0.55 8.47 8.69 2bb5B1 GLN 327 HA -0.16 0.10 0.85 -0.75 4.36 4.40 2bb5B1 GLN 327 HB2 -0.48 0.03 -0.25 -0.04 2.15 1.41 2bb5B1 GLN 327 HB3 -0.15 -0.02 0.01 -0.04 2.02 1.83 2bb5B1 GLN 327 HG2 -0.05 0.00 -0.24 -0.04 2.40 2.07 2bb5B1 GLN 327 HG3 -0.09 -0.02 0.01 -0.04 2.39 2.24 2bb5B1 GLN 327 HE21 -0.08 -0.02 -0.01 -0.04 6.97 6.82 2bb5B1 GLN 327 HE22 -0.21 0.07 -0.01 -0.04 7.69 7.50 2bb5B1 SER 328 H -0.07 0.18 0.09 -0.55 8.46 8.11 2bb5B1 SER 328 HA -0.03 0.04 0.56 -0.75 4.49 4.30 2bb5B1 SER 328 HB2 -0.03 -0.01 0.03 -0.04 3.95 3.90 2bb5B1 SER 328 HB3 -0.03 0.01 0.15 -0.04 3.93 4.02 2bb5B1 ILE 329 H -0.03 0.45 0.49 -0.55 8.25 8.61 2bb5B1 ILE 329 HA -0.02 0.09 0.67 -0.75 4.18 4.17 2bb5B1 ILE 329 HB -0.04 0.02 0.18 -0.04 1.89 2.01 2bb5B1 ILE 329 HG12 -0.05 0.14 0.12 -0.04 1.49 1.66 2bb5B1 ILE 329 HG13 -0.09 0.02 0.03 -0.04 1.21 1.14 2bb5B1 ILE 329 HG23 -0.02 0.00 -0.13 -0.04 0.93 0.73 2bb5B1 ILE 329 HD13 -0.01 0.00 -0.15 -0.04 0.88 0.68 2bb5B1 SER 330 H -0.01 0.21 0.16 -0.55 8.46 8.27 2bb5B1 SER 330 HA -0.01 0.18 1.10 -0.75 4.49 5.01 2bb5B1 SER 330 HB2 -0.01 -0.02 -0.05 -0.04 3.95 3.83 2bb5B1 SER 330 HB3 -0.01 -0.02 0.13 -0.04 3.93 4.00 2bb5B1 VAL 331 H -0.01 0.57 0.27 -0.55 8.24 8.53 2bb5B1 VAL 331 HA -0.00 0.16 0.87 -0.75 4.13 4.41 2bb5B1 VAL 331 HB -0.00 -0.04 0.07 -0.04 2.12 2.11 2bb5B1 VAL 331 HG13 -0.01 -0.02 -0.30 -0.04 0.97 0.59 2bb5B1 VAL 331 HG23 -0.01 0.01 -0.24 -0.04 0.95 0.67 2bb5B1 LEU 332 H 0.00 0.10 0.14 -0.55 8.37 8.06 2bb5B1 LEU 332 HA -0.00 0.09 0.68 -0.75 4.35 4.36 2bb5B1 LEU 332 HB2 0.00 -0.03 0.11 -0.04 1.64 1.68 2bb5B1 LEU 332 HB3 0.00 0.02 0.01 -0.04 1.64 1.63 2bb5B1 LEU 332 HG -0.00 0.11 0.06 -0.04 1.64 1.77 2bb5B1 LEU 332 HD13 -0.00 -0.01 -0.04 -0.04 0.93 0.83 2bb5B1 LEU 332 HD23 0.00 0.01 -0.04 -0.04 0.89 0.82 2bb5B1 ALA 333 H -0.00 0.47 0.36 -0.55 8.40 8.68 2bb5B1 ALA 333 HA -0.01 0.03 0.43 -0.75 4.34 4.03 2bb5B1 ALA 333 HB3 -0.01 0.01 0.12 -0.04 1.41 1.49 2bb5B1 GLY 334 H -0.02 0.21 0.13 -0.55 8.43 8.20 2bb5B1 GLY 334 HA2 -0.02 0.03 0.32 -0.51 4.01 3.82 2bb5B1 GLY 334 HA3 -0.01 0.12 0.65 -0.51 4.01 4.26 2bb5B1 SER 335 H -0.01 0.31 -0.30 -0.55 8.46 7.91 2bb5B1 SER 335 HA 0.00 -0.02 0.40 -0.75 4.49 4.12 2bb5B1 SER 335 HB2 -0.00 -0.01 -0.04 -0.04 3.95 3.86 2bb5B1 SER 335 HB3 0.00 -0.10 0.02 -0.04 3.93 3.81 2bb5B1 THR 336 H 0.01 0.01 0.17 -0.55 8.28 7.93 2bb5B1 THR 336 HA 0.01 0.39 0.78 -0.75 4.39 4.82 2bb5B1 THR 336 HB 0.03 0.12 0.00 -0.04 4.32 4.43 2bb5B1 THR 336 HG23 0.04 -0.08 0.04 -0.04 1.22 1.17 2bb5B1 VAL 337 H 0.08 0.55 0.30 -0.55 8.24 8.62 2bb5B1 VAL 337 HA 0.03 0.04 0.43 -0.75 4.13 3.87 2bb5B1 VAL 337 HB 0.06 -0.01 0.29 -0.04 2.12 2.42 2bb5B1 VAL 337 HG13 -0.03 -0.02 -0.08 -0.04 0.97 0.80 2bb5B1 VAL 337 HG23 0.19 0.07 0.02 -0.04 0.95 1.18 2bb5B1 GLU 338 H 0.02 0.71 -0.04 -0.55 8.60 8.74 2bb5B1 GLU 338 HA -0.09 0.02 0.39 -0.75 4.29 3.86 2bb5B1 GLU 338 HB2 0.04 -0.03 -0.18 -0.04 2.09 1.87 2bb5B1 GLU 338 HB3 0.04 0.03 -0.04 -0.04 1.99 1.98 2bb5B1 GLU 338 HG2 0.08 0.02 -0.12 -0.04 2.34 2.27 2bb5B1 GLU 338 HG3 0.07 -0.02 -0.03 -0.04 2.34 2.31 2bb5B1 ASP 339 