============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 7 0.840 31.334 -7.654 9.760 -99.200 -91.000 PHE 8 1.000 21.022 -7.883 12.008 -99.200 -91.000 PHE 17 1.000 27.799 -4.763 22.428 -99.200 -91.000 TRP 19 1.040 34.070 -3.827 26.049 -99.200 -91.000 TRP6 19 1.020 32.347 -5.350 25.434 -99.200 -91.000 HIS 33 0.900 29.076 19.707 23.679 -99.200 -91.000 HIS 61 0.900 25.140 22.277 26.417 -99.200 -91.000 PHE 85 1.000 13.945 5.015 16.255 -99.200 -91.000 TYR 86 0.840 21.135 9.728 18.051 -99.200 -91.000 PHE 91 1.000 19.738 15.371 30.299 -99.200 -91.000 HIS 92 0.900 15.183 8.659 34.295 -99.200 -91.000 PHE 94 1.000 18.717 18.307 33.837 -99.200 -91.000 TYR 102 0.840 31.347 4.948 35.883 -99.200 -91.000 PHE 141 1.000 20.913 7.383 25.318 -99.200 -91.000 TYR 142 0.840 14.629 2.238 24.856 -99.200 -91.000 TRP 152 1.040 23.646 -12.930 8.071 -99.200 -91.000 TRP6 152 1.020 21.964 -11.594 7.060 -99.200 -91.000 HIS 179 0.900 18.242 20.126 42.982 -99.200 -91.000 TRP 180 1.040 18.007 22.671 39.331 -99.200 -91.000 TRP6 180 1.020 18.356 22.786 36.985 -99.200 -91.000 PHE 185 1.000 16.988 31.926 34.701 -99.200 -91.000 HIS 193 0.900 12.590 36.022 33.815 -99.200 -91.000 PHE 194 1.000 5.843 28.877 30.912 -99.200 -91.000 HIS 204 0.900 11.008 31.321 10.105 -99.200 -91.000 HIS 227 0.900 29.853 9.869 13.194 -99.200 -91.000 HIS 228 0.900 36.262 9.353 14.309 -99.200 -91.000 TRP 230 1.040 38.561 9.100 2.589 -99.200 -91.000 TRP6 230 1.020 38.289 7.970 0.495 -99.200 -91.000 TYR 239 0.840 27.214 12.591 17.760 -99.200 -91.000 HIS 242 0.900 29.290 19.234 14.766 -99.200 -91.000 TRP 264 1.040 18.028 15.117 23.307 -99.200 -91.000 TRP6 264 1.020 18.809 13.879 21.438 -99.200 -91.000 HIS 269 0.900 18.941 11.479 12.971 -99.200 -91.000 HIS 274 0.900 27.915 15.270 3.318 -99.200 -91.000 TYR 280 0.840 17.904 27.978 6.941 -99.200 -91.000 HIS 284 0.900 7.255 24.694 13.341 -99.200 -91.000 HIS 291 0.900 5.154 22.105 34.731 -99.200 -91.000 TYR 304 0.840 14.546 23.678 6.711 -99.200 -91.000 TRP 320 1.040 16.294 18.787 17.032 -99.200 -91.000 TRP6 320 1.020 16.954 19.053 19.290 -99.200 -91.000 PHE 322 1.000 14.650 21.716 22.031 -99.200 -91.000 PHE 327 1.000 13.993 27.848 37.012 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bi0A1 ILE 8 HA 0.06 -0.08 0.19 -0.75 4.18 3.59 2bi0A1 ILE 8 HB 0.19 -0.03 0.04 -0.04 1.89 2.05 2bi0A1 ILE 8 HG12 0.59 0.03 -0.02 -0.04 1.49 2.05 2bi0A1 ILE 8 HG13 0.23 -0.09 0.02 -0.04 1.21 1.33 2bi0A1 ILE 8 HG23 0.35 0.03 -0.17 -0.04 0.93 1.10 2bi0A1 ILE 8 HD13 0.19 0.00 0.02 -0.04 0.88 1.05 2bi0A1 ARG 9 H 0.06 0.05 -0.01 -0.55 8.46 8.00 2bi0A1 ARG 9 HA 0.02 -0.01 0.24 -0.75 4.34 3.83 2bi0A1 ARG 9 HB2 0.04 -0.06 0.06 -0.04 1.90 1.90 2bi0A1 ARG 9 HB3 -0.01 0.04 -0.19 -0.04 1.80 1.60 2bi0A1 ARG 9 HG2 -0.04 0.32 -0.18 -0.04 1.67 1.73 2bi0A1 ARG 9 HG3 0.03 -0.10 0.03 -0.04 1.67 1.60 2bi0A1 ARG 9 HD2 -0.24 0.21 -0.04 -0.04 3.22 3.11 2bi0A1 ARG 9 HD3 0.05 -0.02 -0.02 -0.04 3.22 3.19 2bi0A1 VAL 10 H 0.00 0.05 0.15 -0.55 8.24 7.90 2bi0A1 VAL 10 HA 0.01 0.08 0.65 -0.75 4.13 4.12 2bi0A1 VAL 10 HB -0.00 0.01 0.13 -0.04 2.12 2.22 2bi0A1 VAL 10 HG13 -0.00 0.01 0.10 -0.04 0.97 1.03 2bi0A1 VAL 10 HG23 -0.01 -0.01 -0.06 -0.04 0.95 0.83 2bi0A1 GLY 11 H -0.01 0.12 0.17 -0.55 8.43 8.16 2bi0A1 GLY 11 HA2 -0.05 -0.04 0.33 -0.51 4.01 3.75 2bi0A1 GLY 11 HA3 -0.07 0.12 0.60 -0.51 4.01 4.15 2bi0A1 GLY 12 H -0.02 0.37 -0.35 -0.55 8.43 7.88 2bi0A1 GLY 12 HA2 0.01 0.07 0.31 -0.51 4.01 3.89 2bi0A1 GLY 12 HA3 -0.08 0.05 0.62 -0.51 4.01 4.10 2bi0A1 PRO 13 HA -0.02 -0.08 0.51 -0.51 4.44 4.33 2bi0A1 PRO 13 HB2 0.05 0.16 -0.08 -0.04 2.28 2.37 2bi0A1 PRO 13 HB3 0.13 -0.04 0.06 -0.04 2.02 2.13 2bi0A1 PRO 13 HG2 -0.04 0.26 0.14 -0.04 2.03 2.34 2bi0A1 PRO 13 HG3 0.23 -0.04 0.07 -0.04 2.03 2.25 2bi0A1 PRO 13 HD2 -0.05 0.16 0.23 -0.04 3.68 3.97 2bi0A1 PRO 13 HD3 0.13 0.08 0.15 -0.04 3.65 3.97 2bi0A1 TYR 14 H 0.03 0.00 0.14 -0.55 8.29 7.91 2bi0A1 TYR 14 HA -0.02 0.32 0.68 -0.75 4.56 4.78 2bi0A1 TYR 14 HB2 -0.04 -0.14 0.06 -0.04 3.06 2.90 2bi0A1 TYR 14 HB3 -0.06 -0.12 0.08 -0.04 2.98 2.83 2bi0A1 TYR 14 HD2 -0.01 0.07 -0.12 -0.04 7.15 7.05 2bi0A1 TYR 14 HE2 -0.00 0.01 -0.03 -0.04 6.85 6.79 2bi0A1 PHE 15 H 0.16 0.89 0.11 -0.55 8.34 8.94 2bi0A1 PHE 15 HA -0.08 0.10 0.19 -0.75 4.62 4.07 2bi0A1 PHE 15 HB2 -0.17 0.26 -0.13 -0.04 3.15 3.06 2bi0A1 PHE 15 HB3 -0.38 -0.11 -0.16 -0.04 3.06 2.37 2bi0A1 PHE 15 HD2 -0.44 0.03 -0.25 -0.04 7.28 6.57 2bi0A1 PHE 15 HE2 -0.04 0.08 -0.15 -0.04 7.38 7.23 2bi0A1 PHE 15 HZ 0.00 -0.08 -0.34 -0.04 7.32 6.86 2bi0A1 ASP 16 H -0.14 -0.02 -0.22 -0.55 8.40 7.47 2bi0A1 ASP 16 HA -0.37 0.19 0.31 -0.75 4.63 4.00 2bi0A1 ASP 16 HB2 0.05 0.05 0.10 -0.04 2.71 2.87 2bi0A1 ASP 16 HB3 -0.63 0.04 0.01 -0.04 2.70 2.08 2bi0A1 ASP 17 H -0.01 0.28 -0.48 -0.55 8.40 7.64 2bi0A1 ASP 17 HA 0.01 0.12 0.82 -0.75 4.63 4.83 2bi0A1 ASP 17 HB2 0.05 0.18 0.09 -0.04 2.71 3.00 2bi0A1 ASP 17 HB3 0.06 -0.02 0.11 -0.04 2.70 2.81 2bi0A1 LEU 18 H -0.19 0.40 -0.19 -0.55 8.37 7.84 2bi0A1 LEU 18 HA 0.01 0.08 0.54 -0.75 4.35 4.22 2bi0A1 LEU 18 HB2 -0.26 0.10 -0.02 -0.04 1.64 1.42 2bi0A1 LEU 18 HB3 -0.04 -0.08 -0.06 -0.04 1.64 1.42 2bi0A1 LEU 18 HG -0.06 0.13 -0.07 -0.04 1.64 1.59 2bi0A1 LEU 18 HD13 -0.02 -0.00 -0.10 -0.04 0.93 0.76 2bi0A1 LEU 18 HD23 0.19 0.00 -0.12 -0.04 0.89 0.93 2bi0A1 SER 19 H -0.02 0.19 0.17 -0.55 8.46 8.25 2bi0A1 SER 19 HA -0.06 0.11 0.74 -0.75 4.49 4.53 2bi0A1 SER 19 HB2 -0.03 -0.04 0.01 -0.04 3.95 3.84 2bi0A1 SER 19 HB3 -0.02 0.10 -0.04 -0.04 3.93 3.92 2bi0A1 LYS 20 H -0.02 0.12 0.08 -0.55 8.42 8.04 2bi0A1 LYS 20 HA 0.01 0.06 0.34 -0.75 4.32 3.97 2bi0A1 LYS 20 HB2 0.01 -0.07 0.05 -0.04 1.87 1.82 2bi0A1 LYS 20 HB3 0.01 -0.01 0.13 -0.04 1.79 1.87 2bi0A1 LYS 20 HG2 0.01 0.02 -0.14 -0.04 1.46 1.31 2bi0A1 LYS 20 HG3 0.02 0.09 -0.13 -0.04 1.46 1.40 2bi0A1 LYS 20 HD2 0.03 -0.10 0.03 -0.04 1.69 1.61 2bi0A1 LYS 20 HD3 0.02 -0.04 0.02 -0.04 1.68 1.64 2bi0A1 LYS 20 HE2 0.02 -0.03 0.01 -0.04 2.99 2.95 2bi0A1 LYS 20 HE3 0.02 0.27 0.08 -0.04 2.99 3.32 2bi0A1 GLY 21 H 0.01 0.79 0.35 -0.55 8.43 9.04 2bi0A1 GLY 21 HA2 0.00 -0.00 0.39 -0.51 4.01 3.89 2bi0A1 GLY 21 HA3 -0.00 0.04 0.59 -0.51 4.01 4.13 2bi0A1 GLN 22 H -0.01 0.49 -0.10 -0.55 8.47 8.31 2bi0A1 GLN 22 HA -0.06 0.05 0.50 -0.75 4.36 4.09 2bi0A1 GLN 22 HB2 -0.05 -0.01 0.15 -0.04 2.15 2.20 2bi0A1 GLN 22 HB3 -0.00 -0.04 0.18 -0.04 2.02 2.12 2bi0A1 GLN 22 HG2 -0.53 0.03 -0.17 -0.04 2.40 1.69 2bi0A1 GLN 22 HG3 -0.20 -0.00 0.10 -0.04 2.39 2.24 2bi0A1 GLN 22 HE21 -0.02 0.05 0.00 -0.04 6.97 6.96 2bi0A1 GLN 22 HE22 -0.41 0.02 -0.00 -0.04 7.69 7.25 2bi0A1 VAL 23 H -0.16 0.18 0.23 -0.55 8.24 7.94 2bi0A1 VAL 23 HA 0.01 0.32 1.06 -0.75 4.13 4.76 2bi0A1 VAL 23 HB -0.02 -0.05 0.11 -0.04 2.12 2.12 2bi0A1 VAL 23 HG13 0.00 -0.02 -0.18 -0.04 0.97 0.72 2bi0A1 VAL 23 HG23 -0.02 0.05 -0.16 -0.04 0.95 0.78 2bi0A1 PHE 24 H 0.16 0.86 0.36 -0.55 8.34 9.17 2bi0A1 PHE 24 HA -0.51 0.12 1.00 -0.75 4.62 4.48 2bi0A1 PHE 24 HB2 -0.35 0.02 0.30 -0.04 3.15 3.08 2bi0A1 PHE 24 HB3 -0.87 -0.05 0.10 -0.04 3.06 2.20 2bi0A1 PHE 24 HD2 -0.36 0.09 -0.06 -0.04 7.28 6.91 2bi0A1 PHE 24 HE2 0.02 0.00 -0.09 -0.04 7.38 7.28 2bi0A1 PHE 24 HZ -0.01 0.02 -0.05 -0.04 7.32 7.24 2bi0A1 ASP 25 H 0.06 0.19 0.07 -0.55 8.40 8.18 2bi0A1 ASP 25 HA -0.06 0.33 1.04 -0.75 4.63 5.18 2bi0A1 ASP 25 HB2 0.05 0.03 0.16 -0.04 2.71 2.91 2bi0A1 ASP 25 HB3 0.02 0.01 -0.08 -0.04 2.70 2.60 2bi0A1 TRP 26 H -0.51 0.07 0.01 -0.55 7.97 7.00 2bi0A1 TRP 26 HA 0.03 0.30 0.98 -0.75 4.62 5.18 2bi0A1 TRP 26 HB2 0.02 0.02 0.16 -0.04 3.23 3.39 2bi0A1 TRP 26 HB3 0.01 -0.02 0.00 -0.04 3.23 3.18 2bi0A1 TRP 26 HD1 0.03 0.01 -0.06 -0.04 7.22 7.16 2bi0A1 TRP 26 HE1 0.05 0.03 -0.04 -0.04 10.20 10.20 2bi0A1 TRP 26 HE3 -0.01 -0.09 0.06 -0.04 7.59 7.51 2bi0A1 TRP 26 HZ2 0.15 0.04 -0.02 -0.04 7.44 7.57 2bi0A1 TRP 26 HZ3 -0.20 0.18 0.20 -0.04 7.13 7.27 2bi0A1 TRP 26 HH2 -0.18 0.03 0.04 -0.04 7.19 7.04 2bi0A1 ALA 27 H -0.18 0.04 -0.27 -0.55 8.40 7.44 2bi0A1 ALA 27 HA -0.06 0.06 0.51 -0.75 4.34 4.09 2bi0A1 ALA 27 HB3 -0.10 0.03 0.06 -0.04 1.41 1.35 2bi0A1 PRO 28 HA 0.08 -0.02 0.49 -0.51 4.44 4.49 2bi0A1 PRO 28 HB2 0.01 0.02 -0.02 -0.04 2.28 2.25 2bi0A1 PRO 28 HB3 0.03 0.00 0.11 -0.04 2.02 2.12 2bi0A1 PRO 28 HG2 0.02 0.01 0.09 -0.04 2.03 2.11 2bi0A1 PRO 28 HG3 0.06 0.02 0.11 -0.04 2.03 2.18 2bi0A1 PRO 28 HD2 0.00 0.10 0.22 -0.04 3.68 3.96 2bi0A1 PRO 28 HD3 0.05 0.15 0.26 -0.04 3.65 4.07 2bi0A1 GLY 29 H 0.11 0.03 0.18 -0.55 8.43 8.20 2bi0A1 GLY 29 HA2 -0.27 0.28 0.75 -0.51 4.01 4.27 2bi0A1 GLY 29 HA3 -0.25 -0.08 0.27 -0.51 4.01 3.44 2bi0A1 VAL 30 H -0.28 0.55 0.24 -0.55 8.24 8.20 2bi0A1 VAL 30 HA -0.07 0.14 0.87 -0.75 4.13 4.32 2bi0A1 VAL 30 HB -0.08 -0.03 0.08 -0.04 2.12 2.05 2bi0A1 VAL 30 HG13 -0.03 -0.02 -0.22 -0.04 0.97 0.66 2bi0A1 VAL 30 HG23 -0.04 0.06 -0.26 -0.04 0.95 0.68 2bi0A1 THR 31 H -0.05 0.18 0.07 -0.55 8.28 7.94 2bi0A1 THR 31 HA -0.05 0.16 0.67 -0.75 4.39 4.41 2bi0A1 THR 31 HB -0.01 -0.05 0.07 -0.04 4.32 4.29 2bi0A1 THR 31 HG23 -0.00 0.05 -0.19 -0.04 1.22 1.05 2bi0A1 LEU 32 H -0.01 0.71 0.30 -0.55 8.37 8.82 2bi0A1 LEU 32 HA -0.00 0.06 0.55 -0.75 4.35 4.20 2bi0A1 LEU 32 HB2 0.02 0.01 0.16 -0.04 1.64 1.79 2bi0A1 LEU 32 HB3 0.02 -0.07 -0.01 -0.04 1.64 1.53 2bi0A1 LEU 32 HG -0.01 0.13 0.03 -0.04 1.64 1.76 2bi0A1 LEU 32 HD13 0.05 -0.00 -0.16 -0.04 0.93 0.78 2bi0A1 LEU 32 HD23 0.01 -0.00 -0.13 -0.04 0.89 0.72 2bi0A1 SER 33 H 0.00 0.21 0.27 -0.55 8.46 8.40 2bi0A1 SER 33 HA 0.01 0.22 0.85 -0.75 4.49 4.82 2bi0A1 SER 33 HB2 0.01 -0.04 0.14 -0.04 3.95 4.01 2bi0A1 SER 33 HB3 0.00 0.22 -0.09 -0.04 3.93 4.02 2bi0A1 LEU 34 H 0.01 0.26 0.16 -0.55 8.37 8.25 2bi0A1 LEU 34 HA 0.01 0.11 0.49 -0.75 4.35 4.21 2bi0A1 LEU 34 HB2 0.01 0.02 0.10 -0.04 1.64 1.72 2bi0A1 LEU 34 HB3 0.01 0.07 0.05 -0.04 1.64 1.73 2bi0A1 LEU 34 HG 0.01 -0.03 0.02 -0.04 1.64 1.59 2bi0A1 LEU 34 HD13 0.00 0.02 0.01 -0.04 0.93 0.92 2bi0A1 LEU 34 HD23 0.01 0.01 -0.06 -0.04 0.89 0.81 2bi0A1 GLY 35 H 0.01 0.08 -0.13 -0.55 8.43 7.84 2bi0A1 GLY 35 HA2 0.01 0.13 0.55 -0.51 4.01 4.19 2bi0A1 GLY 35 HA3 0.01 0.11 0.23 -0.51 4.01 3.85 2bi0A1 LEU 36 H 0.01 0.10 -0.14 -0.55 8.37 7.79 2bi0A1 LEU 36 HA 0.02 0.13 0.42 -0.75 4.35 4.17 2bi0A1 LEU 36 HB2 0.01 -0.04 0.14 -0.04 1.64 1.71 2bi0A1 LEU 36 HB3 0.01 0.07 -0.01 -0.04 1.64 1.67 2bi0A1 LEU 36 HG 0.00 -0.11 0.10 -0.04 1.64 1.59 2bi0A1 LEU 36 HD13 -0.00 0.00 0.04 -0.04 0.93 0.92 2bi0A1 LEU 36 HD23 0.01 0.04 0.02 -0.04 0.89 0.91 2bi0A1 ALA 37 H 0.01 0.40 -0.10 -0.55 8.40 8.16 2bi0A1 ALA 37 HA 0.01 -0.00 0.44 -0.75 4.34 4.03 2bi0A1 ALA 37 HB3 0.02 0.04 0.10 -0.04 1.41 1.52 2bi0A1 ALA 38 H 0.01 0.49 -0.27 -0.55 8.40 8.09 2bi0A1 ALA 38 HA 0.01 0.04 0.42 -0.75 4.34 4.06 2bi0A1 ALA 38 HB3 0.00 0.02 0.10 -0.04 1.41 1.50 2bi0A1 ALA 39 H 0.02 0.46 -0.16 -0.55 8.40 8.17 2bi0A1 ALA 39 HA -0.01 0.04 0.44 -0.75 4.34 4.06 2bi0A1 ALA 39 HB3 0.01 0.02 0.08 -0.04 1.41 1.47 2bi0A1 HIS 40 H 0.09 0.56 -0.16 -0.55 8.41 8.36 2bi0A1 HIS 40 HA -0.09 0.02 0.39 -0.75 4.63 4.19 2bi0A1 HIS 40 HB2 -0.05 0.13 0.11 -0.04 3.26 3.41 2bi0A1 HIS 40 HB3 -0.09 0.08 0.13 -0.04 3.20 3.27 2bi0A1 HIS 40 HD2 -0.04 0.06 -0.06 -0.04 6.97 6.89 2bi0A1 HIS 40 HE1 -0.17 -0.04 -0.19 -0.04 7.75 7.30 2bi0A1 GLN 41 H 0.03 0.54 -0.20 -0.55 8.47 8.28 2bi0A1 GLN 41 HA -0.08 0.03 0.18 -0.75 4.36 3.74 2bi0A1 GLN 41 HB2 -0.02 -0.01 0.05 -0.04 2.15 2.12 2bi0A1 GLN 41 HB3 -0.01 0.14 0.16 -0.04 2.02 