H 0.01 0.28 -0.30 -0.55 8.40 7.84 2bb5B1 ASP 339 HA 0.02 0.05 0.48 -0.75 4.63 4.43 2bb5B1 ASP 339 HB2 0.00 0.20 0.10 -0.04 2.71 2.97 2bb5B1 ASP 339 HB3 0.01 0.00 0.03 -0.04 2.70 2.70 2bb5B1 VAL 340 H -0.03 0.39 -0.17 -0.55 8.24 7.89 2bb5B1 VAL 340 HA -0.04 0.03 0.35 -0.75 4.13 3.72 2bb5B1 VAL 340 HB -0.06 0.15 0.14 -0.04 2.12 2.30 2bb5B1 VAL 340 HG13 -0.08 -0.01 -0.13 -0.04 0.97 0.71 2bb5B1 VAL 340 HG23 -0.01 0.03 -0.12 -0.04 0.95 0.81 2bb5B1 LEU 341 H -0.14 0.65 -0.06 -0.55 8.37 8.28 2bb5B1 LEU 341 HA -0.32 0.01 0.40 -0.75 4.35 3.69 2bb5B1 LEU 341 HB2 -0.38 0.07 0.14 -0.04 1.64 1.43 2bb5B1 LEU 341 HB3 -1.05 -0.03 -0.09 -0.04 1.64 0.43 2bb5B1 LEU 341 HG -0.21 0.10 -0.06 -0.04 1.64 1.43 2bb5B1 LEU 341 HD13 -0.39 -0.03 -0.09 -0.04 0.93 0.38 2bb5B1 LEU 341 HD23 -0.16 -0.01 -0.06 -0.04 0.89 0.61 2bb5B1 LYS 342 H -0.05 0.72 -0.14 -0.55 8.42 8.39 2bb5B1 LYS 342 HA 0.23 -0.01 0.43 -0.75 4.32 4.22 2bb5B1 LYS 342 HB2 0.05 0.08 0.25 -0.04 1.87 2.21 2bb5B1 LYS 342 HB3 0.08 -0.01 0.00 -0.04 1.79 1.83 2bb5B1 LYS 342 HG2 0.14 -0.02 0.04 -0.04 1.46 1.58 2bb5B1 LYS 342 HG3 0.22 -0.03 0.02 -0.04 1.46 1.63 2bb5B1 LYS 342 HD2 0.07 0.00 -0.02 -0.04 1.69 1.71 2bb5B1 LYS 342 HD3 0.08 -0.02 -0.02 -0.04 1.68 1.68 2bb5B1 LYS 342 HE2 0.11 -0.04 -0.09 -0.04 2.99 2.93 2bb5B1 LYS 342 HE3 0.06 0.06 -0.27 -0.04 2.99 2.80 2bb5B1 LYS 343 H 0.02 0.67 -0.09 -0.55 8.42 8.47 2bb5B1 LYS 343 HA 0.06 0.01 0.35 -0.75 4.32 3.99 2bb5B1 LYS 343 HB2 -0.00 0.04 0.07 -0.04 1.87 1.94 2bb5B1 LYS 343 HB3 0.02 -0.03 0.05 -0.04 1.79 1.79 2bb5B1 LYS 343 HG2 0.01 0.37 0.06 -0.04 1.46 1.86 2bb5B1 LYS 343 HG3 0.01 -0.02 -0.01 -0.04 1.46 1.40 2bb5B1 LYS 343 HD2 0.02 -0.00 0.02 -0.04 1.69 1.70 2bb5B1 LYS 343 HD3 0.04 -0.05 -0.05 -0.04 1.68 1.58 2bb5B1 LYS 343 HE2 0.02 0.02 0.04 -0.04 2.99 3.04 2bb5B1 LYS 343 HE3 0.02 -0.06 0.01 -0.04 2.99 2.92 2bb5B1 ALA 344 H -0.02 0.48 -0.27 -0.55 8.40 8.04 2bb5B1 ALA 344 HA 0.02 -0.02 0.35 -0.75 4.34 3.94 2bb5B1 ALA 344 HB3 -0.28 0.02 0.04 -0.04 1.41 1.15 2bb5B1 HIS 345 H 0.31 0.42 -0.18 -0.55 8.41 8.43 2bb5B1 HIS 345 HA 0.24 0.27 0.52 -0.75 4.63 4.90 2bb5B1 HIS 345 HB2 0.38 -0.11 0.08 -0.04 3.26 3.57 2bb5B1 HIS 345 HB3 0.23 0.11 0.19 -0.04 3.20 3.68 2bb5B1 HIS 345 HD2 0.07 0.01 -0.10 -0.04 6.97 6.90 2bb5B1 HIS 345 HE1 -0.04 -0.07 0.03 -0.04 7.75 7.64 2bb5B1 GLU 346 H 0.17 0.32 -0.15 -0.55 8.60 8.40 2bb5B1 GLU 346 HA -0.07 0.06 0.52 -0.75 4.29 4.05 2bb5B1 GLU 346 HB2 0.04 -0.06 0.08 -0.04 2.09 2.12 2bb5B1 GLU 346 HB3 0.13 -0.06 0.09 -0.04 1.99 2.11 2bb5B1 GLU 346 HG2 0.09 0.08 0.18 -0.04 2.34 2.65 2bb5B1 GLU 346 HG3 0.05 0.06 -0.09 -0.04 2.34 2.31 2bb5B1 LEU 347 H 0.05 0.35 -0.24 -0.55 8.37 7.98 2bb5B1 LEU 347 HA 0.02 -0.02 0.47 -0.75 4.35 4.07 2bb5B1 LEU 347 HB2 0.03 0.23 0.12 -0.04 1.64 1.99 2bb5B1 LEU 347 HB3 0.04 -0.03 0.09 -0.04 1.64 1.70 2bb5B1 LEU 347 HG 0.01 -0.02 0.01 -0.04 1.64 1.60 2bb5B1 LEU 347 HD13 0.01 -0.02 0.02 -0.04 0.93 0.90 2bb5B1 LEU 347 HD23 0.01 -0.03 -0.07 -0.04 0.89 0.76 2bb5B1 GLY 348 H 0.06 0.55 -0.05 -0.55 8.43 8.45 2bb5B1 GLY 348 HA2 0.02 0.13 0.62 -0.51 4.01 4.27 2bb5B1 GLY 348 HA3 0.06 -0.11 0.28 -0.51 4.01 3.74 2bb5B1 GLY 349 H 0.11 0.11 0.08 -0.55 8.43 8.18 2bb5B1 GLY 349 HA2 0.06 0.12 0.51 -0.51 4.01 4.19 2bb5B1 GLY 349 HA3 0.11 -0.02 0.38 -0.51 4.01 3.97 2bb5B1 PHE 350 H 0.13 0.63 0.23 -0.55 8.34 8.77 2bb5B1 PHE 350 HA -0.11 0.01 0.48 -0.75 4.62 4.24 2bb5B1 PHE 350 HB2 -0.13 0.07 -0.19 -0.04 3.15 2.86 2bb5B1 PHE 350 HB3 0.01 0.07 -0.41 -0.04 3.06 2.68 2bb5B1 PHE 350 HD2 -0.60 0.03 -0.13 -0.04 7.28 6.54 2bb5B1 PHE 350 HE2 -0.39 -0.03 -0.09 -0.04 7.38 6.83 2bb5B1 PHE 350 HZ -0.30 -0.06 -0.05 -0.04 7.32 6.87 2bb5B1 THR 351 H -0.77 0.12 0.20 -0.55 8.28 7.29 2bb5B1 THR 351 HA 0.04 0.26 0.71 -0.75 4.39 4.64 2bb5B1 THR 351 HB -0.15 -0.02 0.06 -0.04 4.32 4.17 2bb5B1 THR 351 HG23 0.09 0.03 -0.12 -0.04 1.22 1.18 2bb5B1 TYR 352 H -0.33 0.35 0.17 -0.55 8.29 7.93 2bb5B1 TYR 352 HA -0.38 0.14 0.61 -0.75 4.56 4.18 2bb5B1 TYR 352 HB2 -0.24 0.07 0.13 -0.04 3.06 2.98 2bb5B1 TYR 352 HB3 -0.35 0.06 -0.16 -0.04 2.98 2.48 2bb5B1 TYR 352 HD2 -0.06 -0.03 -0.27 -0.04 7.15 6.75 2bb5B1 TYR 352 HE2 -0.02 0.03 -0.15 -0.04 6.85 6.67 2bb5B1 GLU 353 H -0.17 0.50 0.34 -0.55 8.60 8.73 2bb5B1 GLU 353 HA -0.28 0.22 1.01 -0.75 4.29 4.48 2bb5B1 GLU 353 HB2 -0.09 -0.10 0.08 -0.04 2.09 1.93 2bb5B1 GLU 353 HB3 -0.10 0.12 0.08 -0.04 1.99 2.05 2bb5B1 GLU 353 HG2 -0.15 -0.13 -0.22 -0.04 2.34 1.80 2bb5B1 GLU 353 HG3 -0.09 0.04 -0.07 -0.04 2.34 2.18 2bb5B1 THR 354 H -0.11 0.22 0.19 -0.55 8.28 8.03 2bb5B1 THR 354 HA -0.01 0.23 1.06 -0.75 4.39 4.90 2bb5B1 THR 354 HB 0.06 -0.02 -0.08 -0.04 4.32 4.24 2bb5B1 THR 354 HG23 0.15 -0.01 -0.26 -0.04 1.22 1.06 2bb5B1 GLN 355 H 0.08 0.61 0.39 -0.55 8.47 9.00 2bb5B1 GLN 355 HA 0.02 0.14 0.77 -0.75 4.36 4.54 2bb5B1 GLN 355 HB2 0.22 -0.02 0.12 -0.04 2.15 2.43 2bb5B1 GLN 355 HB3 0.08 0.14 0.10 -0.04 2.02 2.30 2bb5B1 GLN 355 HG2 0.04 0.02 0.11 -0.04 2.40 2.52 2bb5B1 GLN 355 HG3 0.06 -0.03 -0.19 -0.04 2.39 2.18 2bb5B1 GLN 355 HE21 0.11 0.03 -0.00 -0.04 6.97 7.06 2bb5B1 GLN 355 HE22 0.08 -0.02 -0.05 -0.04 7.69 7.66 2bb5B1 ALA 356 H -0.00 0.13 0.14 -0.55 8.40 8.12 2bb5B1 ALA 356 HA -0.02 0.06 0.52 -0.75 4.34 4.15 2bb5B1 ALA 356 HB3 -0.08 0.04 0.09 -0.04 1.41 1.41 2bb5B1 SER 357 H -0.05 0.29 0.16 -0.55 8.46 8.31 2bb5B1 SER 357 HA -0.05 0.08 0.35 -0.75 4.49 4.11 2bb5B1 SER 357 HB2 -0.09 -0.11 0.13 -0.04 3.95 3.83 2bb5B1 SER 357 HB3 -0.06 0.26 0.02 -0.04 3.93 4.12 2bb5B1 LEU 358 H -0.05 0.17 0.11 -0.55 8.37 8.07 2bb5B1 LEU 358 HA -0.07 0.17 0.31 -0.75 4.35 4.01 2bb5B1 LEU 358 HB2 -0.03 -0.01 0.07 -0.04 1.64 1.63 2bb5B1 LEU 358 HB3 -0.03 -0.00 0.07 -0.04 1.64 1.64 2bb5B1 LEU 358 HG 0.03 -0.09 0.09 -0.04 1.64 1.63 2bb5B1 LEU 358 HD13 0.03 0.03 0.02 -0.04 0.93 0.97 2bb5B1 LEU 358 HD23 0.04 0.01 0.02 -0.04 0.89 0.91 2bb5B1 SER 359 H -0.07 -0.04 -0.89 -0.55 8.46 6.92 2bb5B1 SER 359 HA -0.10 0.07 0.72 -0.75 4.49 4.42 2bb5B1 SER 359 HB2 -0.09 -0.06 -0.09 -0.04 3.95 3.67 2bb5B1 SER 359 HB3 -0.06 0.08 -0.14 -0.04 3.93 3.76 2bb5B1 GLY 360 H -0.06 0.51 -0.01 -0.55 8.43 8.33 2bb5B1 GLY 360 HA2 0.01 0.08 0.30 -0.51 4.01 3.88 2bb5B1 GLY 360 HA3 0.03 0.16 0.85 -0.51 