2.27 2bi0A1 GLN 41 HG2 -0.02 0.03 -0.22 -0.04 2.40 2.16 2bi0A1 GLN 41 HG3 -0.02 -0.13 -0.05 -0.04 2.39 2.16 2bi0A1 GLN 41 HE21 0.00 -0.00 0.00 -0.04 6.97 6.93 2bi0A1 GLN 41 HE22 -0.00 -0.01 -0.02 -0.04 7.69 7.61 2bi0A1 SER 42 H -0.04 0.45 -0.28 -0.55 8.46 8.04 2bi0A1 SER 42 HA -0.03 0.02 0.39 -0.75 4.49 4.11 2bi0A1 SER 42 HB2 -0.02 -0.07 0.09 -0.04 3.95 3.91 2bi0A1 SER 42 HB3 -0.02 0.07 0.13 -0.04 3.93 4.07 2bi0A1 ILE 43 H -0.14 0.28 -0.44 -0.55 8.25 7.41 2bi0A1 ILE 43 HA -0.09 0.08 0.50 -0.75 4.18 3.92 2bi0A1 ILE 43 HB -0.31 0.04 0.14 -0.04 1.89 1.71 2bi0A1 ILE 43 HG12 -0.07 -0.07 0.02 -0.04 1.49 1.33 2bi0A1 ILE 43 HG13 -0.09 0.03 -0.07 -0.04 1.21 1.04 2bi0A1 ILE 43 HG23 -0.36 0.02 -0.06 -0.04 0.93 0.49 2bi0A1 ILE 43 HD13 -0.09 -0.04 -0.12 -0.04 0.88 0.59 2bi0A1 VAL 44 H -0.27 0.50 0.12 -0.55 8.24 8.05 2bi0A1 VAL 44 HA -0.14 0.28 1.07 -0.75 4.13 4.59 2bi0A1 VAL 44 HB -0.19 -0.08 -0.15 -0.04 2.12 1.67 2bi0A1 VAL 44 HG13 -0.48 -0.02 -0.10 -0.04 0.97 0.33 2bi0A1 VAL 44 HG23 -0.37 0.08 -0.10 -0.04 0.95 0.52 2bi0A1 GLY 45 H -0.11 0.29 -0.07 -0.55 8.43 8.00 2bi0A1 GLY 45 HA2 -0.04 0.13 0.35 -0.51 4.01 3.94 2bi0A1 GLY 45 HA3 -0.03 0.08 0.53 -0.51 4.01 4.08 2bi0A1 ASN 46 H -0.01 0.30 0.02 -0.55 8.53 8.30 2bi0A1 ASN 46 HA 0.04 0.01 0.54 -0.75 4.76 4.60 2bi0A1 ASN 46 HB2 -0.10 0.06 -0.13 -0.04 2.88 2.68 2bi0A1 ASN 46 HB3 -0.00 0.02 0.04 -0.04 2.79 2.81 2bi0A1 ASN 46 HD21 0.11 0.07 -0.17 -0.04 7.03 7.00 2bi0A1 ASN 46 HD22 0.04 0.01 -0.06 -0.04 7.74 7.68 2bi0A1 ARG 47 H 0.09 0.11 0.03 -0.55 8.46 8.13 2bi0A1 ARG 47 HA 0.04 0.22 0.62 -0.75 4.34 4.47 2bi0A1 ARG 47 HB2 0.06 -0.01 -0.10 -0.04 1.90 1.80 2bi0A1 ARG 47 HB3 0.05 0.10 0.08 -0.04 1.80 1.98 2bi0A1 ARG 47 HG2 0.03 0.09 -0.03 -0.04 1.67 1.71 2bi0A1 ARG 47 HG3 0.03 -0.15 -0.44 -0.04 1.67 1.07 2bi0A1 ARG 47 HD2 0.02 -0.02 -0.09 -0.04 3.22 3.10 2bi0A1 ARG 47 HD3 0.04 0.04 -0.15 -0.04 3.22 3.11 2bi0A1 LEU 48 H 0.11 -0.04 0.00 -0.55 8.37 7.90 2bi0A1 LEU 48 HA 0.06 0.24 0.61 -0.75 4.35 4.50 2bi0A1 LEU 48 HB2 0.07 -0.07 0.12 -0.04 1.64 1.72 2bi0A1 LEU 48 HB3 -0.03 0.02 -0.00 -0.04 1.64 1.59 2bi0A1 LEU 48 HG 0.07 -0.05 -0.01 -0.04 1.64 1.61 2bi0A1 LEU 48 HD13 -0.36 -0.01 0.00 -0.04 0.93 0.52 2bi0A1 LEU 48 HD23 -0.00 0.07 -0.20 -0.04 0.89 0.71 2bi0A1 ARG 49 H 0.10 0.37 0.21 -0.55 8.46 8.59 2bi0A1 ARG 49 HA 0.04 0.08 0.09 -0.75 4.34 3.79 2bi0A1 ARG 49 HB2 0.22 0.02 0.16 -0.04 1.90 2.25 2bi0A1 ARG 49 HB3 0.04 -0.06 0.04 -0.04 1.80 1.79 2bi0A1 ARG 49 HG2 0.03 -0.05 0.06 -0.04 1.67 1.68 2bi0A1 ARG 49 HG3 0.09 0.23 0.19 -0.04 1.67 2.15 2bi0A1 ARG 49 HD2 0.20 -0.03 0.05 -0.04 3.22 3.40 2bi0A1 ARG 49 HD3 -0.08 -0.08 0.02 -0.04 3.22 3.05 2bi0A1 LEU 50 H 0.04 0.21 -0.11 -0.55 8.37 7.96 2bi0A1 LEU 50 HA -0.04 0.05 0.39 -0.75 4.35 4.00 2bi0A1 LEU 50 HB2 -0.14 0.12 0.06 -0.04 1.64 1.63 2bi0A1 LEU 50 HB3 -0.26 -0.02 0.06 -0.04 1.64 1.38 2bi0A1 LEU 50 HG 0.10 0.01 0.06 -0.04 1.64 1.76 2bi0A1 LEU 50 HD13 -0.36 0.04 -0.01 -0.04 0.93 0.56 2bi0A1 LEU 50 HD23 0.02 -0.01 -0.11 -0.04 0.89 0.75 2bi0A1 ALA 51 H -0.01 0.22 -0.45 -0.55 8.40 7.62 2bi0A1 ALA 51 HA -0.02 0.19 0.66 -0.75 4.34 4.42 2bi0A1 ALA 51 HB3 0.06 -0.02 0.02 -0.04 1.41 1.43 2bi0A1 LEU 52 H 0.01 0.32 -0.36 -0.55 8.37 7.79 2bi0A1 LEU 52 HA 0.01 0.13 0.80 -0.75 4.35 4.54 2bi0A1 LEU 52 HB2 0.02 0.09 0.01 -0.04 1.64 1.72 2bi0A1 LEU 52 HB3 0.01 -0.05 -0.06 -0.04 1.64 1.50 2bi0A1 LEU 52 HG 0.04 -0.06 -0.34 -0.04 1.64 1.25 2bi0A1 LEU 52 HD13 0.03 0.05 -0.19 -0.04 0.93 0.78 2bi0A1 LEU 52 HD23 0.02 0.01 -0.03 -0.04 0.89 0.85 2bi0A1 ASP 53 H -0.01 0.37 0.01 -0.55 8.40 8.22 2bi0A1 ASP 53 HA -0.01 0.15 0.74 -0.75 4.63 4.75 2bi0A1 ASP 53 HB2 -0.02 0.11 -0.00 -0.04 2.71 2.76 2bi0A1 ASP 53 HB3 -0.02 0.11 0.20 -0.04 2.70 2.95 2bi0A1 SER 54 H -0.02 0.27 0.14 -0.55 8.46 8.31 2bi0A1 SER 54 HA -0.04 0.10 0.48 -0.75 4.49 4.28 2bi0A1 SER 54 HB2 -0.02 0.02 0.07 -0.04 3.95 3.98 2bi0A1 SER 54 HB3 -0.02 0.04 0.02 -0.04 3.93 3.93 2bi0A1 ASP 55 H -0.03 0.10 -0.13 -0.55 8.40 7.79 2bi0A1 ASP 55 HA -0.03 0.14 0.50 -0.75 4.63 4.49 2bi0A1 ASP 55 HB2 -0.02 0.03 0.08 -0.04 2.71 2.75 2bi0A1 ASP 55 HB3 -0.03 -0.03 0.08 -0.04 2.70 2.68 2bi0A1 LEU 56 H -0.04 0.08 -0.17 -0.55 8.37 7.69 2bi0A1 LEU 56 HA -0.05 0.10 0.44 -0.75 4.35 4.09 2bi0A1 LEU 56 HB2 -0.06 0.02 0.05 -0.04 1.64 1.61 2bi0A1 LEU 56 HB3 -0.04 0.11 0.05 -0.04 1.64 1.72 2bi0A1 LEU 56 HG 0.02 -0.04 -0.25 -0.04 1.64 1.33 2bi0A1 LEU 56 HD13 -0.10 0.01 -0.05 -0.04 0.93 0.74 2bi0A1 LEU 56 HD23 -0.08 0.02 -0.12 -0.04 0.89 0.67 2bi0A1 CYS 57 H -0.06 0.53 -0.10 -0.55 8.50 8.32 2bi0A1 CYS 57 HA -0.18 0.01 0.46 -0.75 4.58 4.12 2bi0A1 CYS 57 HB2 -0.09 0.26 0.23 -0.04 2.97 3.32 2bi0A1 CYS 57 HB3 -0.08 -0.00 0.15 -0.04 2.97 2.99 2bi0A1 ALA 58 H -0.06 0.53 -0.22 -0.55 8.40 8.11 2bi0A1 ALA 58 HA -0.06 -0.02 0.43 -0.75 4.34 3.93 2bi0A1 ALA 58 HB3 -0.03 0.04 0.06 -0.04 1.41 1.43 2bi0A1 ALA 59 H -0.05 0.46 -0.20 -0.55 8.40 8.06 2bi0A1 ALA 59 HA -0.03 0.03 0.42 -0.75 4.34 4.00 2bi0A1 ALA 59 HB3 -0.04 -0.00 0.08 -0.04 1.41 1.41 2bi0A1 VAL 60 H -0.09 0.50 -0.22 -0.55 8.24 7.87 2bi0A1 VAL 60 HA -0.08 0.04 0.55 -0.75 4.13 3.88 2bi0A1 VAL 60 HB -0.18 0.07 0.16 -0.04 2.12 2.13 2bi0A1 VAL 60 HG13 -0.11 -0.02 -0.17 -0.04 0.97 0.63 2bi0A1 VAL 60 HG23 0.10 -0.00 -0.02 -0.04 0.95 0.99 2bi0A1 THR 61 H -0.24 0.72 0.11 -0.55 8.28 8.33 2bi0A1 THR 61 HA -0.35 0.11 0.57 -0.75 4.39 3.97 2bi0A1 THR 61 HB -0.35 -0.01 0.02 -0.04 4.32 3.94 2bi0A1 THR 61 HG23 -1.51 -0.02 -0.01 -0.04 1.22 -0.37 2bi0A1 GLY 62 H -0.07 0.33 -0.05 -0.55 8.43 8.09 2bi0A1 GLY 62 HA2 0.00 0.13 0.26 -0.51 4.01 3.89 2bi0A1 GLY 62 HA3 0.05 0.06 0.26 -0.51 4.01 3.88 2bi0A1 PRO 64 HA 0.03 -0.03 0.30 -0.51 4.44 4.22 2bi0A1 PRO 64 HB2 0.04 -0.02 -0.06 -0.04 2.28 2.20 2bi0A1 PRO 64 HB3 0.03 -0.02 0.10 -0.04 2.02 2.09 2bi0A1 PRO 64 HG2 0.06 -0.06 0.08 -0.04 2.03 2.07 2bi0A1 PRO 64 HG3 0.06 -0.04 0.03 -0.04 2.03 2.04 2bi0A1 PRO 64 HD2 0.10 0.01 0.00 -0.04 3.68 3.75 2bi0A1 PRO 64 HD3 0.06 0.02 -0.19 -0.04 3.65 3.50 2bi0A1 GLY 65 H 0.03 0.29 0.19 -0.55 8.43 8.41 2bi0A1 GLY 65 HA2 0.01 0.09 0.43 -0.51 4.01 4.02 2bi0A1 GLY 65 HA3 0.02 0.07 0.38 -0.51 4.01 3.96 2bi0A1 PRO 66 HA -0.04 0.09 0.46 -0.51 4.44 4.44 2bi0A1 PRO 66 HB2 -0.01 0.06 -0.12 -0.04 2.28 2.18 2bi0A1 PRO 66 HB3 -0.02 0.00 0.06 -0.04 2.02 2.02 2bi0A1 PRO 66 HG2 0.00 -0.05 0.02 -0.04 2.03 1.96 2bi0A1 PRO 66 HG3 -0.00 0.04 0.04 -0.04 2.03 2.06 2bi0A1 PRO 66 HD2 0.00 0.13 0.21 -0.04 3.68 3.99 2bi0A1 PRO 66 HD3 -0.01 0.15 0.10 -0.04 3.65 3.85 2bi0A1 LEU 67 H -0.05 0.23 0.11 -0.55 8.37 8.11 2bi0A1 LEU 67 HA 0.01 0.17 0.40 -0.75 4.35 4.17 2bi0A1 LEU 67 HB2 -0.17 0.01 -0.01 -0.04 1.64 1.42 2bi0A1 LEU 67 HB3 -0.09 0.04 -0.14 -0.04 1.64 1.41 2bi0A1 LEU 67 HG -0.04 0.10 -0.61 -0.04 1.64 1.04 2bi0A1 LEU 67 HD13 0.03 0.02 -0.08 -0.04 0.93 0.86 2bi0A1 LEU 67 HD23 -0.19 -0.05 -0.15 -0.04 0.89 0.46 2bi0A1 ALA 68 H 0.06 0.42 0.18 -0.55 8.40 8.52 2bi0A1 ALA 68 HA 0.04 -0.05 0.38 -0.75 4.34 3.95 2bi0A1 ALA 68 HB3 0.07 0.02 -0.14 -0.04 1.41 1.31 2bi0A1 HIS 69 H 0.10 0.09 0.17 -0.55 8.41 8.23 2bi0A1 HIS 69 HA -0.02 0.15 0.41 -0.75 4.63 4.41 2bi0A1 HIS 69 HB2 -0.03 0.15 0.17 -0.04 3.26 3.50 2bi0A1 HIS 69 HB3 -0.13 -0.10 0.15 -0.04 3.20 3.08 2bi0A1 HIS 69 HD2 0.00 0.04 0.05 -0.04 6.97 7.02 2bi0A1 HIS 69 HE1 0.01 0.08 -0.02 -0.04 7.75 7.77 2bi0A1 PRO 70 HA 0.12 0.12 0.43 -0.51 4.44 4.61 2bi0A1 PRO 70 HB2 0.08 0.02 -0.01 -0.04 2.28 2.34 2bi0A1 PRO 70 HB3 -0.33 0.16 0.15 -0.04 2.02 1.96 2bi0A1 PRO 70 HG2 -0.37 -0.02 0.11 -0.04 2.03 1.72 2bi0A1 PRO 70 HG3 -0.25 -0.07 0.16 -0.04 2.03 1.83 2bi0A1 PRO 70 HD2 -0.61 0.03 0.25 -0.04 3.68 3.31 2bi0A1 PRO 70 HD3 -0.22 0.30 0.18 -0.04 3.65 3.87 2bi0A1 GLY 71 H 0.11 0.13 -0.24 -0.55 8.43 7.88 2bi0A1 GLY 71 HA2 0.15 0.09 0.39 -0.51 4.01 4.13 2bi0A1 GLY 71 HA3 0.25 0.10 0.21 -0.51 4.01 4.05 2bi0A1 LEU 72 H 0.08 0.11 -0.30 -0.55 8.37 7.71 2bi0A1 LEU 72 HA -0.50 0.07 0.40 -0.75 4.35 3.57 2bi0A1 LEU 72 HB2 -0.76 -0.01 0.03 -0.04 1.64 0.86 2bi0A1 LEU 72 HB3 -0.13 0.14 0.06 -0.04 1.64 1.67 2bi0A1 LEU 72 HG -0.06 0.04 -0.42 -0.04 1.64 1.16 2bi0A1 LEU 72 HD13 -0.06 0.01 -0.09 -0.04 0.93 0.75 2bi0A1 LEU 72 HD23 -0.03 -0.03 -0.12 -0.04 0.89 0.67 2bi0A1 VAL 73 H 0.09 0.47 -0.21 -0.55 8.24 8.04 2bi0A1 VAL 73 HA 0.07 0.03 0.37 -0.75 4.13 3.85 2bi0A1 VAL 73 HB 0.38 0.10 0.07 -0.04 2.12 2.63 2bi0A1 VAL 73 HG13 0.20 0.00 -0.16 -0.04 0.97 0.98 2bi0A1 VAL 73 HG23 0.15 0.04 -0.13 -0.04 0.95 0.98 2bi0A1 CYS 74 H 0.20 0.56 -0.19 -0.55 8.50 8.52 2bi0A1 CYS 74 HA -0.11 0.03 0.37 -0.75 4.58 4.12 2bi0A1 CYS 74 HB2 0.23 0.05 0.07 -0.04 2.97 3.29 2bi0A1 CYS 74 HB3 0.19 -0.06 -0.08 -0.04 2.97 2.98 2bi0A1 ASP 75 H 0.09 0.54 -0.25 -0.55 8.40 8.24 2bi0A1 ASP 75 HA 0.18 -0.06 0.32 -0.75 4.63 4.31 2bi0A1 ASP 75 HB2 0.14 0.08 0.11 -0.04 2.71 3.00 2bi0A1 ASP 75 HB3 0.15 -0.01 -0.06 -0.04 2.70 2.73 2bi0A1 VAL 76 H 0.04 0.58 -0.21 -0.55 8.24 8.10 2bi0A1 VAL 76 HA 0.00 0.13 0.51 -0.75 4.13 4.02 2bi0A1 VAL 76 HB 0.01 0.08 0.10 -0.04 2.12 2.28 2bi0A1 VAL 76 HG13 -0.02 -0.00 -0.17 -0.04 0.97 0.74 2bi0A1 VAL 76 HG23 0.00 0.01 -0.03 -0.04 0.95 0.89 2bi0A1 ALA 77 H 0.03 0.48 -0.18 -0.55 8.40 8.18 2bi0A1 ALA 77 HA 0.07 0.04 0.31 -0.75 4.34 4.00 2bi0A1 ALA 77 HB3 0.12 0.01 0.04 -0.04 1.41 1.53 2bi0A1 ILE 78 H 0.08 0.55 -0.20 -0.55 8.25 8.13 2bi0A1 ILE 78 HA 0.26 0.04 0.31 -0.75 4.18 4.04 2bi0A1 ILE 78 HB 0.15 0.03 0.08 -0.04 1.89 2.11 2bi0A1 ILE 78 HG12 0.28 -0.02 -0.08 -0.04 1.49 1.62 2bi0A1 ILE 78 HG13 -0.06 0.10 -0.02 -0.04 1.21 1.19 2bi0A1 ILE 78 HG23 0.31 -0.03 -0.15 -0.04 0.93 1.01 2bi0A1 ILE 78 HD13 -0.24 -0.05 -0.14 -0.04 0.88 0.42 2bi0A1 GLY 79 H -0.00 0.74 -0.08 -0.55 8.43 8.55 2bi0A1 GLY 79 HA2 -0.08 -0.21 0.30 -0.51 4.01 3.50 2bi0A1 GLY 79 HA3 -0.07 0.35 0.21 -0.51 4.01 3.99 2bi0A1 GLN 80 H -0.01 0.74 -0.13 -0.55 8.47 8.53 2bi0A1 GLN 80 HA -0.05 0.01 0.46 -0.75 4.36 4.04 2bi0A1 GLN 80 HB2 -0.00 0.11 0.09 -0.04 2.15 2.31 2bi0A1 GLN 80 HB3 -0.04 -0.07 -0.05 -0.04 2.02 1.83 2bi0A1 GLN 80 HG2 -0.03 0.03 -0.00 -0.04 2.40 2.36 2bi0A1 GLN 80 HG3 -0.02 0.13 0.02 -0.04 2.39 2.48 2bi0A1 GLN 80 HE21 -0.10 0.16 -0.04 -0.04 6.97 6.95 2bi0A1 GLN 80 HE22 -0.05 0.41 0.06 -0.04 7.69 8.07 2bi0A1 SER 81 H -0.01 0.42 -0.38 -0.55 8.46 7.94 2bi0A1 SER 81 HA -0.15 0.02 0.27 -0.75 4.49 3.88 2bi0A1 SER 81 HB2 -0.14 -0.09 0.01 -0.04 3.95 3.69 2bi0A1 SER 81 HB3 -0.04 0.16 0.01 -0.04 3.93 4.01 2bi0A1 THR 82 H -0.07 0.62 -0.55 -0.55 8.28 7.73 2bi0A1 THR 82 HA -0.10 -0.01 0.21 -0.75 4.39 3.74 2bi0A1 THR 82 HB -0.04 -0.11 -0.03 -0.04 4.32 4.10 2bi0A1 THR 82 HG23 0.01 0.06 -0.02 -0.04 1.22 1.23 2bi0A1 LEU 83 H -0.17 0.42 -0.35 -0.55 8.37 7.72 2bi0A1 LEU 83 HA -0.11 0.04 0.45 -0.75 4.35 3.98 2bi0A1 LEU 83 HB2 -0.26 0.22 0.13 -0.04 1.64 1.69 2bi0A1 LEU 83 HB3 -0.40 -0.03 -0.01 -0.04 1.64 1.15 2bi0A1 LEU 83 HG -0.11 0.04 0.03 -0.04 1.64 1.55 2bi0A1 LEU 83 HD13 -0.85 0.01 -0.10 -0.04 0.93 -0.06 2bi0A1 LEU 83 HD23 0.15 -0.01 -0.02 -0.04 0.89 0.97 2bi0A1 ALA 84 H -0.47 0.34 -0.16 -0.55 8.40 7.56 2bi0A1 ALA 84 HA -0.70 0.07 0.44 -0.75 4.34 3.39 2bi0A1 ALA 84 HB3 -1.06 0.01 0.01 -0.04 1.41 0.33 2bi0A1 THR 85 H -0.21 0.19 -0.46 -0.55 8.28 7.25 2bi0A1 THR 85 HA -0.13 0.28 0.91 -0.75 4.39 4.70 2bi0A1 THR 85 HB -0.09 -0.10 0.14 -0.04 4.32 4.23 2bi0A1 THR 85 HG23 -0.14 0.01 -0.20 -0.04 1.22 0.85 2bi0A1 GLN 86 H -0.12 0.35 -0.22 -0.55 8.47 7.94 2bi0A1 GLN 86 HA -0.07 -0.04 0.42 -0.75 4.36 3.92 2bi0A1 GLN 86 HB2 -0.08 0.13 0.05 -0.04 2.15 2.21 2bi0A1 GLN 86 HB3 -0.07 -0.04 0.07 -0.04 2.02 1.95 2bi0A1 GLN 86 HG2 -0.05 0.01 -0.05 -0.04 2.40 2.27 2bi0A1 GLN 86 HG3 -0.08 0.21 0.07 -0.04 2.39 2.55 2bi0A1 GLN 86 HE21 0.03 -0.13 -0.02 -0.04 6.97 6.81 2bi0A1 GLN 86 HE22 -0.03 0.50 0.16 -0.04 7.69 8.28 2bi0A1 ARG 87 H -0.10 0.18 -0.28 -0.55 8.46 7.70 2bi0A1 ARG 87 HA -0.08 0.09 0.60 -0.75 4.34 4.20 2bi0A1 ARG 87 HB2 -0.11 0.15 0.02 -0.04 1.90 1.92 2bi0A1 ARG 87 HB3 -0.07 -0.06 0.13 -0.04 1.80 1.76 2bi0A1 ARG 87 HG2 -0.16 -0.07 -0.03 -0.04 1.67 1.36 2bi0A1 ARG 87 HG3 -0.18 0.15 -0.11 -0.04 1.67 1.49 2bi0A1 ARG 87 HD2 -0.48 0.13 -0.45 -0.04 3.22 2.38 2bi0A1 ARG 87 HD3 -0.58 -0.12 -0.12 -0.04 3.22 2.37 2bi0A1 VAL 88 H -0.08 0.40 -0.48 -0.55 8.24 7.52 2bi0A1 VAL 88 HA -0.06 0.02 0.27 -0.75 4.13 3.60 2bi0A1 VAL 88 HB -0.08 0.16 0.13 -0.04 2.12 2.30 2bi0A1 VAL 88 HG13 -0.09 -0.03 -0.12 -0.04 0.97 0.68 2bi0A1 VAL 88 HG23 -0.08 -0.06 -0.10 -0.04 0.95 0.67 2bi0A1 LYS 89 H -0.05 0.14 0.26 -0.55 8.42 8.21 2bi0A1 LYS 89 HA -0.04 0.19 0.94 -0.75 4.32 4.66 2bi0A1 LYS 89 HB2 -0.04 0.00 0.12 -0.04 1.87 1.91 2bi0A1 LYS 89 HB3 -0.03 -0.01 0.06 -0.04 1.79 1.77 2bi0A1 LYS 89 HG2 -0.02 0.04 0.05 -0.04 1.46 1.49 2bi0A1 LYS 89 HG3 -0.03 0.04 0.06 -0.04 1.46 1.49 2bi0A1 LYS 89 HD2 -0.02 0.01 -0.06 -0.04 1.69 1.57 2bi0A1 LYS 89 HD3 -0.04 -0.01 -0.04 -0.04 1.68 1.56 2bi0A1 LYS 89 HE2 -0.01 0.00 0.04 -0.04 2.99 2.98 2bi0A1 LYS 89 HE3 -0.00 0.00 0.03 -0.04 2.99 2.98 2bi0A1 ALA 90 H -0.07 0.20 0.18 -0.55 8.40 8.16 2bi0A1 ALA 90 HA -0.07 0.05 0.35 -0.75 4.34 3.91 2bi0A1 ALA 90 HB3 -0.06 0.06 -0.07 -0.04 1.41 1.30 2bi0A1 ASN 91 H -0.16 0.12 0.09 -0.55 8.53 8.03 2bi0A1 ASN 91 HA -0.22 0.25 1.07 -0.75 4.76 5.10 2bi0A1 ASN 91 HB2 -0.45 -0.08 0.10 -0.04 2.88 2.40 2bi0A1 ASN 91 HB3 -0.56 0.00 -0.10 -0.04 2.79 2.09 2bi0A1 ASN 91 HD21 0.03 0.05 -0.07 -0.04 7.03 7.00 2bi0A1 ASN 91 HD22 -0.04 -0.07 -0.02 -0.04 7.74 7.57 2bi0A1 LEU 92 H -0.26 0.65 0.29 -0.55 8.37 8.50 2bi0A1 LEU 92 HA -0.03 0.11 0.53 -0.75 4.35 4.21 2bi0A1 LEU 92 HB2 -0.16 -0.02 0.08 -0.04 1.64 1.51 2bi0A1 LEU 92 HB3 0.09 0.00 0.08 -0.04 1.64 1.77 2bi0A1 LEU 92 HG -0.12 0.04 -0.02 -0.04 1.64 1.50 2bi0A1 LEU 92 HD13 0.01 -0.00 -0.05 -0.04 0.93 0.85 2bi0A1 LEU 92 HD23 -0.05 -0.02 -0.21 -0.04 0.89 0.57 2bi0A1 PHE 93 H -0.41 0.18 0.07 -0.55 8.34 7.62 2bi0A1 PHE 93 HA 0.22 0.02 0.31 -0.75 4.62 4.41 2bi0A1 PHE 93 HB2 0.14 0.17 0.08 -0.04 3.15 3.50 2bi0A1 PHE 93 HB3 0.11 0.20 -0.05 -0.04 3.06 3.28 2bi0A1 PHE 93 HD2 0.07 0.02 -0.40 -0.04 7.28 6.93 2bi0A1 PHE 93 HE2 0.03 0.02 -0.18 -0.04 7.38 7.21 2bi0A1 PHE 93 HZ 0.01 0.05 -0.11 -0.04 7.32 7.23 2bi0A1 TYR 94 H 0.53 0.13 0.22 -0.55 8.29 8.62 2bi0A1 TYR 94 HA 0.23 0.29 0.90 -0.75 4.56 5.23 2bi0A1 TYR 94 HB2 0.24 -0.11 0.09 -0.04 3.06 3.24 2bi0A1 TYR 94 HB3 -0.01 0.08 0.09 -0.04 2.98 3.10 2bi0A1 TYR 94 HD2 0.38 0.04 -0.03 -0.04 7.15 7.50 2bi0A1 TYR 94 HE2 0.18 -0.01 -0.10 -0.04 6.85 6.88 2bi0A1 ARG 95 H 0.34 0.80 0.36 -0.55 8.46 9.41 2bi0A1 ARG 95 HA 0.15 0.07 1.15 -0.75 4.34 4.96 2bi0A1 ARG 95 HB2 0.25 0.02 -0.30 -0.04 1.90 1.83 2bi0A1 ARG 95 HB3 0.38 -0.01 -0.07 -0.04 1.80 2.05 2bi0A1 ARG 95 HG2 0.09 0.07 -0.04 -0.04 1.67 1.74 2bi0A1 ARG 95 HG3 0.02 -0.09 0.10 -0.04 1.67 1.65 2bi0A1 ARG 95 HD2 0.03 0.11 -0.01 -0.04 3.22 3.30 2bi0A1 ARG 95 HD3 -0.09 0.13 -0.02 -0.04 3.22 3.19 2bi0A1 GLY 96 H 0.05 0.15 0.23 -0.55 8.43 8.31 2bi0A1 GLY 96 HA2 0.05 0.04 0.29 -0.51 4.01 3.87 2bi0A1 GLY 96 HA3 0.16 0.09 0.30 -0.51 4.01 4.06 2bi0A1 LEU 97 H -0.29 0.26 -0.01 -0.55 8.37 7.79 2bi0A1 LEU 97 HA -0.29 0.06 0.56 -0.75 4.35 3.93 2bi0A1 LEU 97 HB2 -1.24 0.01 0.16 -0.04 1.64 0.52 2bi0A1 LEU 97 HB3 -0.79 -0.01 -0.00 -0.04 1.64 0.80 2bi0A1 LEU 97 HG -0.89 0.03 -0.06 -0.04 1.64 0.69 2bi0A1 LEU 97 HD13 -1.26 -0.02 -0.16 -0.04 0.93 -0.54 2bi0A1 LEU 97 HD23 -1.10 -0.01 -0.08 -0.04 0.89 -0.33 2bi0A1 ARG 98 H -0.12 0.35 0.24 -0.55 8.46 8.37 2bi0A1 ARG 98 HA -0.04 0.11 0.39 -0.75 4.34 4.05 2bi0A1 ARG 98 HB2 -0.04 -0.02 0.09 -0.04 1.90 1.89 2bi0A1 ARG 98 HB3 -0.09 0.06 0.08 -0.04 1.80 1.81 2bi0A1 ARG 98 HG2 -0.23 0.06 -0.08 -0.04 1.67 1.38 2bi0A1 ARG 98 HG3 -0.04 0.16 0.15 -0.04 1.67 1.89 2bi0A1 ARG 98 HD2 -0.03 -0.04 -0.01 -0.04 3.22 3.10 2bi0A1 ARG 98 HD3 -0.09 -0.01 0.02 -0.04 3.22 3.11 2bi0A1 PHE 99 H 0.15 0.45 0.21 -0.55 8.34 8.60 2bi0A1 PHE 99 HA -0.15 0.19 0.77 -0.75 4.62 4.68 2bi0A1 PHE 99 HB2 -0.50 -0.01 0.20 -0.04 3.15 2.81 2bi0A1 PHE 99 HB3 -0.98 0.06 -0.00 -0.04 3.06 2.10 2bi0A1 PHE 99 HD2 -0.13 0.17 -0.00 -0.04 7.28 7.28 2bi0A1 PHE 99 HE2 0.16 -0.08 -0.09 -0.04 7.38 7.32 2bi0A1 PHE 99 HZ 0.15 0.08 0.03 -0.04 7.32 7.54 2bi0A1 HIS 100 H 0.11 0.79 0.40 -0.55 8.41 9.16 2bi0A1 HIS 100 HA -0.05 0.08 0.83 -0.75 4.63 4.72 2bi0A1 HIS 100 HB2 -0.04 0.14 -0.19 -0.04 3.26 3.14 2bi0A1 HIS 100 HB3 -0.03 -0.12 0.09 -0.04 3.20 3.11 2bi0A1 HIS 100 HD2 -0.08 0.16 -0.03 -0.04 6.97 6.97 2bi0A1 HIS 100 HE1 -0.01 0.15 -0.20 -0.04 7.75 7.65 2bi0A1 ARG 101 H -0.03 0.33 0.27 -0.55 8.46 8.48 2bi0A1 ARG 101 HA -0.04 0.08 0.32 -0.75 4.34 3.94 2bi0A1 ARG 101 HB2 0.09 -0.04 0.07 -0.04 1.90 1.98 2bi0A1 ARG 101 HB3 0.05 0.14 -0.03 -0.04 1.80 1.93 2bi0A1 ARG 101 HG2 0.06 0.11 -0.10 -0.04 1.67 1.70 2bi0A1 ARG 101 HG3 0.08 -0.06 -0.48 -0.04 1.67 1.18 2bi0A1 ARG 101 HD2 0.06 0.02 -0.16 -0.04 3.22 3.10 2bi0A1 ARG 101 HD3 0.06 -0.07 -0.26 -0.04 3.22 2.92 2bi0A1 PHE 102 H 0.23 0.25 0.06 -0.55 8.34 8.32 2bi0A1 PHE 102 HA 0.10 0.16 0.84 -0.75 4.62 4.96 2bi0A1 PHE 102 HB2 0.32 0.02 0.12 -0.04 3.15 3.57 2bi0A1 PHE 102 HB3 0.18 0.04 0.03 -0.04 3.06 3.27 2bi0A1 PHE 102 HD2 -0.32 0.08 -0.06 -0.04 7.28 6.93 2bi0A1 PHE 102 HE2 -0.86 -0.02 -0.07 -0.04 7.38 6.39 2bi0A1 PHE 102 HZ -0.23 0.05 -0.03 -0.04 7.32 7.06 2bi0A1 PRO 103 HA 0.14 0.05 0.52 -0.51 4.44 4.63 2bi0A1 PRO 103 HB2 0.11 -0.02 -0.16 -0.04 2.28 2.17 2bi0A1 PRO 103 HB3 0.09 -0.00 -0.00 -0.04 2.02 2.07 2bi0A1 PRO 103 HG2 0.16 -0.00 -0.02 -0.04 2.03 2.12 2bi0A1 PRO 103 HG3 0.12 0.05 -0.06 -0.04 2.03 2.10 2bi0A1 PRO 103 HD2 0.24 0.07 0.19 -0.04 3.68 4.13 2bi0A1 PRO 103 HD3 0.17 0.38 0.08 -0.04 3.65 4.24 2bi0A1 ALA 104 H 0.10 0.09 0.15 -0.55 8.40 8.20 2bi0A1 ALA 104 HA 0.07 0.19 0.78 -0.75 4.34 4.63 2bi0A1 ALA 104 HB3 0.06 0.01 0.03 -0.04 1.41 1.47 2bi0A1 VAL 105 H 0.03 0.48 0.04 -0.55 8.24 8.25 2bi0A1 VAL 105 HA 0.03 -0.04 0.40 -0.75 4.13 3.75 2bi0A1 VAL 105 HB 0.02 0.05 0.00 -0.04 2.12 2.15 2bi0A1 VAL 105 HG13 0.01 -0.02 -0.14 -0.04 0.97 0.78 2bi0A1 VAL 105 HG23 0.02 -0.00 -0.26 -0.04 0.95 0.66 2bi0A1 GLY 106 H 0.02 0.68 0.24 -0.55 8.43 8.81 2bi0A1 GLY 106 HA2 0.01 -0.01 0.40 -0.51 4.01 3.91 2bi0A1 GLY 106 HA3 0.02 0.11 0.66 -0.51 4.01 4.29 2bi0A1 ASP 107 H 0.03 0.53 -0.18 -0.55 8.40 8.24 2bi0A1 ASP 107 HA 0.04 0.05 0.66 -0.75 4.63 4.62 2bi0A1 ASP 107 HB2 0.05 0.08 0.09 -0.04 2.71 2.89 2bi0A1 ASP 107 HB3 0.05 -0.04 0.04 -0.04 2.70 2.71 2bi0A1 THR 108 H 0.03 0.05 0.23 -0.55 8.28 8.04 2bi0A1 THR 108 HA -0.11 0.25 0.84 -0.75 4.39 4.62 2bi0A1 THR 108 HB -0.01 -0.08 0.07 -0.04 4.32 4.26 2bi0A1 THR 108 HG23 -0.42 0.01 -0.35 -0.04 1.22 0.42 2bi0A1 LEU 109 H -0.21 0.66 0.28 -0.55 8.37 8.55 2bi0A1 LEU 109 HA -0.06 0.30 0.89 -0.75 4.35 4.72 2bi0A1 LEU 109 HB2 -0.08 0.01 0.09 -0.04 1.64 1.62 2bi0A1 LEU 109 HB3 -0.02 0.02 -0.04 -0.04 1.64 1.56 2bi0A1 LEU 109 HG -0.02 -0.02 -0.11 -0.04 1.64 1.46 2bi0A1 LEU 109 HD13 0.03 -0.01 -0.05 -0.04 0.93 0.85 2bi0A1 LEU 109 HD23 0.04 0.00 -0.23 -0.04 0.89 0.66 2bi0A1 TYR 110 H 0.10 0.59 0.38 -0.55 8.29 8.80 2bi0A1 TYR 110 HA 0.00 0.20 0.85 -0.75 4.56 4.85 2bi0A1 TYR 110 HB2 -0.00 -0.04 0.07 -0.04 3.06 3.04 2bi0A1 TYR 110 HB3 -0.00 0.08 -0.03 -0.04 2.98 2.99 2bi0A1 TYR 110 HD2 0.01 0.10 -0.19 -0.04 7.15 7.03 2bi0A1 TYR 110 HE2 0.02 -0.08 -0.13 -0.04 6.85 6.62 2bi0A1 THR 111 H 0.06 0.28 0.10 -0.55 8.28 8.17 2bi0A1 THR 111 HA 0.02 0.34 1.19 -0.75 4.39 5.18 2bi0A1 THR 111 HB -0.01 -0.03 0.00 -0.04 4.32 4.24 2bi0A1 THR 111 HG23 -0.06 0.04 -0.31 -0.04 1.22 0.85 2bi0A1 ARG 112 H -0.05 0.80 0.40 -0.55 8.46 9.06 2bi0A1 ARG 112 HA -0.05 0.14 0.93 -0.75 4.34 4.60 2bi0A1 ARG 112 HB2 -0.03 -0.06 0.06 -0.04 1.90 1.83 2bi0A1 ARG 112 HB3 -0.05 0.09 0.24 -0.04 1.80 2.04 2bi0A1 ARG 112 HG2 -0.06 0.02 -0.29 -0.04 1.67 1.30 2bi0A1 ARG 112 HG3 -0.03 -0.06 -0.10 -0.04 1.67 1.44 2bi0A1 ARG 112 HD2 -0.03 -0.04 -0.04 -0.04 3.22 3.07 2bi0A1 ARG 112 HD3 -0.05 0.01 -0.02 -0.04 3.22 3.12 2bi0A1 THR 113 H -0.06 0.47 0.29 -0.55 8.28 8.43 2bi0A1 THR 113 HA -0.15 0.37 0.98 -0.75 4.39 4.83 2bi0A1 THR 113 HB -0.12 -0.08 0.23 -0.04 4.32 4.31 2bi0A1 THR 113 HG23 -0.18 -0.02 -0.10 -0.04 1.22 0.87 2bi0A1 GLU 114 H -0.10 0.77 0.28 -0.55 8.60 9.01 2bi0A1 GLU 114 HA 0.04 0.33 1.10 -0.75 4.29 5.01 2bi0A1 GLU 114 HB2 -0.03 -0.00 -0.04 -0.04 2.09 1.97 2bi0A1 GLU 114 HB3 -0.04 -0.08 0.07 -0.04 1.99 1.90 2bi0A1 GLU 114 HG2 0.01 0.03 -0.39 -0.04 2.34 1.94 2bi0A1 GLU 114 HG3 0.00 0.15 -0.13 -0.04 2.34 2.31 2bi0A1 VAL 115 H 0.07 0.64 0.23 -0.55 8.24 8.63 2bi0A1 VAL 115 HA 0.03 0.15 0.79 -0.75 4.13 4.35 2bi0A1 VAL 115 HB 0.04 0.01 0.27 -0.04 2.12 2.39 2bi0A1 VAL 115 HG13 0.02 -0.04 -0.20 -0.04 0.97 0.70 2bi0A1 VAL 115 HG23 0.15 0.01 -0.00 -0.04 0.95 1.07 2bi0A1 VAL 116 H 0.04 0.65 0.39 -0.55 8.24 8.78 2bi0A1 VAL 116 HA 0.05 0.09 0.72 -0.75 4.13 4.23 2bi0A1 VAL 116 HB 0.12 0.06 -0.12 -0.04 2.12 2.13 2bi0A1 VAL 116 HG13 0.08 -0.02 -0.14 -0.04 0.97 0.85 2bi0A1 VAL 116 HG23 0.14 0.01 -0.07 -0.04 0.95 0.99 2bi0A1 GLY 117 H 0.04 0.39 0.15 -0.55 8.43 8.47 2bi0A1 GLY 117 HA2 0.04 0.06 0.57 -0.51 4.01 4.17 2bi0A1 GLY 117 HA3 0.05 0.05 0.17 -0.51 4.01 3.78 2bi0A1 LEU 118 H 0.07 0.21 0.17 -0.55 8.37 8.27 2bi0A1 LEU 118 HA 0.19 0.40 0.93 -0.75 4.35 5.11 2bi0A1 LEU 118 HB2 0.03 -0.12 0.03 -0.04 1.64 1.54 2bi0A1 LEU 118 HB3 0.01 0.09 -0.04 -0.04 1.64 1.66 2bi0A1 LEU 118 HG -0.01 -0.15 -0.49 -0.04 1.64 0.95 2bi0A1 LEU 118 HD13 -0.21 -0.03 -0.31 -0.04 0.93 0.34 2bi0A1 LEU 118 HD23 -0.09 0.04 -0.02 -0.04 0.89 0.79 2bi0A1 ARG 119 H 0.28 0.62 0.20 -0.55 8.46 9.00 2bi0A1 ARG 119 HA 0.17 0.14 0.54 -0.75 4.34 4.45 2bi0A1 ARG 119 HB2 0.08 0.10 -0.14 -0.04 1.90 1.90 2bi0A1 ARG 119 HB3 0.04 -0.10 0.06 -0.04 1.80 1.76 2bi0A1 ARG 119 HG2 0.04 0.22 -0.16 -0.04 1.67 1.73 2bi0A1 ARG 119 HG3 0.07 -0.03 0.08 -0.04 1.67 1.74 2bi0A1 ARG 119 HD2 0.04 -0.02 -0.02 -0.04 3.22 3.18 2bi0A1 ARG 119 HD3 0.04 0.11 -0.00 -0.04 3.22 3.33 2bi0A1 ALA 120 H 0.23 0.61 0.21 -0.55 8.40 8.89 2bi0A1 ALA 120 HA -0.51 -0.03 0.64 -0.75 4.34 3.69 2bi0A1 ALA 120 HB3 0.39 -0.00 0.15 -0.04 1.41 1.91 2bi0A1 ASN 121 H -0.25 0.57 0.47 -0.55 8.53 8.77 2bi0A1 ASN 121 HA -0.04 0.02 0.64 -0.75 4.76 4.63 2bi0A1 ASN 121 HB2 -0.10 0.07 0.05 -0.04 2.88 2.86 2bi0A1 ASN 121 HB3 -0.04 0.06 -0.01 -0.04 2.79 2.76 2bi0A1 ASN 121 HD21 -0.13 0.01 -0.26 -0.04 7.03 6.60 2bi0A1 ASN 121 HD22 -0.16 -0.03 -0.30 -0.04 7.74 7.20 2bi0A1 SER 122 H 0.01 0.04 0.12 -0.55 8.46 8.08 2bi0A1 SER 122 HA 0.04 0.07 0.47 -0.75 4.49 4.32 2bi0A1 SER 122 HB2 0.01 -0.06 0.10 -0.04 3.95 3.96 2bi0A1 SER 122 HB3 0.02 0.11 -0.02 -0.04 3.93 3.99 2bi0A1 PRO 123 HA 0.05 0.07 0.42 -0.51 4.44 4.47 2bi0A1 PRO 123 HB2 0.01 -0.04 -0.02 -0.04 2.28 2.19 2bi0A1 PRO 123 HB3 0.02 0.03 0.06 -0.04 2.02 2.09 2bi0A1 PRO 123 HG2 -0.01 -0.01 0.05 -0.04 2.03 2.01 2bi0A1 PRO 123 HG3 0.02 0.06 0.08 -0.04 2.03 2.14 2bi0A1 PRO 123 HD2 0.01 0.02 0.18 -0.04 3.68 3.85 2bi0A1 PRO 123 HD3 0.04 0.17 0.21 -0.04 3.65 4.03 