4.01 4.54 2bb5B1 PRO 361 HA 0.07 0.24 0.55 -0.51 4.44 4.79 2bb5B1 PRO 361 HB2 0.09 -0.02 -0.06 -0.04 2.28 2.25 2bb5B1 PRO 361 HB3 0.09 0.06 0.03 -0.04 2.02 2.16 2bb5B1 PRO 361 HG2 0.09 -0.12 0.10 -0.04 2.03 2.06 2bb5B1 PRO 361 HG3 0.11 0.09 0.05 -0.04 2.03 2.24 2bb5B1 PRO 361 HD2 0.11 0.10 0.23 -0.04 3.68 4.08 2bb5B1 PRO 361 HD3 0.13 0.17 0.15 -0.04 3.65 4.06 2bb5B1 TYR 362 H 0.16 0.89 0.41 -0.55 8.29 9.20 2bb5B1 TYR 362 HA 0.03 0.03 0.76 -0.75 4.56 4.62 2bb5B1 TYR 362 HB2 -0.00 -0.00 -0.03 -0.04 3.06 2.99 2bb5B1 TYR 362 HB3 0.01 0.03 0.16 -0.04 2.98 3.14 2bb5B1 TYR 362 HD2 0.02 -0.05 -0.02 -0.04 7.15 7.06 2bb5B1 TYR 362 HE2 0.00 0.01 -0.02 -0.04 6.85 6.80 2bb5B1 LEU 363 H -0.09 0.12 0.17 -0.55 8.37 8.03 2bb5B1 LEU 363 HA -0.07 0.10 0.60 -0.75 4.35 4.23 2bb5B1 LEU 363 HB2 -0.03 -0.07 0.09 -0.04 1.64 1.59 2bb5B1 LEU 363 HB3 -0.05 0.06 0.17 -0.04 1.64 1.79 2bb5B1 LEU 363 HG -0.22 0.01 -0.24 -0.04 1.64 1.15 2bb5B1 LEU 363 HD13 -0.05 0.02 -0.03 -0.04 0.93 0.82 2bb5B1 LEU 363 HD23 -0.09 0.01 -0.09 -0.04 0.89 0.68 2bb5B1 THR 364 H -0.11 0.61 0.48 -0.55 8.28 8.71 2bb5B1 THR 364 HA -0.04 0.20 1.05 -0.75 4.39 4.85 2bb5B1 THR 364 HB 0.05 0.01 0.03 -0.04 4.32 4.36 2bb5B1 THR 364 HG23 -0.03 0.04 -0.18 -0.04 1.22 1.01 2bb5B1 SER 365 H -0.15 0.34 0.35 -0.55 8.46 8.45 2bb5B1 SER 365 HA -0.01 0.38 0.85 -0.75 4.49 4.95 2bb5B1 SER 365 HB2 -0.00 0.08 -0.18 -0.04 3.95 3.81 2bb5B1 SER 365 HB3 -0.10 -0.11 0.02 -0.04 3.93 3.70 2bb5B1 VAL 366 H -0.49 0.62 0.10 -0.55 8.24 7.93 2bb5B1 VAL 366 HA -0.55 0.19 0.97 -0.75 4.13 3.98 2bb5B1 VAL 366 HB -2.26 0.06 0.03 -0.04 2.12 -0.08 2bb5B1 VAL 366 HG13 -0.47 0.02 -0.08 -0.04 0.97 0.40 2bb5B1 VAL 366 HG23 -0.92 -0.02 -0.20 -0.04 0.95 -0.24 2bb5B1 MET 367 H -0.62 0.63 0.23 -0.55 8.47 8.17 2bb5B1 MET 367 HA -0.32 -0.04 0.34 -0.75 4.52 3.75 2bb5B1 MET 367 HB2 -0.11 0.12 -0.12 -0.04 2.15 1.99 2bb5B1 MET 367 HB3 -0.07 0.04 0.22 -0.04 2.03 2.18 2bb5B1 MET 367 HG2 -0.35 -0.05 0.03 -0.04 2.63 2.22 2bb5B1 MET 367 HG3 -0.05 0.08 0.04 -0.04 2.56 2.59 2bb5B1 MET 367 HE3 0.08 0.05 0.03 -0.04 2.10 2.22 2bb5B1 GLY 368 H -0.19 0.00 -0.51 -0.55 8.43 7.18 2bb5B1 GLY 368 HA2 -0.07 -0.04 0.13 -0.51 4.01 3.53 2bb5B1 GLY 368 HA3 -0.05 0.14 0.37 -0.51 4.01 3.96 2bb5B1 LYS 369 H -0.02 0.54 -0.47 -0.55 8.42 7.92 2bb5B1 LYS 369 HA 0.11 0.17 0.93 -0.75 4.32 4.78 2bb5B1 LYS 369 HB2 0.17 0.02 -0.01 -0.04 1.87 2.01 2bb5B1 LYS 369 HB3 0.43 0.10 0.17 -0.04 1.79 2.44 2bb5B1 LYS 369 HG2 0.23 0.03 -0.00 -0.04 1.46 1.68 2bb5B1 LYS 369 HG3 0.32 -0.02 -0.28 -0.04 1.46 1.44 2bb5B1 LYS 369 HD2 0.10 0.02 0.05 -0.04 1.69 1.82 2bb5B1 LYS 369 HD3 0.08 -0.03 0.01 -0.04 1.68 1.70 2bb5B1 LYS 369 HE2 0.02 -0.06 -0.08 -0.04 2.99 2.82 2bb5B1 LYS 369 HE3 0.05 0.12 -0.02 -0.04 2.99 3.10 2bb5B1 ALA 370 H 0.10 0.21 -0.01 -0.55 8.40 8.15 2bb5B1 ALA 370 HA 0.20 0.06 0.71 -0.75 4.34 4.55 2bb5B1 ALA 370 HB3 0.07 0.01 0.02 -0.04 1.41 1.46 2bb5B1 ALA 371 H 0.36 0.68 0.39 -0.55 8.40 9.28 2bb5B1 ALA 371 HA -0.02 -0.08 0.37 -0.75 4.34 3.85 2bb5B1 ALA 371 HB3 0.13 0.00 0.06 -0.04 1.41 1.57 2bb5B1 GLY 372 H -0.02 -0.01 0.08 -0.55 8.43 7.94 2bb5B1 GLY 372 HA2 0.04 0.12 0.45 -0.51 4.01 4.11 2bb5B1 GLY 372 HA3 0.01 -0.10 0.39 -0.51 4.01 3.80 2bb5B1 GLU 373 H 0.01 0.05 0.09 -0.55 8.60 8.21 2bb5B1 GLU 373 HA 0.04 0.17 0.38 -0.75 4.29 4.12 2bb5B1 GLU 373 HB2 -0.00 0.00 0.16 -0.04 2.09 2.21 2bb5B1 GLU 373 HB3 -0.05 -0.16 0.25 -0.04 1.99 1.99 2bb5B1 GLU 373 HG2 -0.07 -0.00 0.04 -0.04 2.34 2.27 2bb5B1 GLU 373 HG3 0.01 0.07 0.04 -0.04 2.34 2.42 2bb5B1 ARG 374 H -0.12 0.10 0.08 -0.55 8.46 7.97 2bb5B1 ARG 374 HA -0.37 0.20 0.53 -0.75 4.34 3.95 2bb5B1 ARG 374 HB2 -0.37 -0.05 0.16 -0.04 1.90 1.60 2bb5B1 ARG 374 HB3 -0.75 0.21 0.23 -0.04 1.80 1.45 2bb5B1 ARG 374 HG2 -0.77 0.07 0.00 -0.04 1.67 0.93 2bb5B1 ARG 374 HG3 -0.42 -0.05 0.03 -0.04 1.67 1.19 2bb5B1 ARG 374 HD2 -1.19 -0.02 0.01 -0.04 3.22 1.98 2bb5B1 ARG 374 HD3 -1.15 0.01 0.03 -0.04 3.22 2.07 2bb5B1 GLU 375 H 0.17 0.44 -1.06 -0.55 8.60 7.60 2bb5B1 GLU 375 HA 0.29 0.06 1.01 -0.75 4.29 4.90 2bb5B1 GLU 375 HB2 -0.12 0.05 -0.05 -0.04 2.09 1.93 2bb5B1 GLU 375 HB3 -0.03 -0.01 -0.07 -0.04 1.99 1.83 2bb5B1 GLU 375 HG2 0.01 -0.14 -0.34 -0.04 2.34 1.82 2bb5B1 GLU 375 HG3 0.02 0.09 -0.30 -0.04 2.34 2.11 2bb5B1 PHE 376 H -0.11 0.63 0.27 -0.55 8.34 8.58 2bb5B1 PHE 376 HA -0.01 0.14 0.50 -0.75 4.62 4.49 2bb5B1 PHE 376 HB2 -0.02 0.00 0.09 -0.04 3.15 3.19 2bb5B1 PHE 376 HB3 -0.13 0.10 -0.18 -0.04 3.06 2.80 2bb5B1 PHE 376 HD2 -0.12 0.05 -0.32 -0.04 7.28 6.85 2bb5B1 PHE 376 HE2 -0.10 -0.03 -0.13 -0.04 7.38 7.09 2bb5B1 PHE 376 HZ -0.05 -0.00 -0.06 -0.04 7.32 7.16 2bb5B1 TRP 377 H 0.26 0.23 0.11 -0.55 7.97 8.02 2bb5B1 TRP 377 HA -0.16 0.17 0.62 -0.75 4.62 4.50 2bb5B1 TRP 377 HB2 -0.08 0.10 0.05 -0.04 3.23 3.26 2bb5B1 TRP 377 HB3 -0.06 -0.03 -0.09 -0.04 3.23 3.01 2bb5B1 TRP 377 HD1 -0.05 0.10 -0.14 -0.04 7.22 7.08 2bb5B1 TRP 377 HE1 -0.03 0.30 0.07 -0.04 10.20 10.51 2bb5B1 TRP 377 HE3 -0.05 -0.04 -0.55 -0.04 7.59 6.91 2bb5B1 TRP 377 HZ2 -0.03 0.09 0.05 -0.04 7.44 7.51 2bb5B1 TRP 377 HZ3 -0.02 0.23 -0.24 -0.04 7.13 7.06 2bb5B1 TRP 377 HH2 -0.01 0.13 -0.06 -0.04 7.19 7.20 2bb5B1 GLN 378 H -0.30 0.76 0.48 -0.55 8.47 8.88 2bb5B1 GLN 378 HA 0.17 0.01 0.48 -0.75 4.36 4.27 2bb5B1 GLN 378 HB2 -0.57 -0.01 0.12 -0.04 2.15 1.65 2bb5B1 GLN 378 HB3 -0.15 -0.04 0.12 -0.04 2.02 1.91 2bb5B1 GLN 378 HG2 0.03 0.07 -0.23 -0.04 2.40 2.22 2bb5B1 GLN 378 HG3 0.15 -0.03 0.07 -0.04 2.39 2.54 2bb5B1 GLN 378 HE21 0.08 0.02 -0.00 -0.04 6.97 7.02 2bb5B1 GLN 378 HE22 0.14 0.00 0.02 -0.04 7.69 7.81 2bb5B1 LEU 379 H 0.12 0.14 0.25 -0.55 8.37 8.34 2bb5B1 LEU 379 HA 0.03 0.30 1.05 -0.75 4.35 4.98 2bb5B1 LEU 379 HB2 -0.02 -0.04 0.16 -0.04 1.64 1.70 2bb5B1 LEU 379 HB3 -0.04 0.02 0.11 -0.04 1.64 1.68 2bb5B1 LEU 379 HG 0.10 0.02 0.10 -0.04 1.64 1.81 2bb5B1 LEU 379 HD13 0.02 0.01 0.07 -0.04 0.93 0.99 2bb5B1 LEU 379 HD23 0.05 0.02 -0.12 -0.04 0.89 0.79 2bb5B1 LEU 380 H -0.02 0.54 0.34 -0.55 8.37 8.68 2bb5B1 LEU 380 HA -0.05 0.13 0.90 -0.75 4.35 4.58 2bb5B1 LEU 380 HB2 -0.00 -0.01 -0.06 -0.04 1.64 1.53 2bb5B1 LEU 380 HB3 -0.01 -0.02 -0.26 -0.04 1.64 1.31 2bb5B1 LEU 380 HG 0.00 0.07 -0.52 -0.04 1.64 1.15 2bb5B1 LEU 