2bi0A1 LYS 124 H 0.03 0.29 0.14 -0.55 8.42 8.33 2bi0A1 LYS 124 HA 0.01 0.13 0.67 -0.75 4.32 4.38 2bi0A1 LYS 124 HB2 0.01 -0.03 0.03 -0.04 1.87 1.84 2bi0A1 LYS 124 HB3 0.01 0.03 0.02 -0.04 1.79 1.81 2bi0A1 LYS 124 HG2 0.01 0.19 -0.60 -0.04 1.46 1.02 2bi0A1 LYS 124 HG3 0.01 -0.03 -0.10 -0.04 1.46 1.30 2bi0A1 LYS 124 HD2 0.01 -0.03 0.02 -0.04 1.69 1.65 2bi0A1 LYS 124 HD3 0.01 0.04 0.03 -0.04 1.68 1.72 2bi0A1 LYS 124 HE2 0.01 -0.01 -0.04 -0.04 2.99 2.91 2bi0A1 LYS 124 HE3 0.01 -0.05 -0.01 -0.04 2.99 2.89 2bi0A1 PRO 125 HA 0.01 0.04 0.40 -0.51 4.44 4.38 2bi0A1 PRO 125 HB2 0.01 0.03 0.02 -0.04 2.28 2.30 2bi0A1 PRO 125 HB3 0.01 0.01 0.10 -0.04 2.02 2.09 2bi0A1 PRO 125 HG2 0.01 0.02 0.07 -0.04 2.03 2.09 2bi0A1 PRO 125 HG3 0.01 0.04 0.05 -0.04 2.03 2.08 2bi0A1 PRO 125 HD2 0.01 0.10 0.17 -0.04 3.68 3.92 2bi0A1 PRO 125 HD3 0.01 0.16 0.17 -0.04 3.65 3.95 2bi0A1 GLY 126 H 0.01 0.11 0.19 -0.55 8.43 8.20 2bi0A1 GLY 126 HA2 0.01 -0.03 0.36 -0.51 4.01 3.84 2bi0A1 GLY 126 HA3 0.01 0.08 0.45 -0.51 4.01 4.04 2bi0A1 ARG 127 H 0.02 0.41 -0.40 -0.55 8.46 7.93 2bi0A1 ARG 127 HA 0.01 0.10 0.86 -0.75 4.34 4.57 2bi0A1 ARG 127 HB2 0.02 0.02 0.00 -0.04 1.90 1.90 2bi0A1 ARG 127 HB3 0.01 0.05 -0.00 -0.04 1.80 1.81 2bi0A1 ARG 127 HG2 0.01 0.09 -0.24 -0.04 1.67 1.50 2bi0A1 ARG 127 HG3 0.01 -0.03 -0.07 -0.04 1.67 1.53 2bi0A1 ARG 127 HD2 0.01 -0.01 -0.00 -0.04 3.22 3.18 2bi0A1 ARG 127 HD3 0.01 0.07 -0.32 -0.04 3.22 2.94 2bi0A1 ALA 128 H 0.01 0.10 0.13 -0.55 8.40 8.10 2bi0A1 ALA 128 HA 0.03 0.07 0.47 -0.75 4.34 4.16 2bi0A1 ALA 128 HB3 0.01 0.01 0.10 -0.04 1.41 1.49 2bi0A1 PRO 129 HA 0.13 0.07 0.55 -0.51 4.44 4.68 2bi0A1 PRO 129 HB2 0.23 -0.05 0.10 -0.04 2.28 2.52 2bi0A1 PRO 129 HB3 0.54 0.02 0.10 -0.04 2.02 2.64 2bi0A1 PRO 129 HG2 0.16 0.07 0.09 -0.04 2.03 2.32 2bi0A1 PRO 129 HG3 0.13 0.05 0.12 -0.04 2.03 2.29 2bi0A1 PRO 129 HD2 0.06 0.09 0.24 -0.04 3.68 4.02 2bi0A1 PRO 129 HD3 0.06 0.13 0.28 -0.04 3.65 4.08 2bi0A1 THR 130 H -0.05 0.28 0.28 -0.55 8.28 8.24 2bi0A1 THR 130 HA -0.24 0.08 0.93 -0.75 4.39 4.40 2bi0A1 THR 130 HB -0.17 0.18 0.06 -0.04 4.32 4.35 2bi0A1 THR 130 HG23 -0.06 0.02 -0.31 -0.04 1.22 0.82 2bi0A1 GLY 131 H -0.52 0.80 0.35 -0.55 8.43 8.52 2bi0A1 GLY 131 HA2 -0.71 0.01 0.64 -0.51 4.01 3.44 2bi0A1 GLY 131 HA3 -2.74 -0.06 0.34 -0.51 4.01 1.05 2bi0A1 LEU 132 H -0.26 0.68 0.27 -0.55 8.37 8.50 2bi0A1 LEU 132 HA -0.07 0.40 0.89 -0.75 4.35 4.82 2bi0A1 LEU 132 HB2 -0.01 -0.07 0.05 -0.04 1.64 1.57 2bi0A1 LEU 132 HB3 -0.04 -0.05 -0.08 -0.04 1.64 1.42 2bi0A1 LEU 132 HG -0.10 0.02 -0.14 -0.04 1.64 1.37 2bi0A1 LEU 132 HD13 -0.02 -0.02 -0.09 -0.04 0.93 0.77 2bi0A1 LEU 132 HD23 -0.09 0.04 -0.24 -0.04 0.89 0.55 2bi0A1 ALA 133 H 0.01 0.72 0.30 -0.55 8.40 8.88 2bi0A1 ALA 133 HA 0.10 0.22 1.05 -0.75 4.34 4.96 2bi0A1 ALA 133 HB3 0.04 -0.00 0.02 -0.04 1.41 1.43 2bi0A1 GLY 134 H 0.05 0.56 0.22 -0.55 8.43 8.71 2bi0A1 GLY 134 HA2 -0.01 0.21 0.91 -0.51 4.01 4.60 2bi0A1 GLY 134 HA3 0.05 -0.04 0.35 -0.51 4.01 3.85 2bi0A1 LEU 135 H 0.01 0.69 0.44 -0.55 8.37 8.96 2bi0A1 LEU 135 HA -0.02 0.24 1.11 -0.75 4.35 4.93 2bi0A1 LEU 135 HB2 -0.10 -0.08 0.11 -0.04 1.64 1.53 2bi0A1 LEU 135 HB3 -0.12 0.05 0.03 -0.04 1.64 1.56 2bi0A1 LEU 135 HG -0.06 0.07 -0.31 -0.04 1.64 1.30 2bi0A1 LEU 135 HD13 -0.12 -0.01 -0.11 -0.04 0.93 0.65 2bi0A1 LEU 135 HD23 -0.05 0.02 -0.19 -0.04 0.89 0.63 2bi0A1 ARG 136 H -0.08 0.69 0.33 -0.55 8.46 8.85 2bi0A1 ARG 136 HA -0.63 0.34 0.90 -0.75 4.34 4.20 2bi0A1 ARG 136 HB2 -0.07 -0.06 0.04 -0.04 1.90 1.77 2bi0A1 ARG 136 HB3 -0.14 -0.03 0.15 -0.04 1.80 1.74 2bi0A1 ARG 136 HG2 -0.36 0.09 -0.01 -0.04 1.67 1.35 2bi0A1 ARG 136 HG3 -0.86 0.06 0.04 -0.04 1.67 0.86 2bi0A1 ARG 136 HD2 0.03 -0.04 -0.02 -0.04 3.22 3.15 2bi0A1 ARG 136 HD3 -0.08 -0.01 -0.04 -0.04 3.22 3.05 2bi0A1 THR 138 HA -0.14 -0.02 0.51 -0.75 4.39 3.99 2bi0A1 THR 138 HB -0.09 -0.06 0.16 -0.04 4.32 4.28 2bi0A1 THR 138 HG23 -0.09 -0.01 -0.08 -0.04 1.22 1.00 2bi0A1 THR 139 H -0.01 0.63 0.42 -0.55 8.28 8.77 2bi0A1 THR 139 HA 0.03 0.39 1.12 -0.75 4.39 5.18 2bi0A1 THR 139 HB 0.05 -0.21 0.24 -0.04 4.32 4.36 2bi0A1 THR 139 HG23 0.04 -0.00 -0.10 -0.04 1.22 1.12 2bi0A1 ILE 140 H 0.09 0.69 0.45 -0.55 8.25 8.93 2bi0A1 ILE 140 HA 0.04 0.17 1.00 -0.75 4.18 4.63 2bi0A1 ILE 140 HB 0.04 -0.06 -0.05 -0.04 1.89 1.78 2bi0A1 ILE 140 HG12 0.09 0.09 0.05 -0.04 1.49 1.67 2bi0A1 ILE 140 HG13 0.15 0.02 -0.20 -0.04 1.21 1.14 2bi0A1 ILE 140 HG23 -0.01 -0.01 -0.30 -0.04 0.93 0.56 2bi0A1 ILE 140 HD13 -0.04 -0.01 -0.06 -0.04 0.88 0.73 2bi0A1 ASP 141 H 0.08 0.35 0.20 -0.55 8.40 8.48 2bi0A1 ASP 141 HA 0.17 0.58 1.13 -0.75 4.63 5.75 2bi0A1 ASP 141 HB2 0.09 -0.13 0.27 -0.04 2.71 2.89 2bi0A1 ASP 141 HB3 0.08 0.06 0.04 -0.04 2.70 2.84 2bi0A1 ARG 142 H 0.17 0.13 0.25 -0.55 8.46 8.45 2bi0A1 ARG 142 HA 0.15 0.16 0.40 -0.75 4.34 4.30 2bi0A1 ARG 142 HB2 0.26 0.03 0.14 -0.04 1.90 2.28 2bi0A1 ARG 142 HB3 0.12 -0.05 0.17 -0.04 1.80 2.00 2bi0A1 ARG 142 HG2 0.08 0.01 0.02 -0.04 1.67 1.74 2bi0A1 ARG 142 HG3 0.06 0.02 -0.12 -0.04 1.67 1.58 2bi0A1 ARG 142 HD2 -0.00 0.03 0.16 -0.04 3.22 3.37 2bi0A1 ARG 142 HD3 0.10 0.00 0.04 -0.04 3.22 3.32 2bi0A1 THR 143 H 0.07 0.00 -0.18 -0.55 8.28 7.63 2bi0A1 THR 143 HA 0.03 0.16 0.55 -0.75 4.39 4.38 2bi0A1 THR 143 HB 0.04 -0.07 0.01 -0.04 4.32 4.27 2bi0A1 THR 143 HG23 0.02 0.02 0.06 -0.04 1.22 1.28 2bi0A1 ASP 144 H 0.04 0.45 -0.61 -0.55 8.40 7.73 2bi0A1 ASP 144 HA 0.00 0.10 0.23 -0.75 4.63 4.21 2bi0A1 ASP 144 HB2 -0.01 -0.01 -0.26 -0.04 2.71 2.39 2bi0A1 ASP 144 HB3 -0.00 0.08 0.17 -0.04 2.70 2.91 2bi0A1 ARG 145 H 0.04 -0.11 -0.32 -0.55 8.46 7.52 2bi0A1 ARG 145 HA 0.01 0.22 0.76 -0.75 4.34 4.57 2bi0A1 ARG 145 HB2 0.04 -0.13 -0.07 -0.04 1.90 1.70 2bi0A1 ARG 145 HB3 0.03 0.12 -0.08 -0.04 1.80 1.82 2bi0A1 ARG 145 HG2 0.03 0.05 -0.06 -0.04 1.67 1.64 2bi0A1 ARG 145 HG3 0.02 0.12 -0.22 -0.04 1.67 1.55 2bi0A1 ARG 145 HD2 0.05 -0.18 -0.07 -0.04 3.22 2.98 2bi0A1 ARG 145 HD3 0.05 0.04 -0.09 -0.04 3.22 3.18 2bi0A1 LEU 146 H -0.02 0.14 0.14 -0.55 8.37 8.08 2bi0A1 LEU 146 HA -0.05 0.12 0.50 -0.75 4.35 4.17 2bi0A1 LEU 146 HB2 -0.12 0.02 0.08 -0.04 1.64 1.59 2bi0A1 LEU 146 HB3 -0.14 -0.03 0.10 -0.04 1.64 1.53 2bi0A1 LEU 146 HG -0.42 -0.03 -0.34 -0.04 1.64 0.81 2bi0A1 LEU 146 HD13 -0.15 0.04 -0.03 -0.04 0.93 0.75 2bi0A1 LEU 146 HD23 -0.60 -0.00 -0.06 -0.04 0.89 0.19 2bi0A1 VAL 147 H -0.02 0.72 0.46 -0.55 8.24 8.85 2bi0A1 VAL 147 HA 0.05 0.10 0.96 -0.75 4.13 4.48 2bi0A1 VAL 147 HB 0.03 0.03 0.03 -0.04 2.12 2.17 2bi0A1 VAL 147 HG13 0.08 0.01 -0.08 -0.04 0.97 0.94 2bi0A1 VAL 147 HG23 0.06 0.01 -0.20 -0.04 0.95 0.77 2bi0A1 LEU 148 H -0.01 0.39 0.41 -0.55 8.37 8.62 2bi0A1 LEU 148 HA -0.02 0.32 0.96 -0.75 4.35 4.86 2bi0A1 LEU 148 HB2 0.05 -0.04 0.11 -0.04 1.64 1.71 2bi0A1 LEU 148 HB3 0.02 0.01 0.01 -0.04 1.64 1.63 2bi0A1 LEU 148 HG -0.29 -0.04 -0.36 -0.04 1.64 0.90 2bi0A1 LEU 148 HD13 -0.36 -0.01 -0.13 -0.04 0.93 0.40 2bi0A1 LEU 148 HD23 -1.02 0.05 -0.10 -0.04 0.89 -0.21 2bi0A1 ASP 149 H 0.08 0.29 0.15 -0.55 8.40 8.37 2bi0A1 ASP 149 HA -0.11 0.09 0.74 -0.75 4.63 4.60 2bi0A1 ASP 149 HB2 -0.19 -0.01 -0.07 -0.04 2.71 2.39 2bi0A1 ASP 149 HB3 -0.05 0.05 0.17 -0.04 2.70 2.82 2bi0A1 PHE 150 H -0.42 0.24 0.23 -0.55 8.34 7.85 2bi0A1 PHE 150 HA -0.08 0.35 0.78 -0.75 4.62 4.91 2bi0A1 PHE 150 HB2 -0.16 0.05 -0.07 -0.04 3.15 2.93 2bi0A1 PHE 150 HB3 -0.21 -0.09 -0.23 -0.04 3.06 2.49 2bi0A1 PHE 150 HD2 -0.13 -0.04 -0.16 -0.04 7.28 6.91 2bi0A1 PHE 150 HE2 -0.05 -0.02 -0.15 -0.04 7.38 7.12 2bi0A1 PHE 150 HZ -0.06 0.03 -0.40 -0.04 7.32 6.85 2bi0A1 TYR 151 H 0.31 0.53 0.38 -0.55 8.29 8.96 2bi0A1 TYR 151 HA -0.08 0.38 1.11 -0.75 4.56 5.21 2bi0A1 TYR 151 HB2 0.15 0.00 -0.01 -0.04 3.06 3.16 2bi0A1 TYR 151 HB3 0.11 -0.00 -0.06 -0.04 2.98 2.99 2bi0A1 TYR 151 HD2 0.03 0.08 -0.12 -0.04 7.15 7.10 2bi0A1 TYR 151 HE2 0.00 0.03 -0.07 -0.04 6.85 6.77 2bi0A1 ARG 152 H 0.05 0.56 0.45 -0.55 8.46 8.97 2bi0A1 ARG 152 HA -0.02 0.16 0.47 -0.75 4.34 4.19 2bi0A1 ARG 152 HB2 -0.18 0.07 0.26 -0.04 1.90 2.00 2bi0A1 ARG 152 HB3 0.24 -0.01 0.11 -0.04 1.80 2.10 2bi0A1 ARG 152 HG2 -0.03 -0.00 -0.01 -0.04 1.67 1.59 2bi0A1 ARG 152 HG3 -0.08 -0.01 -0.19 -0.04 1.67 1.34 2bi0A1 ARG 152 HD2 0.14 -0.05 -0.07 -0.04 3.22 3.20 2bi0A1 ARG 152 HD3 0.36 -0.02 -0.10 -0.04 3.22 3.42 2bi0A1 CYS 153 H -0.59 0.35 0.24 -0.55 8.50 7.95 2bi0A1 CYS 153 HA -0.25 0.32 1.05 -0.75 4.58 4.94 2bi0A1 CYS 153 HB2 -0.97 0.06 -0.05 -0.04 2.97 1.97 2bi0A1 CYS 153 HB3 -1.15 -0.13 0.20 -0.04 2.97 1.85 2bi0A1 ALA 154 H -0.13 0.71 0.26 -0.55 8.40 8.69 2bi0A1 ALA 154 HA -0.15 0.20 0.95 -0.75 4.34 4.59 2bi0A1 ALA 154 HB3 -0.09 0.01 0.05 -0.04 1.41 1.34 2bi0A1 LEU 156 HA -0.03 -0.06 0.25 -0.75 4.35 3.76 2bi0A1 LEU 156 HB2 0.13 -0.06 0.00 -0.04 1.64 1.67 2bi0A1 LEU 156 HB3 0.06 0.07 -0.13 -0.04 1.64 1.60 2bi0A1 LEU 156 HG -0.01 -0.05 -0.47 -0.04 1.64 1.07 2bi0A1 LEU 156 HD13 0.00 0.03 -0.22 -0.04 0.93 0.71 2bi0A1 LEU 156 HD23 -0.05 -0.01 -0.17 -0.04 0.89 0.62 2bi0A1 PRO 157 HA -0.04 0.21 0.74 -0.51 4.44 4.84 2bi0A1 PRO 157 HB2 0.12 0.13 0.01 -0.04 2.28 2.49 2bi0A1 PRO 157 HB3 0.04 0.02 0.15 -0.04 2.02 2.19 2bi0A1 PRO 157 HG2 0.20 -0.08 0.07 -0.04 2.03 2.18 2bi0A1 PRO 157 HG3 0.07 0.08 0.10 -0.04 2.03 2.24 2bi0A1 PRO 157 HD2 0.01 0.02 0.12 -0.04 3.68 3.79 2bi0A1 PRO 157 HD3 -0.00 0.18 0.17 -0.04 3.65 3.96 2bi0A1 ALA 158 H -0.13 0.68 0.22 -0.55 8.40 8.62 2bi0A1 ALA 158 HA -0.21 -0.21 0.73 -0.75 4.34 3.90 2bi0A1 ALA 158 HB3 -0.59 0.01 -0.04 -0.04 1.41 0.75 2bi0A1 SER 159 H -0.27 -0.05 0.11 -0.55 8.46 7.70 2bi0A1 SER 159 HA -1.68 0.18 0.41 -0.75 4.49 2.64 2bi0A1 SER 159 HB2 -0.38 0.06 0.11 -0.04 3.95 3.70 2bi0A1 SER 159 HB3 -0.35 -0.02 0.10 -0.04 3.93 3.62 2bi0A1 PRO 160 HA -0.05 0.17 0.26 -0.51 4.44 4.31 2bi0A1 PRO 160 HB2 -0.03 -0.00 0.02 -0.04 2.28 2.22 2bi0A1 PRO 160 HB3 -0.02 0.05 0.11 -0.04 2.02 2.11 2bi0A1 PRO 160 HG2 -0.03 0.03 0.09 -0.04 2.03 2.08 2bi0A1 PRO 160 HG3 -0.08 0.10 0.11 -0.04 2.03 2.12 2bi0A1 PRO 160 HD2 -0.17 0.05 0.16 -0.04 3.68 3.68 2bi0A1 PRO 160 HD3 -0.68 0.13 0.24 -0.04 3.65 3.30 2bi0A1 ASP 161 H -0.02 0.01 -0.29 -0.55 8.40 7.56 2bi0A1 ASP 161 HA 0.03 0.24 0.77 -0.75 4.63 4.91 2bi0A1 ASP 161 HB2 0.01 -0.03 -0.03 -0.04 2.71 2.63 2bi0A1 ASP 161 HB3 0.03 -0.03 -0.01 -0.04 2.70 2.64 2bi0A1 TRP 162 H 0.19 0.36 -0.31 -0.55 7.97 7.67 2bi0A1 TRP 162 HA -0.02 -0.07 0.25 -0.75 4.62 4.04 2bi0A1 TRP 162 HB2 -0.03 -0.15 0.05 -0.04 3.23 3.05 2bi0A1 TRP 162 HB3 -0.02 0.12 -0.04 -0.04 3.23 3.25 2bi0A1 TRP 162 HD1 0.03 -0.03 -0.01 -0.04 7.22 7.17 2bi0A1 TRP 162 HE1 0.09 0.01 -0.07 -0.04 10.20 10.19 2bi0A1 TRP 162 HE3 0.01 0.05 -0.13 -0.04 7.59 7.48 2bi0A1 TRP 162 HZ2 0.19 0.01 -0.05 -0.04 7.44 7.55 2bi0A1 TRP 162 HZ3 -0.01 0.03 0.02 -0.04 7.13 7.12 2bi0A1 TRP 162 HH2 0.01 0.15 0.08 -0.04 7.19 7.40 2bi0A1 LYS 163 H -0.28 0.06 0.12 -0.55 8.42 7.77 2bi0A1 LYS 163 HA -0.31 0.18 0.73 -0.75 4.32 4.16 2bi0A1 LYS 163 HB2 -0.25 -0.08 0.19 -0.04 1.87 1.69 2bi0A1 LYS 163 HB3 -0.25 0.05 0.05 -0.04 1.79 1.60 2bi0A1 LYS 163 HG2 -0.11 0.01 0.04 -0.04 1.46 1.35 2bi0A1 LYS 163 HG3 -0.09 0.08 0.02 -0.04 1.46 1.43 2bi0A1 LYS 163 HD2 -0.05 -0.03 0.03 -0.04 1.69 1.60 2bi0A1 LYS 163 HD3 -0.08 -0.02 0.03 -0.04 1.68 1.57 2bi0A1 LYS 163 HE2 -0.05 0.01 0.01 -0.04 2.99 2.93 2bi0A1 LYS 163 HE3 -0.03 0.01 0.01 -0.04 2.99 2.93 2bi0A1 PRO 164 HA -2.47 0.01 0.27 -0.51 4.44 1.74 2bi0A1 PRO 164 HB2 -0.28 -0.02 0.01 -0.04 2.28 1.95 2bi0A1 PRO 164 HB3 -0.28 0.06 0.11 -0.04 2.02 1.87 2bi0A1 PRO 164 HG2 -0.14 -0.00 0.09 -0.04 2.03 1.93 2bi0A1 PRO 164 HG3 -0.15 0.06 0.06 -0.04 2.03 1.97 2bi0A1 PRO 164 HD2 -0.28 0.02 0.21 -0.04 3.68 3.59 2bi0A1 PRO 164 HD3 -0.29 0.51 0.36 -0.04 3.65 4.19 2bi0A1 GLY 165 H -0.35 0.34 0.26 -0.55 8.43 8.14 2bi0A1 GLY 165 HA2 -0.11 0.07 0.39 -0.51 4.01 3.85 2bi0A1 GLY 165 HA3 -0.11 0.02 0.41 -0.51 4.01 3.81 2bi0A1 ALA 166 H 0.02 0.12 0.14 -0.55 8.40 8.14 2bi0A1 ALA 166 HA 0.10 0.31 0.80 -0.75 4.34 4.80 2bi0A1 ALA 166 HB3 0.04 0.00 0.07 -0.04 1.41 1.48 2bi0A1 VAL 167 H 0.13 0.07 -0.21 -0.55 8.24 7.68 2bi0A1 VAL 167 HA 0.10 0.32 0.66 -0.75 4.13 4.45 2bi0A1 VAL 167 HB 0.05 -0.07 -0.02 -0.04 2.12 2.03 2bi0A1 VAL 167 HG13 0.04 0.00 0.09 -0.04 0.97 1.07 2bi0A1 VAL 167 HG23 0.04 0.01 -0.16 -0.04 0.95 0.80 2bi0A1 PRO 168 HA 0.10 0.07 -0.14 -0.51 4.44 3.95 2bi0A1 PRO 168 HB2 0.24 -0.04 -0.11 -0.04 2.28 2.32 2bi0A1 PRO 168 HB3 0.05 0.03 0.09 -0.04 2.02 2.16 2bi0A1 PRO 168 HG2 0.25 0.04 -0.02 -0.04 2.03 2.26 2bi0A1 PRO 168 HG3 0.11 0.10 0.05 -0.04 2.03 2.25 2bi0A1 PRO 168 HD2 0.38 0.08 -0.03 -0.04 3.68 4.07 2bi0A1 PRO 168 HD3 0.27 0.08 -0.18 -0.04 3.65 3.78 2bi0A1 GLY 169 H 0.09 0.08 -0.05 -0.55 8.43 8.00 2bi0A1 GLY 169 HA2 0.10 0.13 0.89 -0.51 4.01 4.62 2bi0A1 GLY 169 HA3 0.08 0.11 0.49 -0.51 4.01 4.17 2bi0A1 ASP 170 H 0.09 0.58 0.22 -0.55 8.40 8.74 2bi0A1 ASP 170 HA 0.05 0.01 0.49 -0.75 4.63 4.42 2bi0A1 ASP 170 HB2 0.07 -0.04 0.01 -0.04 2.71 2.70 2bi0A1 ASP 170 HB3 0.05 0.09 -0.01 -0.04 2.70 2.78 2bi0A1 ASP 171 H 0.03 0.13 0.18 -0.55 8.40 8.19 2bi0A1 ASP 171 HA 0.03 0.10 0.67 -0.75 4.63 4.67 2bi0A1 ASP 171 HB2 0.02 0.07 0.15 -0.04 2.71 2.92 2bi0A1 ASP 171 HB3 0.02 0.00 0.19 -0.04 2.70 2.87 2bi0A1 LEU 172 H 0.04 0.22 0.10 -0.55 8.37 8.19 2bi0A1 LEU 172 HA 0.05 0.19 0.59 -0.75 4.35 4.42 2bi0A1 LEU 172 HB2 0.06 0.07 -0.05 -0.04 1.64 1.67 2bi0A1 LEU 172 HB3 0.09 0.01 -0.06 -0.04 1.64 1.64 2bi0A1 LEU 172 HG 0.05 -0.04 -0.18 -0.04 1.64 1.43 2bi0A1 LEU 172 HD13 0.06 0.01 -0.51 -0.04 0.93 0.45 2bi0A1 LEU 172 HD23 0.05 0.05 -0.28 -0.04 0.89 0.67 2bi0A1 SER 173 H 0.04 0.06 -0.11 -0.55 8.46 7.91 2bi0A1 SER 173 HA 0.06 0.10 0.21 -0.75 4.49 4.11 2bi0A1 SER 173 HB2 0.00 0.05 -0.02 -0.04 3.95 3.95 2bi0A1 SER 173 HB3 0.02 0.01 0.07 -0.04 3.93 3.98 2bi0A1 ARG 174 H 0.00 0.07 -0.46 -0.55 8.46 7.52 2bi0A1 ARG 174 HA -0.05 0.27 0.65 -0.75 4.34 4.46 2bi0A1 ARG 174 HB2 -0.02 -0.01 -0.05 -0.04 1.90 1.78 2bi0A1 ARG 174 HB3 -0.04 0.00 0.05 -0.04 1.80 1.77 2bi0A1 ARG 174 HG2 -0.03 0.10 -0.27 -0.04 1.67 1.43 2bi0A1 ARG 174 HG3 -0.01 -0.08 -0.18 -0.04 1.67 1.36 2bi0A1 ARG 174 HD2 -0.02 -0.00 -0.08 -0.04 3.22 3.08 2bi0A1 ARG 174 HD3 -0.02 -0.01 -0.07 -0.04 3.22 3.09 2bi0A1 ILE 175 H 0.03 0.39 -0.42 -0.55 8.25 7.70 2bi0A1 ILE 175 HA -0.16 -0.03 0.33 -0.75 4.18 3.57 2bi0A1 ILE 175 HB 0.16 0.13 0.04 -0.04 1.89 2.17 2bi0A1 ILE 175 HG12 -0.02 0.00 -0.06 -0.04 1.49 1.38 2bi0A1 ILE 175 HG13 0.02 -0.04 -0.06 -0.04 1.21 1.09 2bi0A1 ILE 175 HG23 0.03 -0.02 -0.20 -0.04 0.93 0.70 2bi0A1 ILE 175 HD13 0.07 -0.02 -0.07 -0.04 0.88 0.83 2bi0A1 GLY 176 H -0.64 0.09 0.15 -0.55 8.43 7.48 2bi0A1 GLY 176 HA2 -0.95 0.02 0.27 -0.51 4.01 2.85 2bi0A1 GLY 176 HA3 -0.45 0.04 0.33 -0.51 4.01 3.42 2bi0A1 ALA 177 H -0.18 0.26 0.09 -0.55 8.40 8.03 2bi0A1 ALA 177 HA -0.05 0.10 0.68 -0.75 4.34 4.32 2bi0A1 ALA 177 HB3 -0.06 0.04 -0.08 -0.04 1.41 1.26 2bi0A1 ASP 178 H -0.02 0.16 0.09 -0.55 8.40 8.09 2bi0A1 ASP 178 HA -0.00 0.02 0.26 -0.75 4.63 4.15 2bi0A1 ASP 178 HB2 -0.01 0.19 0.24 -0.04 2.71 3.08 2bi0A1 ASP 178 HB3 -0.00 -0.02 0.17 -0.04 2.70 2.80 2bi0A1 ALA 179 H 0.00 -0.06 -0.57 -0.55 8.40 7.23 2bi0A1 ALA 179 HA 0.06 0.10 0.37 -0.75 4.34 4.13 2bi0A1 ALA 179 HB3 0.10 0.00 -0.10 -0.04 1.41 1.38 2bi0A1 PRO 180 HA 0.04 -0.05 0.28 -0.51 4.44 4.20 2bi0A1 PRO 180 HB2 0.08 0.12 -0.03 -0.04 2.28 2.41 2bi0A1 PRO 180 HB3 0.04 -0.02 0.10 -0.04 2.02 2.10 2bi0A1 PRO 180 HG2 0.08 0.03 0.07 -0.04 2.03 2.17 2bi0A1 PRO 180 HG3 0.05 -0.00 0.07 -0.04 2.03 2.11 2bi0A1 PRO 180 HD2 0.09 0.03 0.18 -0.04 3.68 3.94 2bi0A1 PRO 180 HD3 0.05 0.17 0.21 -0.04 3.65 4.04 2bi0A1 ALA 181 H 0.02 0.01 0.12 -0.55 8.40 8.01 2bi0A1 ALA 181 HA -0.04 0.09 0.56 -0.75 4.34 4.20 2bi0A1 ALA 181 HB3 -0.01 -0.02 0.07 -0.04 1.41 1.41 2bi0A1 PRO 182 HA 0.10 0.04 0.46 -0.51 4.44 4.53 2bi0A1 PRO 182 HB2 -0.09 0.12 0.03 -0.04 2.28 2.30 2bi0A1 PRO 182 HB3 -0.15 0.03 0.23 -0.04 2.02 2.09 2bi0A1 PRO 182 HG2 -0.22 0.04 0.13 -0.04 2.03 1.93 2bi0A1 PRO 182 HG3 -0.73 0.10 0.00 -0.04 2.03 1.36 2bi0A1 PRO 182 HD2 -0.12 0.01 0.15 -0.04 3.68 3.68 2bi0A1 PRO 182 HD3 -0.22 0.14 0.17 -0.04 3.65 3.69 2bi0A1 ALA 183 H 0.11 0.12 0.18 -0.55 8.40 8.26 2bi0A1 ALA 183 HA 0.03 0.07 0.39 -0.75 4.34 4.08 2bi0A1 ALA 183 HB3 0.04 -0.00 0.10 -0.04 1.41 1.51 2bi0A1 ALA 184 H 0.01 0.25 -0.29 -0.55 8.40 7.82 2bi0A1 ALA 184 HA 0.00 0.11 0.75 -0.75 4.34 4.45 2bi0A1 ALA 184 HB3 0.02 0.02 -0.12 -0.04 1.41 1.28 2bi0A1 ASP 185 H -0.01 0.11 0.11 -0.55 8.40 8.07 2bi0A1 ASP 185 HA -0.06 0.18 0.56 -0.75 4.63 4.55 2bi0A1 ASP 185 HB2 -0.03 0.07 0.11 -0.04 2.71 2.82 2bi0A1 ASP 185 HB3 -0.02 -0.02 0.20 -0.04 2.70 2.82 2bi0A1 PRO 186 HA 0.01 0.13 0.30 -0.51 4.44 4.37 2bi0A1 PRO 186 HB2 -0.08 -0.08 -0.17 -0.04 2.28 1.91 2bi0A1 PRO 186 HB3 -0.11 0.20 -0.42 -0.04 2.02 1.64 2bi0A1 PRO 186 HG2 -0.00 -0.09 -0.06 -0.04 2.03 1.85 2bi0A1 PRO 186 HG3 -0.11 0.29 0.01 -0.04 2.03 2.17 2bi0A1 PRO 186 HD2 -0.10 -0.03 0.21 -0.04 3.68 3.73 2bi0A1 PRO 186 HD3 -0.09 0.37 0.31 -0.04 3.65 4.20 2bi0A1 THR 187 H -0.26 0.07 -0.44 -0.55 8.28 7.11 2bi0A1 THR 187 HA -1.45 0.25 0.87 -0.75 4.39 3.31 2bi0A1 THR 187 HB -1.11 -0.01 0.09 -0.04 4.32 3.24 2bi0A1 THR 187 HG23 -1.36 0.00 -0.21 -0.04 1.22 -0.39 2bi0A1 ALA 188 H -0.09 0.41 -0.20 -0.55 8.40 7.98 2bi0A1 ALA 188 HA -0.02 0.03 0.35 -0.75 4.34 3.95 2bi0A1 ALA 188 HB3 0.04 0.00 0.11 -0.04 1.41 1.51 2bi0A1 HIS 189 H 0.30 0.08 -0.27 -0.55 8.41 7.97 2bi0A1 HIS 189 HA 0.10 0.12 0.59 -0.75 4.63 4.70 2bi0A1 HIS 189 HB2 0.14 0.04 0.10 -0.04 3.26 3.50 2bi0A1 HIS 189 HB3 0.11 -0.06 0.02 -0.04 3.20 3.23 2bi0A1 HIS 189 HD2 0.21 0.24 0.01 -0.04 6.97 7.39 2bi0A1 HIS 189 HE1 0.29 0.07 0.01 -0.04 7.75 8.08 2bi0A1 TRP 190 H 0.04 0.33 -0.46 -0.55 7.97 7.33 2bi0A1 TRP 190 HA -0.14 0.31 0.72 -0.75 4.62 4.75 2bi0A1 TRP 190 HB2 0.10 0.08 0.08 -0.04 3.23 3.45 2bi0A1 TRP 190 HB3 0.11 -0.09 -0.12 -0.04 3.23 3.10 2bi0A1 TRP 190 HD1 -1.12 -0.03 -0.30 -0.04 7.22 5.73 2bi0A1 TRP 190 HE1 -0.16 0.06 0.00 -0.04 10.20 10.07 2bi0A1 TRP 190 HE3 -0.02 -0.04 -0.09 -0.04 7.59 7.39 2bi0A1 TRP 190 HZ2 -0.13 0.04 -0.03 -0.04 7.44 7.27 2bi0A1 TRP 190 HZ3 -0.42 -0.08 -0.21 -0.04 7.13 6.38 2bi0A1 TRP 190 HH2 -0.82 -0.01 -0.11 -0.04 7.19 6.21 2bi0A1 ASP 191 H -0.01 0.82 0.33 -0.55 8.40 8.99 2bi0A1 ASP 191 HA -0.10 0.11 0.77 -0.75 4.63 4.66 2bi0A1 ASP 191 HB2 -0.03 0.17 0.17 -0.04 2.71 2.98 2bi0A1 ASP 191 HB3 -0.08 0.09 0.36 -0.04 2.70 3.04 2bi0A1 GLY 192 H -0.44 0.36 0.13 -0.55 8.43 7.93 2bi0A1 GLY 192 HA2 -1.95 0.04 0.40 -0.51 4.01 2.00 2bi0A1 GLY 192 HA3 -0.98 0.08 0.29 -0.51 4.01 2.89 2bi0A1 ALA 193 H -0.19 0.12 -0.22 -0.55 8.40 7.55 2bi0A1 ALA 193 HA -0.09 0.10 0.39 -0.75 4.34 3.99 2bi0A1 ALA 193 HB3 -0.06 0.03 0.06 -0.04 1.41 1.40 2bi0A1 VAL 194 H -0.10 0.20 -0.16 -0.55 8.24 7.63 2bi0A1 VAL 194 HA -0.05 0.09 0.50 -0.75 4.13 3.92 2bi0A1 VAL 194 HB -0.05 0.00 0.06 -0.04 2.12 2.10 2bi0A1 VAL 194 HG13 -0.05 0.07 -0.16 -0.04 0.97 0.79 2bi0A1 VAL 194 HG23 -0.04 -0.00 -0.00 -0.04 0.95 0.86 2bi0A1 PHE 195 H -0.02 0.26 -0.27 -0.55 8.34 7.75 2bi0A1 PHE 195 HA -0.04 0.03 0.44 -0.75 4.62 4.30 2bi0A1 PHE 195 HB2 -0.07 0.01 0.09 -0.04 3.15 3.14 2bi0A1 PHE 195 HB3 -0.14 0.10 0.16 -0.04 3.06 3.14 2bi0A1 PHE 195 HD2 0.06 0.01 -0.17 -0.04 7.28 7.14 2bi0A1 PHE 195 HE2 0.17 -0.02 -0.05 -0.04 7.38 7.45 2bi0A1 PHE 195 HZ 0.11 0.09 -0.04 -0.04 7.32 7.44 2bi0A1 ARG 196 H 0.00 0.50 -0.08 -0.55 8.46 8.34 2bi0A1 ARG 196 HA -0.60 0.06 0.31 -0.75 4.34 3.36 2bi0A1 ARG 196 HB2 -0.10 0.06 0.15 -0.04 1.90 1.97 2bi0A1 ARG 196 HB3 -0.14 -0.02 -0.07 -0.04 1.80 1.54 2bi0A1 ARG 196 HG2 -0.52 -0.07 0.06 -0.04 1.67 1.10 2bi0A1 ARG 196 HG3 -0.12 -0.02 0.09 -0.04 1.67 1.58 2bi0A1 ARG 196 HD2 -0.04 -0.02 0.01 -0.04 3.22 3.14 2bi0A1 ARG 196 HD3 0.02 -0.04 0.02 -0.04 3.22 3.18 2bi0A1 LYS 197 H -0.05 0.35 -0.25 -0.55 8.42 7.91 2bi0A1 LYS 197 HA 0.00 0.03 0.59 -0.75 4.32 4.19 2bi0A1 LYS 197 HB2 -0.02 -0.03 0.11 -0.04 1.87 1.89 2bi0A1 LYS 197 HB3 -0.03 0.05 0.13 -0.04 1.79 1.90 2bi0A1 LYS 197 HG2 -0.02 -0.06 -0.02 -0.04 1.46 1.31 2bi0A1 LYS 197 HG3 -0.02 0.03 -0.17 -0.04 1.46 1.26 2bi0A1 LYS 197 HD2 0.00 0.04 0.09 -0.04 1.69 1.78 2bi0A1 LYS 197 HD3 -0.00 -0.03 0.03 -0.04 1.68 1.63 2bi0A1 LYS 197 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2bi0A1 LYS 197 HE3 -0.00 -0.01 0.01 -0.04 2.99 2.95 2bi0A1 ARG 198 H -0.09 0.44 -0.16 -0.55 8.46 8.10 2bi0A1 ARG 198 HA -0.05 0.13 0.64 -0.75 4.34 4.31 2bi0A1 ARG 198 HB2 -0.13 0.03 0.04 -0.04 1.90 1.81 2bi0A1 ARG 198 HB3 -0.09 -0.09 0.06 -0.04 1.80 1.64 2bi0A1 ARG 198 HG2 -0.05 -0.02 -0.07 -0.04 1.67 1.49 2bi0A1 ARG 198 HG3 -0.05 0.05 -0.03 -0.04 1.67 1.60 2bi0A1 ARG 198 HD2 -0.06 -0.01 -0.06 -0.04 3.22 3.06 2bi0A1 ARG 198 HD3 -0.05 -0.06 -0.04 -0.04 3.22 3.03 2bi0A1 VAL 199 H -0.15 0.54 -0.05 -0.55 8.24 8.03 2bi0A1 VAL 199 HA -0.13 0.11 0.82 -0.75 4.13 4.18 2bi0A1 VAL 199 HB -0.52 0.08 0.06 -0.04 2.12 1.70 2bi0A1 VAL 199 HG13 -0.09 0.04 -0.12 -0.04 0.97 0.76 2bi0A1 VAL 199 HG23 -0.79 -0.05 -0.05 -0.04 0.95 0.01 2bi0A1 PRO 200 HA 0.00 -0.03 0.41 -0.51 4.44 4.31 2bi0A1 PRO 200 HB2 -0.04 0.09 0.05 -0.04 2.28 2.34 2bi0A1 PRO 200 HB3 -0.03 -0.03 0.09 -0.04 2.02 2.02 2bi0A1 PRO 200 HG2 -0.02 -0.01 0.08 -0.04 2.03 2.04 2bi0A1 PRO 200 HG3 -0.02 0.02 0.06 -0.04 2.03 2.05 2bi0A1 PRO 200 HD2 -0.04 0.07 0.18 -0.04 3.68 3.85 2bi0A1 PRO 200 HD3 -0.05 0.20 0.26 -0.04 3.65 4.02 2bi0A1 GLY 201 H -0.10 0.02 0.13 -0.55 8.43 7.94 2bi0A1 GLY 201 HA2 -0.90 0.13 0.22 -0.51 4.01 2.94 2bi0A1 GLY 201 HA3 -0.34 -0.09 0.29 -0.51 4.01 3.36 2bi0A1 PRO 202 HA -0.14 -0.06 0.37 -0.51 4.44 4.09 2bi0A1 PRO 202 HB2 -0.05 0.13 -0.05 -0.04 2.28 2.27 2bi0A1 PRO 202 HB3 -0.05 -0.02 0.08 -0.04 2.02 1.99 2bi0A1 PRO 202 HG2 -0.04 0.02 0.07 -0.04 2.03 2.04 2bi0A1 PRO 202 HG3 -0.04 0.01 0.07 -0.04 2.03 2.04 2bi0A1 PRO 202 HD2 -0.05 0.17 0.30 -0.04 3.68 4.06 2bi0A1 PRO 202 HD3 -0.05 0.04 0.19 -0.04 3.65 3.79 2bi0A1 HIS 203 H -0.00 0.07 0.09 -0.55 8.41 8.02 2bi0A1 HIS 203 HA 0.15 0.18 0.71 -0.75 4.63 4.92 2bi0A1 HIS 203 HB2 0.13 0.05 0.09 -0.04 3.26 3.49 2bi0A1 HIS 203 HB3 0.20 -0.15 0.16 -0.04 3.20 3.37 2bi0A1 HIS 203 HD2 0.09 -0.04 0.03 -0.04 6.97 7.00 2bi0A1 HIS 203 HE1 0.09 0.10 -0.29 -0.04 7.75 7.61 2bi0A1 PHE 204 H 0.37 0.05 0.03 -0.55 8.34 8.24 2bi0A1 PHE 204 HA 0.06 0.04 0.02 -0.75 4.62 3.98 2bi0A1 PHE 204 HB2 0.05 0.13 0.00 -0.04 3.15 3.29 2bi0A1 PHE 204 HB3 0.08 0.05 0.04 -0.04 3.06 3.20 2bi0A1 PHE 204 HD2 0.03 0.04 -0.27 -0.04 7.28 7.04 2bi0A1 PHE 204 HE2 0.01 0.00 -0.30 -0.04 7.38 7.06 2bi0A1 PHE 204 HZ 0.02 -0.05 -0.65 -0.04 7.32 6.60 2bi0A1 ASP 205 H -0.91 0.19 -0.05 -0.55 8.40 7.08 2bi0A1 ASP 205 HA -0.34 0.09 0.66 -0.75 4.63 4.29 2bi0A1 ASP 205 HB2 -0.12 0.19 -0.11 -0.04 2.71 2.63 2bi0A1 ASP 205 HB3 -0.19 0.04 0.06 -0.04 2.70 2.57 2bi0A1 ALA 206 H -0.37 0.23 0.03 -0.55 8.40 7.75 2bi0A1 ALA 206 HA -0.22 0.02 0.36 -0.75 4.34 3.75 2bi0A1 ALA 206 HB3 0.08 