380 HD13 -0.00 0.01 -0.23 -0.04 0.93 0.66 2bb5B1 LEU 380 HD23 0.00 -0.02 -0.42 -0.04 0.89 0.41 2bb5B1 ARG 381 H -0.06 0.84 0.21 -0.55 8.46 8.89 2bb5B1 ARG 381 HA -0.04 0.30 1.04 -0.75 4.34 4.88 2bb5B1 ARG 381 HB2 -0.15 -0.08 0.03 -0.04 1.90 1.66 2bb5B1 ARG 381 HB3 -0.06 0.08 0.13 -0.04 1.80 1.91 2bb5B1 ARG 381 HG2 0.02 0.20 -0.20 -0.04 1.67 1.65 2bb5B1 ARG 381 HG3 0.07 -0.08 0.02 -0.04 1.67 1.64 2bb5B1 ARG 381 HD2 0.02 0.02 -0.13 -0.04 3.22 3.10 2bb5B1 ARG 381 HD3 0.07 -0.01 -0.04 -0.04 3.22 3.20 2bb5B1 ASP 382 H 0.00 0.47 0.21 -0.55 8.40 8.53 2bb5B1 ASP 382 HA 0.00 -0.26 0.43 -0.75 4.63 4.05 2bb5B1 ASP 382 HB2 0.01 -0.01 0.07 -0.04 2.71 2.73 2bb5B1 ASP 382 HB3 0.01 0.00 0.16 -0.04 2.70 2.84 2bb5B1 PRO 383 HA 0.01 -0.09 0.44 -0.51 4.44 4.28 2bb5B1 PRO 383 HB2 0.01 0.05 0.06 -0.04 2.28 2.36 2bb5B1 PRO 383 HB3 0.01 0.01 0.08 -0.04 2.02 2.07 2bb5B1 PRO 383 HG2 0.01 0.04 0.14 -0.04 2.03 2.18 2bb5B1 PRO 383 HG3 0.01 0.03 0.08 -0.04 2.03 2.11 2bb5B1 PRO 383 HD2 0.01 0.07 0.19 -0.04 3.68 3.91 2bb5B1 PRO 383 HD3 0.01 0.20 0.60 -0.04 3.65 4.42 2bb5B1 ASN 384 H 0.00 0.05 0.02 -0.55 8.53 8.06 2bb5B1 ASN 384 HA 0.00 -0.04 0.21 -0.75 4.76 4.18 2bb5B1 ASN 384 HB2 0.01 0.08 -0.41 -0.04 2.88 2.52 2bb5B1 ASN 384 HB3 0.01 0.03 0.15 -0.04 2.79 2.94 2bb5B1 ASN 384 HD21 0.01 -0.01 -0.03 -0.04 7.03 6.96 2bb5B1 ASN 384 HD22 0.01 0.04 -0.03 -0.04 7.74 7.71 2bb5B1 THR 385 H -0.00 0.37 -0.38 -0.55 8.28 7.71 2bb5B1 THR 385 HA 0.00 0.19 0.90 -0.75 4.39 4.73 2bb5B1 THR 385 HB -0.01 0.00 0.03 -0.04 4.32 4.31 2bb5B1 THR 385 HG23 0.01 0.06 -0.01 -0.04 1.22 1.23 2bb5B1 PRO 386 HA -0.01 0.11 0.67 -0.51 4.44 4.69 2bb5B1 PRO 386 HB2 0.04 0.06 0.01 -0.04 2.28 2.34 2bb5B1 PRO 386 HB3 0.05 -0.01 0.12 -0.04 2.02 2.13 2bb5B1 PRO 386 HG2 0.01 -0.01 0.10 -0.04 2.03 2.09 2bb5B1 PRO 386 HG3 0.05 0.01 0.10 -0.04 2.03 2.15 2bb5B1 PRO 386 HD2 0.01 0.08 0.33 -0.04 3.68 4.07 2bb5B1 PRO 386 HD3 0.02 0.26 0.19 -0.04 3.65 4.08 2bb5B1 LEU 387 H -0.06 0.57 0.26 -0.55 8.37 8.60 2bb5B1 LEU 387 HA -0.14 0.07 0.46 -0.75 4.35 3.99 2bb5B1 LEU 387 HB2 -0.11 0.03 0.10 -0.04 1.64 1.62 2bb5B1 LEU 387 HB3 -0.23 -0.11 0.09 -0.04 1.64 1.35 2bb5B1 LEU 387 HG -0.22 -0.04 -0.40 -0.04 1.64 0.94 2bb5B1 LEU 387 HD13 -0.36 -0.01 -0.08 -0.04 0.93 0.44 2bb5B1 LEU 387 HD23 -0.82 0.03 -0.13 -0.04 0.89 -0.07 2bb5B1 LEU 388 H -0.00 0.16 0.17 -0.55 8.37 8.15 2bb5B1 LEU 388 HA -0.06 0.16 0.75 -0.75 4.35 4.44 2bb5B1 LEU 388 HB2 0.11 0.03 0.11 -0.04 1.64 1.85 2bb5B1 LEU 388 HB3 0.25 -0.06 0.18 -0.04 1.64 1.96 2bb5B1 LEU 388 HG -0.05 0.13 -0.03 -0.04 1.64 1.65 2bb5B1 LEU 388 HD13 -0.07 -0.00 0.05 -0.04 0.93 0.87 2bb5B1 LEU 388 HD23 -0.16 -0.02 0.03 -0.04 0.89 0.70 2bb5B1 GLN 389 H -0.01 0.12 -0.17 -0.55 8.47 7.87 2bb5B1 GLN 389 HA -0.12 0.16 0.78 -0.75 4.36 4.43 2bb5B1 GLN 389 HB2 0.18 -0.03 -0.08 -0.04 2.15 2.18 2bb5B1 GLN 389 HB3 0.05 -0.07 -0.08 -0.04 2.02 1.88 2bb5B1 GLN 389 HG2 -0.14 -0.03 0.01 -0.04 2.40 2.20 2bb5B1 GLN 389 HG3 -0.04 0.10 -0.39 -0.04 2.39 2.01 2bb5B1 GLN 389 HE21 0.03 0.10 0.00 -0.04 6.97 7.07 2bb5B1 GLN 389 HE22 -0.01 -0.11 0.01 -0.04 7.69 