0.04 0.10 -0.04 1.41 1.58 2bi0A1 GLY 207 H -0.15 -0.01 -0.54 -0.55 8.43 7.18 2bi0A1 GLY 207 HA2 -0.05 0.10 0.31 -0.51 4.01 3.86 2bi0A1 GLY 207 HA3 -0.07 0.01 0.23 -0.51 4.01 3.66 2bi0A1 ILE 208 H -0.16 0.43 -0.29 -0.55 8.25 7.68 2bi0A1 ILE 208 HA -0.07 0.20 0.73 -0.75 4.18 4.29 2bi0A1 ILE 208 HB -0.07 -0.03 0.09 -0.04 1.89 1.84 2bi0A1 ILE 208 HG12 -0.18 0.20 0.04 -0.04 1.49 1.50 2bi0A1 ILE 208 HG13 -0.08 -0.02 -0.27 -0.04 1.21 0.79 2bi0A1 ILE 208 HG23 -0.09 -0.00 -0.03 -0.04 0.93 0.76 2bi0A1 ILE 208 HD13 -0.06 -0.01 -0.07 -0.04 0.88 0.69 2bi0A1 ALA 209 H -0.06 0.26 -0.26 -0.55 8.40 7.79 2bi0A1 ALA 209 HA -0.03 0.01 0.28 -0.75 4.34 3.84 2bi0A1 ALA 209 HB3 -0.01 -0.00 0.01 -0.04 1.41 1.36 2bi0A1 GLY 210 H -0.02 0.76 0.30 -0.55 8.43 8.92 2bi0A1 GLY 210 HA2 -0.01 -0.05 0.37 -0.51 4.01 3.81 2bi0A1 GLY 210 HA3 -0.02 0.11 0.72 -0.51 4.01 4.31 2bi0A1 ALA 211 H -0.05 0.45 -0.06 -0.55 8.40 8.20 2bi0A1 ALA 211 HA -0.06 0.02 0.39 -0.75 4.34 3.93 2bi0A1 ALA 211 HB3 -0.06 -0.00 0.09 -0.04 1.41 1.40 2bi0A1 VAL 212 H -0.11 0.21 0.20 -0.55 8.24 7.99 2bi0A1 VAL 212 HA -0.34 0.22 0.90 -0.75 4.13 4.15 2bi0A1 VAL 212 HB -0.18 -0.04 0.17 -0.04 2.12 2.03 2bi0A1 VAL 212 HG13 -0.61 -0.02 -0.09 -0.04 0.97 0.21 2bi0A1 VAL 212 HG23 -0.18 0.03 -0.08 -0.04 0.95 0.68 2bi0A1 LEU 213 H -0.26 0.80 0.31 -0.55 8.37 8.67 2bi0A1 LEU 213 HA -0.20 0.18 0.96 -0.75 4.35 4.53 2bi0A1 LEU 213 HB2 -0.08 -0.04 0.03 -0.04 1.64 1.51 2bi0A1 LEU 213 HB3 -0.05 0.03 0.06 -0.04 1.64 1.64 2bi0A1 LEU 213 HG -0.10 -0.07 -0.30 -0.04 1.64 1.13 2bi0A1 LEU 213 HD13 -0.04 0.01 -0.09 -0.04 0.93 0.77 2bi0A1 LEU 213 HD23 -0.05 0.04 -0.01 -0.04 0.89 0.83 2bi0A1 HIS 214 H -0.01 0.26 0.20 -0.55 8.41 8.32 2bi0A1 HIS 214 HA 0.07 0.20 1.10 -0.75 4.63 5.25 2bi0A1 HIS 214 HB2 -0.02 -0.02 0.13 -0.04 3.26 3.31 2bi0A1 HIS 214 HB3 -0.02 0.07 0.05 -0.04 3.20 3.25 2bi0A1 HIS 214 HD2 0.06 0.00 -0.00 -0.04 6.97 6.99 2bi0A1 HIS 214 HE1 -0.04 0.01 -0.07 -0.04 7.75 7.61 2bi0A1 SER 215 H 0.20 0.55 0.34 -0.55 8.46 9.01 2bi0A1 SER 215 HA 0.08 0.09 0.36 -0.75 4.49 4.26 2bi0A1 SER 215 HB2 0.11 0.01 0.13 -0.04 3.95 4.16 2bi0A1 SER 215 HB3 0.14 -0.05 0.03 -0.04 3.93 4.01 2bi0A1 THR 216 H 0.07 0.10 0.18 -0.55 8.28 8.08 2bi0A1 THR 216 HA 0.03 0.14 0.76 -0.75 4.39 4.57 2bi0A1 THR 216 HB 0.03 -0.04 0.18 -0.04 4.32 4.45 2bi0A1 THR 216 HG23 0.02 0.01 0.03 -0.04 1.22 1.24 2bi0A1 ALA 217 H 0.06 0.07 0.14 -0.55 8.40 8.13 2bi0A1 ALA 217 HA 0.16 0.33 0.73 -0.75 4.34 4.79 2bi0A1 ALA 217 HB3 0.11 -0.02 -0.04 -0.04 1.41 1.42 2bi0A1 ASP 218 H 0.07 0.60 0.40 -0.55 8.40 8.92 2bi0A1 ASP 218 HA 0.03 0.15 0.84 -0.75 4.63 4.90 2bi0A1 ASP 218 HB2 0.03 -0.03 0.03 -0.04 2.71 2.70 2bi0A1 ASP 218 HB3 0.02 0.11 -0.03 -0.04 2.70 2.76 2bi0A1 LEU 219 H 0.02 0.17 0.15 -0.55 8.37 8.17 2bi0A1 LEU 219 HA 0.01 0.19 0.88 -0.75 4.35 4.68 2bi0A1 LEU 219 HB2 0.02 -0.02 0.04 -0.04 1.64 1.64 2bi0A1 LEU 219 HB3 0.01 -0.01 0.08 -0.04 1.64 1.68 2bi0A1 LEU 219 HG 0.00 0.02 -0.50 -0.04 1.64 1.12 2bi0A1 LEU 219 HD13 0.01 0.03 -0.07 -0.04 0.93 0.85 2bi0A1 LEU 219 HD23 0.01 -0.02 -0.07 -0.04 0.89 0.77 2bi0A1 VAL 220 H -0.03 0.84 0.25 -0.55 8.24 8.75 2bi0A1 VAL 220 HA -0.05 0.17 0.76 -0.75 4.13 4.25 2bi0A1 VAL 220 HB -0.10 -0.06 0.26 -0.04 2.12 2.18 2bi0A1 VAL 220 HG13 -0.47 -0.04 -0.21 -0.04 0.97 0.21 2bi0A1 VAL 220 HG23 -0.15 0.02 -0.10 -0.04 0.95 0.68 2bi0A1 SER 221 H 0.10 0.51 0.17 -0.55 8.46 8.69 2bi0A1 SER 221 HA 0.02 0.01 0.60 -0.75 4.49 4.36 2bi0A1 SER 221 HB2 0.02 -0.08 0.13 -0.04 3.95 3.98 2bi0A1 SER 221 HB3 0.01 0.07 -0.12 -0.04 3.93 3.85 2bi0A1 GLY 222 H 0.04 0.14 0.15 -0.55 8.43 8.22 2bi0A1 GLY 222 HA2 0.03 0.00 0.35 -0.51 4.01 3.89 2bi0A1 GLY 222 HA3 0.03 0.18 0.46 -0.51 4.01 4.17 2bi0A1 ALA 223 H 0.07 0.07 -0.17 -0.55 8.40 7.83 2bi0A1 ALA 223 HA 0.32 0.14 0.36 -0.75 4.34 4.40 2bi0A1 ALA 223 HB3 -0.02 0.01 -0.03 -0.04 1.41 1.33 2bi0A1 PRO 224 HA -0.06 0.16 0.50 -0.51 4.44 4.53 2bi0A1 PRO 224 HB2 0.06 -0.01 -0.03 -0.04 2.28 2.26 2bi0A1 PRO 224 HB3 0.07 0.14 0.07 -0.04 2.02 2.26 2bi0A1 PRO 224 HG2 0.05 0.05 0.06 -0.04 2.03 2.15 2bi0A1 PRO 224 HG3 0.02 0.22 0.08 -0.04 2.03 2.30 2bi0A1 PRO 224 HD2 0.04 -0.01 0.03 -0.04 3.68 3.70 2bi0A1 PRO 224 HD3 0.03 0.01 0.14 -0.04 3.65 3.79 2bi0A1 GLU 225 H 0.04 0.05 -0.40 -0.55 8.60 7.74 2bi0A1 GLU 225 HA 0.04 0.06 0.44 -0.75 4.29 4.07 2bi0A1 GLU 225 HB2 0.01 0.12 0.11 -0.04 2.09 2.28 2bi0A1 GLU 225 HB3 -0.00 0.03 -0.07 -0.04 1.99 1.91 2bi0A1 GLU 225 HG2 0.01 0.04 0.01 -0.04 2.34 2.36 2bi0A1 GLU 225 HG3 0.02 0.02 0.01 -0.04 2.34 2.35 2bi0A1 LEU 226 H -0.01 0.55 -0.11 -0.55 8.37 8.25 2bi0A1 LEU 226 HA -0.06 0.02 0.45 -0.75 4.35 4.01 2bi0A1 LEU 226 HB2 -0.22 0.07 0.08 -0.04 1.64 1.52 2bi0A1 LEU 226 HB3 -0.03 0.07 0.08 -0.04 1.64 1.72 2bi0A1 LEU 226 HG 0.01 -0.01 -0.30 -0.04 1.64 1.29 2bi0A1 LEU 226 HD13 -0.14 -0.00 -0.04 -0.04 0.93 0.71 2bi0A1 LEU 226 HD23 -0.20 -0.01 -0.14 -0.04 0.89 0.50 2bi0A1 ALA 227 H -0.01 0.42 -0.24 -0.55 8.40 8.02 2bi0A1 ALA 227 HA -0.15 -0.03 0.50 -0.75 4.34 3.90 2bi0A1 ALA 227 HB3 -0.03 0.06 0.10 -0.04 1.41 1.50 2bi0A1 ARG 228 H 0.10 0.61 -0.04 -0.55 8.46 8.56 2bi0A1 ARG 228 HA 0.05 0.06 0.31 -0.75 4.34 4.01 2bi0A1 ARG 228 HB2 0.05 0.01 0.08 -0.04 1.90 1.99 2bi0A1 ARG 228 HB3 0.03 -0.04 -0.06 -0.04 1.80 1.69 2bi0A1 ARG 228 HG2 0.07 0.01 -0.02 -0.04 1.67 1.68 2bi0A1 ARG 228 HG3 0.19 0.19 0.03 -0.04 1.67 2.04 2bi0A1 ARG 228 HD2 0.05 -0.04 -0.05 -0.04 3.22 3.13 2bi0A1 ARG 228 HD3 0.03 -0.01 -0.04 -0.04 3.22 3.16 2bi0A1 LEU 229 H 0.01 0.72 -0.12 -0.55 8.37 8.44 2bi0A1 LEU 229 HA 0.01 -0.02 0.47 -0.75 4.35 4.05 2bi0A1 LEU 229 HB2 0.00 0.03 0.07 -0.04 1.64 1.71 2bi0A1 LEU 229 HB3 0.01 0.12 0.07 -0.04 1.64 1.80 2bi0A1 LEU 229 HG 0.03 -0.01 -0.13 -0.04 1.64 1.49 2bi0A1 LEU 229 HD13 0.01 -0.03 0.03 -0.04 0.93 0.91 2bi0A1 LEU 229 HD23 0.06 0.01 -0.10 -0.04 0.89 0.82 2bi0A1 THR 230 H -0.02 0.40 -0.50 -0.55 8.28 7.61 2bi0A1 THR 230 HA -0.00 0.14 0.60 -0.75 4.39 4.38 2bi0A1 THR 230 HB -0.02 0.02 -0.19 -0.04 4.32 4.09 2bi0A1 THR 230 HG23 0.07 -0.03 -0.18 -0.04 1.22 1.04 2bi0A1 LEU 231 H -0.01 0.36 -0.37 -0.55 8.37 7.80 2bi0A1 LEU 231 HA -0.02 0.04 0.20 -0.75 4.35 3.82 2bi0A1 LEU 231 HB2 -0.03 0.17 -0.16 -0.04 1.64 1.57 2bi0A1 LEU 231 HB3 -0.02 -0.03 0.08 -0.04 1.64 1.62 2bi0A1 LEU 231 HG -0.02 -0.00 -0.30 -0.04 1.64 1.28 2bi0A1 LEU 231 HD13 -0.01 -0.00 -0.04 -0.04 0.93 0.83 2bi0A1 LEU 231 HD23 -0.01 0.01 -0.10 -0.04 0.89 0.75 2bi0A1 ASN 232 H -0.03 0.44 -0.23 -0.55 8.53 8.15 2bi0A1 ASN 232 HA -0.03 0.15 0.57 -0.75 4.76 4.70 2bi0A1 ASN 232 HB2 -0.25 0.04 0.04 -0.04 2.88 2.67 2bi0A1 ASN 232 HB3 -0.09 -0.09 0.16 -0.04 2.79 2.73 2bi0A1 ASN 232 HD21 -0.12 -0.05 -0.07 -0.04 7.03 6.74 2bi0A1 ASN 232 HD22 -0.82 0.02 -0.08 -0.04 7.74 6.82 2bi0A1 ILE 233 H 0.00 0.21 0.13 -0.55 8.25 8.04 2bi0A1 ILE 233 HA 0.04 0.20 0.76 -0.75 4.18 4.43 2bi0A1 ILE 233 HB -0.06 -0.04 0.09 -0.04 1.89 1.84 2bi0A1 ILE 233 HG12 -0.04 0.15 -0.08 -0.04 1.49 1.48 2bi0A1 ILE 233 HG13 -0.04 0.04 -0.28 -0.04 1.21 0.89 2bi0A1 ILE 233 HG23 -0.08 0.03 -0.28 -0.04 0.93 0.57 2bi0A1 ILE 233 HD13 -0.03 -0.02 -0.06 -0.04 0.88 0.73 2bi0A1 ALA 234 H 0.06 -0.00 -0.11 -0.55 8.40 7.81 2bi0A1 ALA 234 HA -0.06 0.22 0.75 -0.75 4.34 4.49 2bi0A1 ALA 234 HB3 -0.15 -0.01 0.05 -0.04 1.41 1.26 2bi0A1 ALA 235 H -0.06 0.77 0.39 -0.55 8.40 8.94 2bi0A1 ALA 235 HA 0.08 0.01 0.26 -0.75 4.34 3.93 2bi0A1 ALA 235 HB3 -0.04 0.03 0.15 -0.04 1.41 1.51 2bi0A1 THR 236 H -0.16 0.23 -0.21 -0.55 8.28 7.59 2bi0A1 THR 236 HA -0.03 0.11 0.45 -0.75 4.39 4.16 2bi0A1 THR 236 HB -0.09 0.20 0.07 -0.04 4.32 4.46 2bi0A1 THR 236 HG23 -0.37 0.00 -0.19 -0.04 1.22 0.62 2bi0A1 HIS 237 H -0.32 0.44 -0.37 -0.55 8.41 7.62 2bi0A1 HIS 237 HA -0.07 0.22 0.62 -0.75 4.63 4.64 2bi0A1 HIS 237 HB2 -0.42 0.15 -0.01 -0.04 3.26 2.94 2bi0A1 HIS 237 HB3 -0.24 -0.12 0.04 -0.04 3.20 2.84 2bi0A1 HIS 237 HD2 -0.05 0.04 -0.06 -0.04 6.97 6.86 2bi0A1 HIS 237 HE1 0.11 -0.02 -0.20 -0.04 7.75 7.60 2bi0A1 HIS 238 H 0.03 0.32 -0.28 -0.55 8.41 7.94 2bi0A1 HIS 238 HA 0.08 0.12 0.84 -0.75 4.63 4.92 2bi0A1 HIS 238 HB2 0.01 0.08 0.01 -0.04 3.26 3.31 2bi0A1 HIS 238 HB3 0.03 -0.05 -0.02 -0.04 3.20 3.12 2bi0A1 HIS 238 HD2 0.01 0.21 -0.25 -0.04 6.97 6.90 2bi0A1 HIS 238 HE1 0.02 -0.05 -0.07 -0.04 7.75 7.62 2bi0A1 ASP 239 H 0.07 0.66 0.12 -0.55 8.40 8.70 2bi0A1 ASP 239 HA 0.02 0.12 0.84 -0.75 4.63 4.86 2bi0A1 ASP 239 HB2 -0.01 0.04 -0.01 -0.04 2.71 2.68 2bi0A1 ASP 239 HB3 -0.04 0.07 0.15 -0.04 2.70 2.84 2bi0A1 TRP 240 H 0.22 0.22 0.06 -0.55 7.97 7.92 2bi0A1 TRP 240 HA 0.02 0.09 -0.12 -0.75 4.62 3.85 2bi0A1 TRP 240 HB2 0.01 0.11 -0.12 -0.04 3.23 3.18 2bi0A1 TRP 240 HB3 0.02 -0.01 0.03 -0.04 3.23 3.22 2bi0A1 TRP 240 HD1 0.02 0.02 0.05 -0.04 7.22 7.27 2bi0A1 TRP 240 HE1 0.01 0.00 0.00 -0.04 10.20 10.18 2bi0A1 TRP 240 HE3 0.00 0.07 -0.33 -0.04 7.59 7.29 2bi0A1 TRP 240 HZ2 0.01 -0.01 -0.02 -0.04 7.44 7.38 2bi0A1 TRP 240 HZ3 0.00 0.03 -0.03 -0.04 7.13 7.10 2bi0A1 TRP 240 HH2 0.01 -0.00 -0.02 -0.04 7.19 7.13 2bi0A1 ARG 241 H -0.68 0.05 -0.43 -0.55 8.46 6.84 2bi0A1 ARG 241 HA -0.25 0.20 0.55 -0.75 4.34 4.08 2bi0A1 ARG 241 HB2 -0.55 0.06 0.08 -0.04 1.90 1.45 2bi0A1 ARG 241 HB3 -2.03 -0.02 -0.02 -0.04 1.80 -0.32 2bi0A1 ARG 241 HG2 -0.60 -0.07 -0.03 -0.04 1.67 0.93 2bi0A1 ARG 241 HG3 -0.40 0.07 -0.08 -0.04 1.67 1.22 2bi0A1 ARG 241 HD2 -0.44 0.02 -0.02 -0.04 3.22 2.75 2bi0A1 ARG 241 HD3 -1.02 -0.03 -0.02 -0.04 3.22 2.11 2bi0A1 VAL 242 H -0.10 0.31 -0.33 -0.55 8.24 7.56 2bi0A1 VAL 242 HA -0.06 0.07 0.41 -0.75 4.13 3.80 2bi0A1 VAL 242 HB -0.03 0.01 0.06 -0.04 2.12 2.12 2bi0A1 VAL 242 HG13 -0.04 0.01 -0.08 -0.04 0.97 0.83 2bi0A1 VAL 242 HG23 -0.07 -0.04 -0.06 -0.04 0.95 0.73 2bi0A1 SER 243 H 0.05 0.10 -0.09 -0.55 8.46 7.98 2bi0A1 SER 243 HA 0.04 0.26 0.99 -0.75 4.49 5.02 2bi0A1 SER 243 HB2 0.09 0.13 0.06 -0.04 3.95 4.19 2bi0A1 SER 243 HB3 0.06 -0.02 0.15 -0.04 3.93 4.08 2bi0A1 GLY 244 H 0.15 0.32 -0.07 -0.55 8.43 8.29 2bi0A1 GLY 244 HA2 0.32 -0.04 0.33 -0.51 4.01 4.11 2bi0A1 GLY 244 HA3 0.15 0.13 0.75 -0.51 4.01 4.53 2bi0A1 ARG 245 H 0.15 0.29 -0.25 -0.55 8.46 8.09 2bi0A1 ARG 245 HA 0.15 0.07 0.56 -0.75 4.34 4.36 2bi0A1 ARG 245 HB2 0.05 0.02 -0.10 -0.04 1.90 1.83 2bi0A1 ARG 245 HB3 -0.01 -0.02 0.06 -0.04 1.80 1.80 2bi0A1 ARG 245 HG2 -0.09 0.00 0.05 -0.04 1.67 1.59 2bi0A1 ARG 245 HG3 -0.03 0.01 -0.34 -0.04 1.67 1.27 2bi0A1 ARG 245 HD2 -0.22 -0.01 -0.05 -0.04 3.22 2.90 2bi0A1 ARG 245 HD3 -0.44 0.02 -0.08 -0.04 3.22 2.67 2bi0A1 ARG 246 H 0.16 0.06 0.07 -0.55 8.46 8.20 2bi0A1 ARG 246 HA 0.13 0.24 0.45 -0.75 4.34 4.41 2bi0A1 ARG 246 HB2 0.12 -0.13 0.04 -0.04 1.90 1.88 2bi0A1 ARG 246 HB3 0.10 0.15 -0.14 -0.04 1.80 1.87 2bi0A1 ARG 246 HG2 0.14 -0.02 -0.66 -0.04 1.67 1.10 2bi0A1 ARG 246 HG3 0.23 -0.15 -0.17 -0.04 1.67 1.55 2bi0A1 ARG 246 HD2 0.08 0.26 -0.13 -0.04 3.22 3.39 2bi0A1 ARG 246 HD3 0.15 0.12 -0.19 -0.04 3.22 3.25 2bi0A1 LEU 247 H 0.11 0.45 0.16 -0.55 8.37 8.54 2bi0A1 LEU 247 HA 0.07 0.18 0.78 -0.75 4.35 4.63 2bi0A1 LEU 247 HB2 0.09 -0.08 -0.05 -0.04 1.64 1.56 2bi0A1 LEU 247 HB3 0.04 -0.00 -0.04 -0.04 1.64 1.61 2bi0A1 LEU 247 HG 0.08 0.04 0.00 -0.04 1.64 1.72 2bi0A1 LEU 247 HD13 0.02 0.00 -0.00 -0.04 0.93 0.92 2bi0A1 LEU 247 HD23 0.13 0.01 -0.20 -0.04 0.89 0.79 2bi0A1 VAL 248 H -0.05 0.65 0.23 -0.55 8.24 8.51 2bi0A1 VAL 248 HA -0.02 -0.01 0.38 -0.75 4.13 3.74 2bi0A1 VAL 248 HB -0.14 0.02 -0.10 -0.04 2.12 1.85 2bi0A1 VAL 248 HG13 -0.24 0.02 -0.22 -0.04 0.97 0.49 2bi0A1 VAL 248 HG23 -0.10 0.02 -0.28 -0.04 0.95 0.54 2bi0A1 TYR 249 H -0.23 0.14 0.12 -0.55 8.29 7.78 2bi0A1 TYR 249 HA -0.25 0.06 0.40 -0.75 4.56 4.02 2bi0A1 TYR 249 HB2 -0.99 0.13 0.09 -0.04 3.06 2.25 2bi0A1 TYR 249 HB3 -0.28 -0.01 0.10 -0.04 2.98 2.75 2bi0A1 TYR 249 HD2 -0.03 0.06 -0.06 -0.04 7.15 7.08 2bi0A1 TYR 249 HE2 0.02 0.10 -0.12 -0.04 6.85 6.82 2bi0A1 GLY 250 H 0.05 0.20 0.14 -0.55 8.43 8.27 2bi0A1 GLY 250 HA2 -0.06 0.14 0.34 -0.51 4.01 3.91 2bi0A1 GLY 250 HA3 0.10 0.10 0.29 -0.51 4.01 3.98 2bi0A1 GLY 251 H -1.77 0.13 -0.24 -0.55 8.43 6.00 2bi0A1 GLY 251 HA2 -0.61 0.06 0.37 -0.51 4.01 3.32 2bi0A1 GLY 251 HA3 -0.94 0.10 0.16 -0.51 4.01 2.83 2bi0A1 HIS 252 H -0.52 0.38 -0.42 -0.55 8.41 7.31 2bi0A1 HIS 252 HA -0.20 0.08 0.38 -0.75 4.63 4.13 2bi0A1 HIS 252 HB2 -0.07 -0.05 0.01 -0.04 3.26 3.11 2bi0A1 HIS 252 HB3 -0.17 0.08 -0.06 -0.04 3.20 3.01 2bi0A1 HIS 252 HD2 -0.13 -0.04 -0.21 -0.04 6.97 6.54 2bi0A1 HIS 252 HE1 -0.05 0.05 -0.45 -0.04 7.75 7.26 2bi0A1 THR 253 H -0.20 0.31 -0.19 -0.55 8.28 7.65 2bi0A1 THR 253 HA -0.14 0.07 0.39 -0.75 4.39 3.96 2bi0A1 THR 253 HB -0.21 0.11 0.05 -0.04 4.32 4.23 2bi0A1 THR 253 HG23 -0.16 -0.00 -0.18 -0.04 1.22 0.84 2bi0A1 ILE 254 H -0.48 0.51 -0.18 -0.55 8.25 7.55 2bi0A1 ILE 254 HA -1.17 0.01 0.35 -0.75 4.18 2.61 2bi0A1 ILE 254 HB -0.89 0.03 0.04 -0.04 1.89 1.04 2bi0A1 ILE 254 HG12 -1.60 -0.03 -0.08 -0.04 1.49 -0.27 2bi0A1 ILE 254 HG13 -0.71 0.03 -0.04 -0.04 1.21 0.45 2bi0A1 ILE 254 HG23 -2.27 -0.01 -0.21 -0.04 0.93 -1.59 2bi0A1 ILE 254 HD13 -0.40 -0.02 -0.20 -0.04 0.88 0.22 2bi0A1 GLY 255 H -0.39 0.54 -0.31 -0.55 8.43 7.72 2bi0A1 GLY 255 HA2 -0.23 -0.06 0.40 -0.51 4.01 3.60 2bi0A1 GLY 255 HA3 -0.22 0.10 0.27 -0.51 4.01 3.66 2bi0A1 LEU 256 H -0.12 0.53 -0.16 -0.55 8.37 8.06 2bi0A1 LEU 256 HA -0.04 0.21 0.57 -0.75 4.35 4.34 2bi0A1 LEU 256 HB2 -0.04 0.07 0.05 -0.04 1.64 1.67 2bi0A1 LEU 256 HB3 -0.00 -0.05 -0.10 -0.04 1.64 1.45 2bi0A1 LEU 256 HG 0.07 0.07 0.05 -0.04 1.64 1.78 2bi0A1 LEU 256 HD13 0.02 -0.03 -0.17 -0.04 0.93 0.72 2bi0A1 LEU 256 HD23 0.01 0.08 0.04 -0.04 0.89 0.98 2bi0A1 ALA 257 H -0.13 0.50 -0.25 -0.55 8.40 7.97 2bi0A1 ALA 257 HA 0.12 0.02 0.38 -0.75 4.34 4.10 2bi0A1 ALA 257 HB3 0.21 0.01 -0.03 -0.04 1.41 1.57 2bi0A1 LEU 258 H -0.07 0.61 -0.26 -0.55 8.37 8.11 2bi0A1 LEU 258 HA 0.06 -0.01 0.38 -0.75 4.35 4.03 2bi0A1 LEU 258 HB2 -0.14 0.14 0.07 -0.04 1.64 1.66 2bi0A1 LEU 258 HB3 -0.02 0.12 -0.01 -0.04 1.64 1.69 2bi0A1 LEU 258 HG -0.20 -0.01 -0.08 -0.04 1.64 1.32 2bi0A1 LEU 258 HD13 0.02 -0.02 -0.09 -0.04 0.93 0.79 2bi0A1 LEU 258 HD23 -0.18 -0.02 -0.09 -0.04 0.89 0.56 2bi0A1 ALA 259 H 0.00 0.59 -0.20 -0.55 8.40 8.25 2bi0A1 ALA 259 HA 0.05 -0.11 0.31 -0.75 4.34 3.84 2bi0A1 ALA 259 HB3 0.01 0.06 0.08 -0.04 1.41 1.51 2bi0A1 GLN 260 H 0.06 0.65 -0.24 -0.55 8.47 8.40 2bi0A1 GLN 260 HA 0.07 0.01 0.43 -0.75 4.36 4.12 2bi0A1 GLN 260 HB2 0.12 0.10 0.11 -0.04 2.15 2.43 2bi0A1 GLN 260 HB3 0.12 -0.11 -0.03 -0.04 2.02 1.95 2bi0A1 GLN 260 HG2 0.09 0.09 0.02 -0.04 2.40 2.56 2bi0A1 GLN 260 HG3 0.06 0.08 0.00 -0.04 2.39 2.49 2bi0A1 GLN 260 HE21 0.07 -0.04 -0.27 -0.04 6.97 6.68 2bi0A1 GLN 260 HE22 0.07 -0.02 -0.10 -0.04 7.69 7.60 2bi0A1 ALA 261 H 0.13 0.57 -0.23 -0.55 8.40 8.32 2bi0A1 ALA 261 HA 0.11 -0.00 0.38 -0.75 4.34 4.07 2bi0A1 ALA 261 HB3 0.25 0.01 -0.01 -0.04 1.41 1.62 2bi0A1 THR 262 H 0.09 0.50 -0.32 -0.55 8.28 7.99 2bi0A1 THR 262 HA 0.08 0.18 0.46 -0.75 4.39 4.37 2bi0A1 THR 262 HB 0.07 0.01 -0.13 -0.04 4.32 4.24 2bi0A1 THR 262 HG23 0.08 0.01 -0.09 -0.04 1.22 1.18 2bi0A1 ARG 263 H 0.06 0.48 -0.19 -0.55 8.46 8.26 2bi0A1 ARG 263 HA 0.04 0.06 0.59 -0.75 4.34 4.27 2bi0A1 ARG 263 HB2 0.05 0.08 0.11 -0.04 1.90 2.10 2bi0A1 ARG 263 HB3 0.04 -0.06 -0.00 -0.04 1.80 1.74 2bi0A1 ARG 263 HG2 0.03 -0.03 -0.01 -0.04 1.67 1.62 2bi0A1 ARG 263 HG3 0.04 0.17 -0.03 -0.04 1.67 1.81 2bi0A1 ARG 263 HD2 0.03 -0.03 -0.02 -0.04 3.22 3.16 2bi0A1 ARG 263 HD3 0.03 -0.03 -0.07 -0.04 3.22 3.11 2bi0A1 LEU 264 H 0.06 0.33 -0.32 -0.55 8.37 7.89 2bi0A1 LEU 264 HA 0.03 0.04 0.48 -0.75 4.35 4.14 2bi0A1 LEU 264 HB2 0.05 0.09 0.10 -0.04 1.64 1.84 2bi0A1 LEU 264 HB3 0.02 -0.07 -0.07 -0.04 1.64 1.47 2bi0A1 LEU 264 HG 0.05 0.06 -0.03 -0.04 1.64 1.68 2bi0A1 LEU 264 HD13 0.04 -0.05 -0.26 -0.04 0.93 0.63 2bi0A1 LEU 264 HD23 0.02 0.03 -0.07 -0.04 0.89 0.83 2bi0A1 LEU 265 H 0.05 0.46 -0.29 -0.55 8.37 8.04 2bi0A1 LEU 265 HA 0.03 0.16 0.73 -0.75 4.35 4.52 2bi0A1 LEU 265 HB2 0.06 0.16 0.11 -0.04 1.64 1.93 2bi0A1 LEU 265 HB3 0.05 -0.17 0.05 -0.04 1.64 1.53 2bi0A1 LEU 265 HG 0.02 -0.07 -0.08 -0.04 1.64 1.46 2bi0A1 LEU 265 HD13 -0.00 0.01 -0.19 -0.04 0.93 0.71 2bi0A1 LEU 265 HD23 0.01 -0.02 -0.12 -0.04 0.89 0.72 2bi0A1 PRO 266 HA 0.06 0.29 0.33 -0.51 4.44 4.61 2bi0A1 PRO 266 HB2 0.05 0.01 -0.05 -0.04 2.28 2.24 2bi0A1 PRO 266 HB3 0.04 -0.00 0.11 -0.04 2.02 2.13 2bi0A1 PRO 266 HG2 0.02 0.00 0.00 -0.04 2.03 2.02 2bi0A1 PRO 266 HG3 0.03 0.18 -0.04 -0.04 2.03 2.15 2bi0A1 PRO 266 HD2 0.03 0.05 0.06 -0.04 3.68 3.78 2bi0A1 PRO 266 HD3 0.03 0.36 -0.36 -0.04 3.65 3.63 2bi0A1 ASN 267 H 0.09 0.07 -0.47 -0.55 8.53 7.67 2bi0A1 ASN 267 HA 0.28 0.22 0.80 -0.75 4.76 5.30 2bi0A1 ASN 267 HB2 0.17 0.03 -0.01 -0.04 2.88 3.03 2bi0A1 ASN 267 HB3 0.41 -0.17 0.10 -0.04 2.79 3.09 2bi0A1 ASN 267 HD21 -0.02 0.60 -0.03 -0.04 7.03 7.53 2bi0A1 ASN 267 HD22 0.08 0.01 -0.09 -0.04 7.74 7.70 2bi0A1 LEU 268 H 0.08 0.35 -0.21 -0.55 8.37 8.05 2bi0A1 LEU 268 HA -0.02 0.00 0.46 -0.75 4.35 4.03 2bi0A1 LEU 268 HB2 0.05 -0.01 -0.01 -0.04 1.64 1.63 2bi0A1 LEU 268 HB3 0.02 -0.05 -0.06 -0.04 1.64 1.50 2bi0A1 LEU 268 HG 0.07 0.36 0.04 -0.04 1.64 2.07 2bi0A1 LEU 268 HD13 0.15 -0.03 -0.16 -0.04 0.93 0.86 2bi0A1 LEU 268 HD23 0.04 -0.03 -0.13 -0.04 0.89 0.73 2bi0A1 ALA 269 H -0.22 0.74 0.44 -0.55 8.40 8.81 2bi0A1 ALA 269 HA -0.17 0.07 0.65 -0.75 4.34 4.14 2bi0A1 ALA 269 HB3 -0.53 -0.04 0.04 -0.04 1.41 0.84 2bi0A1 THR 270 H -0.16 0.33 0.26 -0.55 8.28 8.16 2bi0A1 THR 270 HA -0.16 0.07 0.49 -0.75 4.39 4.04 2bi0A1 THR 270 HB -0.19 0.14 -0.27 -0.04 4.32 3.96 2bi0A1 THR 270 HG23 -0.64 -0.02 -0.28 -0.04 1.22 0.24 2bi0A1 VAL 271 H -0.09 0.14 0.14 -0.55 8.24 7.88 2bi0A1 VAL 271 HA 0.18 0.21 1.00 -0.75 4.13 4.77 2bi0A1 VAL 271 HB 0.20 -0.05 0.08 -0.04 2.12 2.30 2bi0A1 VAL 271 HG13 0.48 0.02 -0.15 -0.04 0.97 1.28 2bi0A1 VAL 271 HG23 0.04 -0.00 -0.07 -0.04 0.95 0.88 2bi0A1 LEU 272 H 0.20 0.59 0.29 -0.55 8.37 8.91 2bi0A1 LEU 272 HA 0.36 0.14 0.64 -0.75 4.35 4.73 2bi0A1 LEU 272 HB2 0.07 -0.02 -0.02 -0.04 1.64 1.63 2bi0A1 LEU 272 HB3 0.06 0.05 -0.00 -0.04 1.64 1.71 2bi0A1 LEU 272 HG -0.03 -0.12 -0.16 -0.04 1.64 1.29 2bi0A1 LEU 272 HD13 -0.13 0.00 -0.16 -0.04 0.93 0.61 2bi0A1 LEU 272 HD23 -0.01 0.02 -0.13 -0.04 0.89 0.74 2bi0A1 ASP 273 H 0.30 0.25 0.30 -0.55 8.40 8.70 2bi0A1 ASP 273 HA 0.18 0.10 0.43 -0.75 4.63 4.59 2bi0A1 ASP 273 HB2 0.04 0.30 0.35 -0.04 2.71 3.35 2bi0A1 ASP 273 HB3 0.08 -0.03 -0.30 -0.04 2.70 2.41 2bi0A1 TRP 274 H -0.01 0.62 0.33 -0.55 7.97 8.36 2bi0A1 TRP 274 HA 0.22 0.13 0.58 -0.75 4.62 4.79 2bi0A1 TRP 274 HB2 0.59 0.08 0.21 -0.04 3.23 4.06 2bi0A1 TRP 274 HB3 0.41 0.03 0.08 -0.04 3.23 3.72 2bi0A1 TRP 274 HD1 0.24 -0.02 -0.29 -0.04 7.22 7.11 2bi0A1 TRP 274 HE1 -0.02 0.00 -0.14 -0.04 10.20 9.99 2bi0A1 TRP 274 HE3 0.38 0.06 -0.27 -0.04 7.59 7.72 2bi0A1 TRP 274 HZ2 -0.30 -0.00 -0.13 -0.04 7.44 6.97 2bi0A1 TRP 274 HZ3 0.18 -0.04 -0.13 -0.04 7.13 7.10 2bi0A1 TRP 274 HH2 -0.65 -0.02 -0.13 -0.04 7.19 6.35 2bi0A1 GLU 275 H 0.69 0.71 0.47 -0.55 8.60 9.92 2bi0A1 GLU 275 HA 0.27 0.07 0.50 -0.75 4.29 4.37 2bi0A1 GLU 275 HB2 0.19 0.24 0.35 -0.04 2.09 2.83 2bi0A1 GLU 275 HB3 0.12 -0.17 0.13 -0.04 1.99 2.03 2bi0A1 GLU 275 HG2 0.21 -0.03 0.01 -0.04 2.34 2.49 2bi0A1 GLU 275 HG3 0.19 0.01 -0.29 -0.04 2.34 2.21 2bi0A1 SER 276 H 0.45 0.70 0.46 -0.55 8.46 9.53 2bi0A1 SER 276 HA 0.44 0.07 0.95 -0.75 4.49 5.20 2bi0A1 SER 276 HB2 -0.01 0.06 0.09 -0.04 3.95 4.05 2bi0A1 SER 276 HB3 0.64 -0.05 0.06 -0.04 3.93 4.53 2bi0A1 CYS 277 H 0.16 0.65 0.52 -0.55 8.50 9.28 2bi0A1 CYS 277 HA 0.06 0.15 0.76 -0.75 4.58 4.80 2bi0A1 CYS 277 HB2 0.06 0.03 0.00 -0.04 2.97 3.02 2bi0A1 CYS 277 HB3 0.03 -0.00 0.00 -0.04 2.97 2.95 2bi0A1 ASP 278 H 0.01 0.29 0.28 -0.55 8.40 8.43 2bi0A1 ASP 278 HA 0.09 0.18 0.48 -0.75 4.63 4.62 2bi0A1 ASP 278 HB2 0.03 0.13 -0.12 -0.04 2.71 2.71 2bi0A1 ASP 278 HB3 0.01 -0.12 0.03 -0.04 2.70 2.57 2bi0A1 HIS 279 H 0.18 0.35 0.06 -0.55 8.41 8.47 2bi0A1 HIS 279 HA 0.02 0.06 0.90 -0.75 4.63 4.85 2bi0A1 HIS 279 HB2 0.02 0.10 0.21 -0.04 3.26 3.55 2bi0A1 HIS 279 HB3 -0.00 0.03 0.10 -0.04 3.20 3.28 2bi0A1 HIS 279 HD2 0.08 0.28 -0.23 -0.04 6.97 7.06 2bi0A1 HIS 279 HE1 0.26 -0.09 -0.07 -0.04 7.75 7.80 2bi0A1 THR 280 H -0.01 0.32 -0.14 -0.55 8.28 7.91 2bi0A1 THR 280 HA 0.03 0.03 0.08 -0.75 4.39 3.78 2bi0A1 THR 280 HB -0.03 0.03 -0.41 -0.04 4.32 3.86 2bi0A1 THR 280 HG23 0.00 -0.02 -0.11 -0.04 1.22 1.05 2bi0A1 ALA 281 H -0.00 0.40 0.15 -0.55 8.40 8.40 2bi0A1 ALA 281 HA 0.01 0.15 0.53 -0.75 4.34 4.27 2bi0A1 ALA 281 HB3 0.00 0.02 -0.00 -0.04 1.41 1.39 2bi0A1 PRO 282 HA -0.09 0.05 0.54 -0.51 4.44 4.44 2bi0A1 PRO 282 HB2 -0.30 0.03 -0.06 -0.04 2.28 1.92 2bi0A1 PRO 282 HB3 -0.04 0.05 0.08 -0.04 2.02 2.06 2bi0A1 PRO 282 HG2 0.04 -0.00 0.03 -0.04 2.03 2.06 2bi0A1 PRO 282 HG3 0.06 0.07 0.04 -0.04 2.03 2.16 2bi0A1 PRO 282 HD2 0.02 0.09 0.20 -0.04 3.68 3.95 2bi0A1 PRO 282 HD3 0.01 0.16 0.13 -0.04 3.65 3.91 2bi0A1 VAL 283 H -0.19 0.16 0.23 -0.55 8.24 7.88 2bi0A1 VAL 283 HA -0.21 0.21 0.92 -0.75 4.13 4.30 2bi0A1 VAL 283 HB -0.15 -0.01 0.05 -0.04 2.12 1.97 2bi0A1 VAL 283 HG13 -0.15 -0.02 -0.15 -0.04 0.97 0.61 2bi0A1 VAL 283 HG23 -0.11 0.04 -0.12 -0.04 0.95 0.71 2bi0A1 HIS 284 H -0.09 0.21 0.14 -0.55 8.41 8.13 2bi0A1 HIS 284 HA -0.02 0.19 0.89 -0.75 4.63 4.94 2bi0A1 HIS 284 HB2 -0.02 -0.01 -0.03 -0.04 3.26 3.16 2bi0A1 HIS 284 HB3 -0.01 0.05 0.04 -0.04 3.20 3.23 2bi0A1 HIS 284 HD2 0.02 0.34 -0.06 -0.04 6.97 7.23 2bi0A1 HIS 284 HE1 0.01 0.03 -0.12 -0.04 7.75 7.62 2bi0A1 GLU 285 H 0.07 0.18 0.11 -0.55 8.60 8.42 2bi0A1 GLU 285 HA -0.05 -0.00 0.38 -0.75 4.29 3.87 2bi0A1 GLU 285 HB2 0.01 -0.02 0.11 -0.04 2.09 2.16 2bi0A1 GLU 285 HB3 0.02 0.04 0.12 -0.04 1.99 2.13 2bi0A1 GLU 285 HG2 0.01 0.02 0.02 -0.04 2.34 2.35 2bi0A1 GLU 285 HG3 0.00 0.15 -0.02 -0.04 2.34 2.43 2bi0A1 GLY 286 H -0.03 0.63 0.37 -0.55 8.43 8.86 2bi0A1 GLY 286 HA2 -0.00 0.00 0.40 -0.51 4.01 3.91 2bi0A1 GLY 286 HA3 0.00 0.10 0.68 -0.51 4.01 4.28 2bi0A1 ASP 287 H -0.00 0.40 -0.20 -0.55 8.40 8.06 2bi0A1 ASP 287 HA 0.02 0.09 0.61 -0.75 4.63 4.60 2bi0A1 ASP 287 HB2 -0.04 -0.01 0.12 -0.04 2.71 2.74 2bi0A1 ASP 287 HB3 -0.02 0.02 -0.01 -0.04 2.70 2.64 2bi0A1 THR 288 H 0.02 0.23 0.28 -0.55 8.28 8.26 2bi0A1 THR 288 HA 0.02 0.27 1.02 -0.75 4.39 4.95 2bi0A1 THR 288 HB 0.06 -0.04 0.18 -0.04 4.32 4.48 2bi0A1 THR 288 HG23 0.07 -0.00 -0.14 -0.04 1.22 1.11 2bi0A1 LEU 289 H 0.04 0.69 0.37 -0.55 8.37 8.92 2bi0A1 LEU 289 HA -0.04 0.37 1.12 -0.75 4.35 5.04 2bi0A1 LEU 289 HB2 -0.01 -0.03 -0.02 -0.04 1.64 1.54 2bi0A1 LEU 289 HB3 -0.05 0.03 -0.06 -0.04 1.64 1.51 2bi0A1 LEU 289 HG -0.05 -0.03 -0.28 -0.04 1.64 1.25 2bi0A1 LEU 289 HD13 -0.09 -0.01 -0.13 -0.04 0.93 0.65 2bi0A1 LEU 289 HD23 -0.06 0.02 -0.28 -0.04 0.89 0.52 2bi0A1 TYR 290 H -0.31 0.46 0.35 -0.55 8.29 8.24 2bi0A1 TYR 290 HA 0.08 0.26 0.62 -0.75 4.56 4.77 2bi0A1 TYR 290 HB2 0.09 0.11 -0.05 -0.04 3.06 3.17 2bi0A1 