7.54 2bb5B1 GLY 390 H -0.03 0.13 0.12 -0.55 8.43 8.11 2bb5B1 GLY 390 HA2 0.04 0.20 0.58 -0.51 4.01 4.32 2bb5B1 GLY 390 HA3 0.03 0.11 0.35 -0.51 4.01 4.00 2bb5B1 ILE 391 H 0.05 0.27 0.19 -0.55 8.25 8.20 2bb5B1 ILE 391 HA 0.04 0.10 0.32 -0.75 4.18 3.89 2bb5B1 ILE 391 HB -0.01 -0.06 -0.03 -0.04 1.89 1.76 2bb5B1 ILE 391 HG12 0.05 0.11 0.07 -0.04 1.49 1.68 2bb5B1 ILE 391 HG13 0.06 0.01 -0.15 -0.04 1.21 1.08 2bb5B1 ILE 391 HG23 -0.01 0.03 0.04 -0.04 0.93 0.94 2bb5B1 ILE 391 HD13 0.04 0.00 -0.11 -0.04 0.88 0.78 2bb5B1 ALA 392 H 0.06 0.06 -0.55 -0.55 8.40 7.42 2bb5B1 ALA 392 HA 0.07 0.10 0.77 -0.75 4.34 4.53 2bb5B1 ALA 392 HB3 0.10 0.03 0.08 -0.04 1.41 1.58 2bb5B1 ASP 393 H 0.07 0.40 -0.06 -0.55 8.40 8.26 2bb5B1 ASP 393 HA 0.05 0.28 0.86 -0.75 4.63 5.07 2bb5B1 ASP 393 HB2 0.00 -0.14 0.06 -0.04 2.71 2.60 2bb5B1 ASP 393 HB3 -0.00 0.03 0.09 -0.04 2.70 2.78 2bb5B1 TYR 394 H 0.15 0.28 0.07 -0.55 8.29 8.24 2bb5B1 TYR 394 HA 0.00 0.14 0.68 -0.75 4.56 4.63 2bb5B1 TYR 394 HB2 -0.00 -0.03 -0.06 -0.04 3.06 2.92 2bb5B1 TYR 394 HB3 -0.00 -0.07 0.03 -0.04 2.98 2.90 2bb5B1 TYR 394 HD2 -0.00 -0.05 -0.14 -0.04 7.15 6.92 2bb5B1 TYR 394 HE2 0.00 -0.01 -0.09 -0.04 6.85 6.72 2bb5B1 ARG 395 H -0.44 0.21 0.07 -0.55 8.46 7.75 2bb5B1 ARG 395 HA -0.10 0.30 0.89 -0.75 4.34 4.67 2bb5B1 ARG 395 HB2 -0.15 -0.05 0.12 -0.04 1.90 1.78 2bb5B1 ARG 395 HB3 -0.10 -0.02 -0.03 -0.04 1.80 1.61 2bb5B1 ARG 395 HG2 -0.03 0.35 -0.40 -0.04 1.67 1.55 2bb5B1 ARG 395 HG3 -0.04 -0.16 -0.50 -0.04 1.67 0.94 2bb5B1 ARG 395 HD2 -0.02 0.01 -0.07 -0.04 3.22 3.10 2bb5B1 ARG 395 HD3 -0.03 -0.05 -0.01 -0.04 3.22 3.08 2bb5B1 PRO 396 HA -0.09 -0.01 0.27 -0.51 4.44 4.10 2bb5B1 PRO 396 HB2 0.07 0.12 -0.14 -0.04 2.28 2.29 2bb5B1 PRO 396 HB3 0.26 -0.03 -0.05 -0.04 2.02 2.16 2bb5B1 PRO 396 HG2 0.02 0.05 -0.16 -0.04 2.03 1.90 2bb5B1 PRO 396 HG3 0.09 -0.04 -0.14 -0.04 2.03 1.90 2bb5B1 PRO 396 HD2 -0.01 0.37 0.10 -0.04 3.68 4.10 2bb5B1 PRO 396 HD3 0.16 0.05 -0.16 -0.04 3.65 3.65 2bb5B1 LYS 397 H 0.02 0.06 0.11 -0.55 8.42 8.06 2bb5B1 LYS 397 HA -0.02 0.17 0.78 -0.75 4.32 4.49 2bb5B1 LYS 397 HB2 0.01 0.05 0.02 -0.04 1.87 1.91 2bb5B1 LYS 397 HB3 -0.01 -0.04 0.15 -0.04 1.79 1.85 2bb5B1 LYS 397 HG2 -0.06 0.06 -0.11 -0.04 1.46 1.31 2bb5B1 LYS 397 HG3 -0.01 -0.01 0.03 -0.04 1.46 1.43 2bb5B1 LYS 397 HD2 -0.01 -0.00 0.01 -0.04 1.69 1.65 2bb5B1 LYS 397 HD3 -0.02 -0.02 0.03 -0.04 1.68 1.63 2bb5B1 LYS 397 HE2 -0.05 -0.01 -0.01 -0.04 2.99 2.88 2bb5B1 LYS 397 HE3 -0.03 -0.00 0.00 -0.04 2.99 2.93 2bb5B1 ASP 398 H -0.00 0.10 0.14 -0.55 8.40 8.09 2bb5B1 ASP 398 HA 0.00 0.09 0.48 -0.75 4.63 4.45 2bb5B1 ASP 398 HB2 -0.00 -0.00 0.17 -0.04 2.71 2.83 2bb5B1 ASP 398 HB3 -0.00 0.02 0.12 -0.04 2.70 2.80 2bb5B1 GLY 399 H 0.00 0.71 0.43 -0.55 8.43 9.02 2bb5B1 GLY 399 HA2 0.00 -0.03 0.33 -0.51 4.01 3.80 2bb5B1 GLY 399 HA3 0.00 0.03 0.42 -0.51 4.01 3.95 2bb5B1 GLU 400 H 0.02 0.32 -0.05 -0.55 8.60 8.34 2bb5B1 GLU 400 HA 0.03 0.14 0.68 -0.75 4.29 4.39 2bb5B1 GLU 400 HB2 0.04 0.13 -0.01 -0.04 2.09 2.21 2bb5B1 GLU 400 HB3 0.06 -0.06 -0.03 -0.04 1.99 1.92 2bb5B1 GLU 400 HG2 0.07 0.02 0.06 -0.04 2.34 2.46 2bb5B1 GLU 400 HG3 0.06 0.07 0.06 -0.04 2.34 2.49 2bb5B1 THR 401 H 0.02 0.20 0.24 -0.55 8.28 8.19 2bb5B1 THR 401 HA 0.01 0.34 1.09 -0.75 4.39 5.08 2bb5B1 THR 401 HB 0.01 -0.13 0.15 -0.04 4.32 4.31 2bb5B1 THR 401 HG23 0.01 0.01 -0.16 -0.04 1.22 1.03 2bb5B1 ILE 402 H 0.00 0.73 0.35 -0.55 8.25 8.79 2bb5B1 ILE 402 HA -0.02 0.32 1.14 -0.75 4.18 4.87 2bb5B1 ILE 402 HB -0.02 -0.04 0.13 -0.04 1.89 1.92 2bb5B1 ILE 402 HG12 0.03 -0.02 -0.30 -0.04 1.49 1.17 2bb5B1 ILE 402 HG13 0.04 -0.03 -0.09 -0.04 1.21 1.08 2bb5B1 ILE 402 HG23 -0.04 -0.01 -0.10 -0.04 0.93 0.74 2bb5B1 ILE 402 HD13 0.00 0.03 -0.09 -0.04 0.88 0.79 2bb5B1 GLU 403 H -0.01 0.49 0.24 -0.55 8.60 8.78 2bb5B1 GLU 403 HA 0.04 0.49 1.13 -0.75 4.29 5.20 2bb5B1 GLU 403 HB2 0.02 -0.05 -0.06 -0.04 2.09 1.96 2bb5B1 GLU 403 HB3 0.02 -0.09 -0.01 -0.04 1.99 1.88 2bb5B1 GLU 403 HG2 0.08 0.09 -0.26 -0.04 2.34 2.21 2bb5B1 GLU 403 HG3 0.06 0.02 -0.05 -0.04 2.34 2.33 2bb5B1 LEU 404 H 0.09 0.47 0.26 -0.55 8.37 8.64 2bb5B1 LEU 404 HA 0.14 0.31 0.95 -0.75 4.35 5.00 2bb5B1 LEU 404 HB2 0.04 -0.00 0.15 -0.04 1.64 1.78 2bb5B1 LEU 404 HB3 0.05 0.00 -0.03 -0.04 1.64 1.63 2bb5B1 LEU 404 HG -0.01 0.00 -0.13 -0.04 1.64 1.47 2bb5B1 LEU 404 HD13 -0.06 -0.01 -0.06 -0.04 0.93 0.76 2bb5B1 LEU 404 HD23 -0.01 0.01 -0.11 -0.04 0.89 0.74 2bb5B1 ARG 405 H 0.18 0.71 0.16 -0.55 8.46 8.96 2bb5B1 ARG 405 HA 0.13 0.15 0.81 -0.75 4.34 4.68 2bb5B1 ARG 405 HB2 0.03 -0.03 -0.23 -0.04 1.90 1.63 2bb5B1 ARG 405 HB3 -0.03 -0.00 -0.02 -0.04 1.80 1.71 2bb5B1 ARG 405 HG2 -0.14 0.01 -0.43 -0.04 1.67 1.07 2bb5B1 ARG 405 HG3 -0.04 -0.01 -0.10 -0.04 1.67 1.48 2bb5B1 ARG 405 HD2 -0.06 -0.02 -0.12 -0.04 3.22 2.98 2bb5B1 ARG 405 HD3 -0.05 0.03 -0.11 -0.04 3.22 3.04 2bb5B1 LEU 406 H -0.34 0.21 0.07 -0.55 8.37 7.76 2bb5B1 LEU 406 HA -0.90 0.21 0.82 -0.75 4.35 3.73 2bb5B1 LEU 406 HB2 -2.24 0.02 0.02 -0.04 1.64 -0.59 2bb5B1 LEU 406 HB3 -0.65 0.01 0.21 -0.04 1.64 1.18 2bb5B1 LEU 406 HG -0.54 0.01 -0.14 -0.04 1.64 0.94 2bb5B1 LEU 406 HD13 -1.44 0.00 -0.23 -0.04 0.93 -0.78 2bb5B1 LEU 406 HD23 -0.40 0.00 -0.05 -0.04 0.89 0.40 2bb5B1 VAL 407 H -0.54 0.35 0.24 -0.55 8.24 7.74 2bb5B1 VAL 407 HA -0.18 0.14 0.77 -0.75 4.13 4.11 2bb5B1 VAL 407 HB -0.10 0.03 0.07 -0.04 2.12 2.08 2bb5B1 VAL 407 HG13 -0.15 -0.01 -0.08 -0.04 0.97 0.70 2bb5B1 VAL 407 HG23 -0.72 -0.00 -0.02 -0.04 0.95 0.16 2bb5B1 SER 408 H -0.02 0.22 0.18 -0.55 8.46 8.30 2bb5B1 SER 408 HA 0.19 0.12 1.11 -0.75 4.49 5.15 2bb5B1 SER 408 HB2 0.00 -0.03 0.07 -0.04 3.95 3.95 2bb5B1 SER 408 HB3 0.00 0.12 -0.02 -0.04 3.93 3.99 2bb5B1 TRP 409 H 0.75 0.40 0.10 -0.55 7.97 8.67 2bb5B1 TRP 409 HA 0.02 0.24 0.82 -0.75 4.62 4.96 2bb5B1 TRP 409 HB2 0.07 0.01 0.04 -0.04 3.23 3.31 2bb5B1 TRP 409 HB3 0.24 -0.03 -0.15 -0.04 3.23 3.24 2bb5B1 TRP 409 HD1 -0.02 -0.03 -0.00 -0.04 7.22 7.12 2bb5B1 TRP 409 HE1 -0.10 -0.08 0.00 -0.04 10.20 9.98 2bb5B1 TRP 409 HE3 0.20 -0.00 -0.25 -0.04 7.59 7.49 2bb5B1 TRP 409 HZ2 -0.09 0.00 0.01 -0.04 7.44 7.32 2bb5B1 TRP 409 HZ3 0.10 0.28 -0.31 -0.04 7.13 7.16 2bb5B1 TRP 409 HH2 -0.00 0.10 -0.01 -0.04 7.19 7.24