TYR 290 HB3 0.07 -0.04 -0.22 -0.04 2.98 2.74 2bi0A1 TYR 290 HD2 0.11 0.02 -0.26 -0.04 7.15 6.98 2bi0A1 TYR 290 HE2 -0.09 -0.02 -0.15 -0.04 6.85 6.55 2bi0A1 SER 291 H 0.32 0.24 0.18 -0.55 8.46 8.65 2bi0A1 SER 291 HA 0.24 0.31 1.06 -0.75 4.49 5.35 2bi0A1 SER 291 HB2 0.18 0.03 -0.07 -0.04 3.95 4.06 2bi0A1 SER 291 HB3 0.14 -0.03 -0.19 -0.04 3.93 3.81 2bi0A1 GLU 292 H 0.32 0.61 0.38 -0.55 8.60 9.36 2bi0A1 GLU 292 HA 0.11 0.28 0.95 -0.75 4.29 4.88 2bi0A1 GLU 292 HB2 0.42 -0.00 0.10 -0.04 2.09 2.56 2bi0A1 GLU 292 HB3 0.40 -0.06 0.24 -0.04 1.99 2.53 2bi0A1 GLU 292 HG2 -0.07 -0.03 -0.17 -0.04 2.34 2.03 2bi0A1 GLU 292 HG3 -0.21 0.09 -0.02 -0.04 2.34 2.16 2bi0A1 LEU 293 H -0.08 0.86 0.27 -0.55 8.37 8.87 2bi0A1 LEU 293 HA 0.06 0.20 1.01 -0.75 4.35 4.86 2bi0A1 LEU 293 HB2 0.06 -0.03 -0.13 -0.04 1.64 1.50 2bi0A1 LEU 293 HB3 -0.03 -0.03 0.07 -0.04 1.64 1.61 2bi0A1 LEU 293 HG -0.05 0.01 -0.37 -0.04 1.64 1.20 2bi0A1 LEU 293 HD13 0.01 0.02 -0.15 -0.04 0.93 0.77 2bi0A1 LEU 293 HD23 0.03 -0.01 -0.11 -0.04 0.89 0.77 2bi0A1 HIS 294 H 0.15 0.82 0.42 -0.55 8.41 9.26 2bi0A1 HIS 294 HA -0.07 0.27 0.95 -0.75 4.63 5.02 2bi0A1 HIS 294 HB2 -0.08 -0.07 0.28 -0.04 3.26 3.35 2bi0A1 HIS 294 HB3 -0.06 0.03 -0.03 -0.04 3.20 3.10 2bi0A1 HIS 294 HD2 -0.01 0.12 -0.12 -0.04 6.97 6.93 2bi0A1 HIS 294 HE1 0.02 -0.00 -0.04 -0.04 7.75 7.69 2bi0A1 ILE 295 H -0.06 0.75 0.19 -0.55 8.25 8.58 2bi0A1 ILE 295 HA -0.10 0.14 0.95 -0.75 4.18 4.42 2bi0A1 ILE 295 HB -0.05 0.02 0.22 -0.04 1.89 2.04 2bi0A1 ILE 295 HG12 -0.08 -0.03 -0.10 -0.04 1.49 1.24 2bi0A1 ILE 295 HG13 -0.07 0.04 -0.11 -0.04 1.21 1.03 2bi0A1 ILE 295 HG23 -0.05 -0.04 -0.14 -0.04 0.93 0.66 2bi0A1 ILE 295 HD13 -0.05 0.00 -0.07 -0.04 0.88 0.72 2bi0A1 GLU 296 H -0.08 0.48 0.23 -0.55 8.60 8.68 2bi0A1 GLU 296 HA -0.01 0.06 0.40 -0.75 4.29 3.98 2bi0A1 GLU 296 HB2 -0.07 -0.01 -0.05 -0.04 2.09 1.91 2bi0A1 GLU 296 HB3 -0.04 -0.02 -0.02 -0.04 1.99 1.86 2bi0A1 GLU 296 HG2 -0.03 -0.01 -0.09 -0.04 2.34 2.17 2bi0A1 GLU 296 HG3 -0.09 0.04 -0.11 -0.04 2.34 2.14 2bi0A1 SER 297 H -0.05 0.41 0.17 -0.55 8.46 8.45 2bi0A1 SER 297 HA -0.00 0.18 0.72 -0.75 4.49 4.63 2bi0A1 SER 297 HB2 0.01 0.01 0.03 -0.04 3.95 3.96 2bi0A1 SER 297 HB3 -0.01 0.14 -0.14 -0.04 3.93 3.87 2bi0A1 ALA 298 H 0.04 0.29 0.13 -0.55 8.40 8.32 2bi0A1 ALA 298 HA 0.18 0.21 0.75 -0.75 4.34 4.72 2bi0A1 ALA 298 HB3 0.03 0.05 0.03 -0.04 1.41 1.47 2bi0A1 GLN 299 H 0.19 0.63 0.24 -0.55 8.47 8.98 2bi0A1 GLN 299 HA 0.12 0.18 1.02 -0.75 4.36 4.93 2bi0A1 GLN 299 HB2 0.12 -0.05 0.13 -0.04 2.15 2.31 2bi0A1 GLN 299 HB3 0.00 0.09 0.04 -0.04 2.02 2.10 2bi0A1 GLN 299 HG2 0.04 0.04 -0.12 -0.04 2.40 2.31 2bi0A1 GLN 299 HG3 0.06 -0.06 -0.11 -0.04 2.39 2.25 2bi0A1 GLN 299 HE21 0.03 0.02 -0.08 -0.04 6.97 6.90 2bi0A1 GLN 299 HE22 0.03 0.00 -0.11 -0.04 7.69 7.57 2bi0A1 ALA 300 H 0.14 0.14 0.18 -0.55 8.40 8.30 2bi0A1 ALA 300 HA -0.24 0.08 0.61 -0.75 4.34 4.04 2bi0A1 ALA 300 HB3 0.15 0.01 0.10 -0.04 1.41 1.64 2bi0A1 HIS 301 H -0.08 0.87 0.40 -0.55 8.41 9.05 2bi0A1 HIS 301 HA -0.06 0.12 0.64 -0.75 4.63 4.58 2bi0A1 HIS 301 HB2 -0.15 0.10 -0.25 -0.04 3.26 2.92 2bi0A1 HIS 301 HB3 -0.07 -0.13 0.04 -0.04 3.20 3.00 2bi0A1 HIS 301 HD2 -0.06 -0.04 0.01 -0.04 6.97 6.83 2bi0A1 HIS 301 HE1 -0.08 -0.04 -0.07 -0.04 7.75 7.52 2bi0A1 ALA 302 H 0.06 0.13 0.09 -0.55 8.40 8.12 2bi0A1 ALA 302 HA 0.02 0.07 0.37 -0.75 4.34 4.05 2bi0A1 ALA 302 HB3 0.03 0.01 0.10 -0.04 1.41 1.50 2bi0A1 ASP 303 H 0.06 0.08 -0.35 -0.55 8.40 7.65 2bi0A1 ASP 303 HA 0.05 0.12 0.80 -0.75 4.63 4.84 2bi0A1 ASP 303 HB2 0.03 0.02 -0.04 -0.04 2.71 2.68 2bi0A1 ASP 303 HB3 0.09 0.00 0.13 -0.04 2.70 2.89 2bi0A1 GLY 304 H 0.08 0.17 0.06 -0.55 8.43 8.20 2bi0A1 GLY 304 HA2 0.11 0.07 0.40 -0.51 4.01 4.08 2bi0A1 GLY 304 HA3 0.06 0.03 0.59 -0.51 4.01 4.19 2bi0A1 GLY 305 H -0.44 0.53 0.39 -0.55 8.43 8.36 2bi0A1 GLY 305 HA2 -0.38 0.08 0.55 -0.51 4.01 3.76 2bi0A1 GLY 305 HA3 -1.96 -0.03 0.27 -0.51 4.01 1.78 2bi0A1 VAL 306 H -0.20 0.56 0.28 -0.55 8.24 8.33 2bi0A1 VAL 306 HA -0.17 0.24 1.14 -0.75 4.13 4.59 2bi0A1 VAL 306 HB -0.04 -0.02 0.10 -0.04 2.12 2.13 2bi0A1 VAL 306 HG13 -0.06 -0.01 -0.21 -0.04 0.97 0.64 2bi0A1 VAL 306 HG23 -0.44 -0.01 -0.18 -0.04 0.95 0.28 2bi0A1 LEU 307 H -0.02 0.62 0.36 -0.55 8.37 8.78 2bi0A1 LEU 307 HA 0.06 0.23 1.00 -0.75 4.35 4.88 2bi0A1 LEU 307 HB2 -0.06 -0.06 0.07 -0.04 1.64 1.55 2bi0A1 LEU 307 HB3 -0.05 0.09 -0.00 -0.04 1.64 1.64 2bi0A1 LEU 307 HG 0.15 -0.06 -0.10 -0.04 1.64 1.59 2bi0A1 LEU 307 HD13 0.03 0.01 -0.11 -0.04 0.93 0.81 2bi0A1 LEU 307 HD23 0.12 -0.00 -0.08 -0.04 0.89 0.89 2bi0A1 GLY 308 H -0.05 0.59 0.27 -0.55 8.43 8.70 2bi0A1 GLY 308 HA2 -0.16 0.17 0.97 -0.51 4.01 4.48 2bi0A1 GLY 308 HA3 -0.09 -0.02 0.37 -0.51 4.01 3.76 2bi0A1 LEU 309 H -0.48 0.83 0.45 -0.55 8.37 8.63 2bi0A1 LEU 309 HA -0.29 0.29 1.19 -0.75 4.35 4.78 2bi0A1 LEU 309 HB2 -1.95 -0.05 0.02 -0.04 1.64 -0.38 2bi0A1 LEU 309 HB3 -0.64 0.02 -0.04 -0.04 1.64 0.94 2bi0A1 LEU 309 HG -0.39 -0.21 -0.89 -0.04 1.64 0.12 2bi0A1 LEU 309 HD13 -0.47 0.00 -0.19 -0.04 0.93 0.24 2bi0A1 LEU 309 HD23 -0.18 0.02 -0.12 -0.04 0.89 0.58 2bi0A1 ARG 310 H -0.16 0.69 0.42 -0.55 8.46 8.86 2bi0A1 ARG 310 HA -0.28 0.20 1.04 -0.75 4.34 4.55 2bi0A1 ARG 310 HB2 -0.14 -0.01 0.02 -0.04 1.90 1.73 2bi0A1 ARG 310 HB3 -0.13 -0.03 0.18 -0.04 1.80 1.77 2bi0A1 ARG 310 HG2 -0.17 -0.04 -0.09 -0.04 1.67 1.32 2bi0A1 ARG 310 HG3 -0.12 0.17 0.10 -0.04 1.67 1.78 2bi0A1 ARG 310 HD2 -0.09 -0.01 -0.03 -0.04 3.22 3.06 2bi0A1 ARG 310 HD3 -0.13 -0.01 -0.03 -0.04 3.22 3.01 2bi0A1 SER 311 H -0.30 0.69 0.35 -0.55 8.46 8.66 2bi0A1 SER 311 HA 0.06 0.31 1.03 -0.75 4.49 5.14 2bi0A1 SER 311 HB2 -0.07 -0.01 -0.16 -0.04 3.95 3.67 2bi0A1 SER 311 HB3 -0.62 -0.05 0.06 -0.04 3.93 3.27 2bi0A1 LEU 312 H 0.15 0.69 0.42 -0.55 8.37 9.08 2bi0A1 LEU 312 HA -0.02 0.24 1.16 -0.75 4.35 4.97 2bi0A1 LEU 312 HB2 0.23 -0.06 0.27 -0.04 1.64 2.04 2bi0A1 LEU 312 HB3 -0.12 0.02 0.08 -0.04 1.64 1.58 2bi0A1 LEU 312 HG 0.06 0.02 -0.03 -0.04 1.64 1.64 2bi0A1 LEU 312 HD13 0.15 0.00 -0.00 -0.04 0.93 1.03 2bi0A1 LEU 312 HD23 -0.03 0.02 0.01 -0.04 0.89 0.85 2bi0A1 VAL 313 H -0.18 0.71 0.42 -0.55 8.24 8.64 2bi0A1 VAL 313 HA -0.09 0.27 1.02 -0.75 4.13 4.57 2bi0A1 VAL 313 HB -0.11 -0.12 0.10 -0.04 2.12 1.95 2bi0A1 VAL 313 HG13 -0.09 0.02 -0.16 -0.04 0.97 0.70 2bi0A1 VAL 313 HG23 0.12 0.01 -0.24 -0.04 0.95 0.80 2bi0A1 TYR 314 H -0.23 0.77 0.44 -0.55 8.29 8.72 2bi0A1 TYR 314 HA -0.16 0.21 1.01 -0.75 4.56 4.87 2bi0A1 TYR 314 HB2 -1.33 -0.04 -0.05 -0.04 3.06 1.60 2bi0A1 TYR 314 HB3 -0.37 0.03 -0.21 -0.04 2.98 2.39 2bi0A1 TYR 314 HD2 -0.10 0.03 -0.40 -0.04 7.15 6.63 2bi0A1 TYR 314 HE2 0.09 -0.01 -0.10 -0.04 6.85 6.79 2bi0A1 ALA 315 H -0.01 0.65 0.34 -0.55 8.40 8.83 2bi0A1 ALA 315 HA -0.03 0.25 0.98 -0.75 4.34 4.78 2bi0A1 ALA 315 HB3 -0.00 -0.00 0.09 -0.04 1.41 1.46 2bi0A1 VAL 316 H 0.05 0.72 0.38 -0.55 8.24 8.84 2bi0A1 VAL 316 HA 0.16 -0.04 0.52 -0.75 4.13 4.02 2bi0A1 VAL 316 HB 0.09 -0.03 0.22 -0.04 2.12 2.36 2bi0A1 VAL 316 HG13 0.07 0.03 -0.07 -0.04 0.97 0.97 2bi0A1 VAL 316 HG23 0.27 -0.01 -0.07 -0.04 0.95 1.11 2bi0A1 SER 317 H 0.08 0.08 0.14 -0.55 8.46 8.21 2bi0A1 SER 317 HA 0.04 0.13 0.64 -0.75 4.49 4.55 2bi0A1 SER 317 HB2 0.03 -0.13 0.02 -0.04 3.95 3.83 2bi0A1 SER 317 HB3 0.05 0.24 -0.22 -0.04 3.93 3.96 2bi0A1 ASP 318 H 0.02 0.13 0.10 -0.55 8.40 8.11 2bi0A1 ASP 318 HA 0.02 0.22 0.40 -0.75 4.63 4.52 2bi0A1 ASP 318 HB2 0.01 -0.01 0.11 -0.04 2.71 2.77 2bi0A1 ASP 318 HB3 0.01 -0.01 0.16 -0.04 2.70 2.81 2bi0A1 SER 319 H 0.02 0.19 -0.27 -0.55 8.46 7.86 2bi0A1 SER 319 HA 0.01 0.18 0.48 -0.75 4.49 4.41 2bi0A1 SER 319 HB2 0.00 -0.04 0.13 -0.04 3.95 3.99 2bi0A1 SER 319 HB3 0.01 0.14 -0.21 -0.04 3.93 3.82 2bi0A1 ALA 320 H 0.00 0.17 0.11 -0.55 8.40 8.14 2bi0A1 ALA 320 HA -0.00 0.13 0.49 -0.75 4.34 4.21 2bi0A1 ALA 320 HB3 -0.00 0.01 0.08 -0.04 1.41 1.46 2bi0A1 SER 321 H 0.00 0.00 -0.42 -0.55 8.46 7.50 2bi0A1 SER 321 HA 0.00 0.25 0.85 -0.75 4.49 4.84 2bi0A1 SER 321 HB2 0.00 0.01 -0.00 -0.04 3.95 3.92 2bi0A1 SER 321 HB3 0.00 -0.06 0.03 -0.04 3.93 3.86 2bi0A1 GLU 322 H 0.01 0.47 -0.30 -0.55 8.60 8.23 2bi0A1 GLU 322 HA 0.01 0.20 0.77 -0.75 4.29 4.53 2bi0A1 GLU 322 HB2 0.02 -0.12 0.04 -0.04 2.09 1.99 2bi0A1 GLU 322 HB3 0.02 0.10 0.01 -0.04 1.99 2.09 2bi0A1 GLU 322 HG2 0.01 0.09 -0.05 -0.04 2.34 2.35 2bi0A1 GLU 322 HG3 0.01 -0.12 -0.54 -0.04 2.34 1.65 2bi0A1 PRO 323 HA 0.02 0.02 0.47 -0.51 4.44 4.44 2bi0A1 PRO 323 HB2 0.04 0.20 0.00 -0.04 2.28 2.47 2bi0A1 PRO 323 HB3 0.02 -0.02 0.09 -0.04 2.02 2.07 2bi0A1 PRO 323 HG2 0.03 0.04 0.07 -0.04 2.03 2.13 2bi0A1 PRO 323 HG3 0.02 0.02 0.07 -0.04 2.03 2.10 2bi0A1 PRO 323 HD2 0.02 0.07 0.21 -0.04 3.68 3.94 2bi0A1 PRO 323 HD3 0.02 0.13 0.09 -0.04 3.65 3.85 2bi0A1 ASP 324 H 0.05 0.03 0.19 -0.55 8.40 8.12 2bi0A1 ASP 324 HA 0.08 0.12 0.63 -0.75 4.63 4.70 2bi0A1 ASP 324 HB2 0.09 -0.06 0.05 -0.04 2.71 2.76 2bi0A1 ASP 324 HB3 0.13 0.09 -0.02 -0.04 2.70 2.85 2bi0A1 ARG 325 H 0.09 0.48 0.28 -0.55 8.46 8.76 2bi0A1 ARG 325 HA 0.12 0.18 0.95 -0.75 4.34 4.84 2bi0A1 ARG 325 HB2 0.05 0.09 -0.03 -0.04 1.90 1.96 2bi0A1 ARG 325 HB3 0.06 0.05 -0.08 -0.04 1.80 1.79 2bi0A1 ARG 325 HG2 0.05 0.05 0.09 -0.04 1.67 1.82 2bi0A1 ARG 325 HG3 0.03 -0.10 -0.06 -0.04 1.67 1.50 2bi0A1 ARG 325 HD2 0.03 0.05 -0.06 -0.04 3.22 3.20 2bi0A1 ARG 325 HD3 0.04 -0.00 -0.04 -0.04 3.22 3.18 2bi0A1 GLN 326 H 0.13 0.16 0.11 -0.55 8.47 8.32 2bi0A1 GLN 326 HA -0.36 0.12 0.65 -0.75 4.36 4.01 2bi0A1 GLN 326 HB2 0.04 -0.01 0.06 -0.04 2.15 2.20 2bi0A1 GLN 326 HB3 -0.01 0.02 0.08 -0.04 2.02 2.07 2bi0A1 GLN 326 HG2 -0.17 -0.08 -0.24 -0.04 2.40 1.87 2bi0A1 GLN 326 HG3 -0.50 0.04 0.04 -0.04 2.39 1.93 2bi0A1 GLN 326 HE21 0.03 0.00 -0.03 -0.04 6.97 6.93 2bi0A1 GLN 326 HE22 0.04 -0.00 -0.03 -0.04 7.69 7.66 2bi0A1 VAL 327 H -0.23 0.70 0.49 -0.55 8.24 8.65 2bi0A1 VAL 327 HA -0.06 0.22 1.04 -0.75 4.13 4.57 2bi0A1 VAL 327 HB -0.08 0.11 -0.02 -0.04 2.12 2.09 2bi0A1 VAL 327 HG13 -0.05 0.01 -0.19 -0.04 0.97 0.70 2bi0A1 VAL 327 HG23 -0.12 -0.02 -0.21 -0.04 0.95 0.56 2bi0A1 LEU 328 H -0.17 0.35 0.34 -0.55 8.37 8.34 2bi0A1 LEU 328 HA -0.10 0.20 0.97 -0.75 4.35 4.68 2bi0A1 LEU 328 HB2 -0.11 -0.02 -0.31 -0.04 1.64 1.15 2bi0A1 LEU 328 HB3 -0.06 -0.05 -0.05 -0.04 1.64 1.43 2bi0A1 LEU 328 HG -0.16 0.02 -0.01 -0.04 1.64 1.46 2bi0A1 LEU 328 HD13 -0.36 -0.02 -0.20 -0.04 0.93 0.31 2bi0A1 LEU 328 HD23 -0.30 0.03 0.05 -0.04 0.89 0.62 2bi0A1 ASP 329 H -0.03 0.63 0.40 -0.55 8.40 8.85 2bi0A1 ASP 329 HA 0.07 0.29 1.00 -0.75 4.63 5.24 2bi0A1 ASP 329 HB2 -0.01 0.02 0.02 -0.04 2.71 2.70 2bi0A1 ASP 329 HB3 0.02 -0.07 0.23 -0.04 2.70 2.83 2bi0A1 TRP 330 H 0.25 0.64 0.40 -0.55 7.97 8.72 2bi0A1 TRP 330 HA 0.07 0.05 1.02 -0.75 4.62 5.01 2bi0A1 TRP 330 HB2 0.16 0.18 0.21 -0.04 3.23 3.74 2bi0A1 TRP 330 HB3 -0.01 -0.06 -0.08 -0.04 3.23 3.04 2bi0A1 TRP 330 HD1 -0.04 0.06 -0.05 -0.04 7.22 7.15 2bi0A1 TRP 330 HE1 -0.04 -0.02 -0.15 -0.04 10.20 9.96 2bi0A1 TRP 330 HE3 0.08 0.07 -0.09 -0.04 7.59 7.61 2bi0A1 TRP 330 HZ2 -0.37 -0.01 -0.31 -0.04 7.44 6.70 2bi0A1 TRP 330 HZ3 -0.71 -0.01 -0.13 -0.04 7.13 6.24 2bi0A1 TRP 330 HH2 -1.09 -0.03 -0.14 -0.04 7.19 5.89 2bi0A1 ARG 331 H 0.34 0.74 0.47 -0.55 8.46 9.46 2bi0A1 ARG 331 HA -0.34 0.15 0.92 -0.75 4.34 4.31 2bi0A1 ARG 331 HB2 -0.13 0.18 0.29 -0.04 1.90 2.20 2bi0A1 ARG 331 HB3 -0.04 -0.05 -0.11 -0.04 1.80 1.55 2bi0A1 ARG 331 HG2 0.03 -0.00 -0.05 -0.04 1.67 1.61 2bi0A1 ARG 331 HG3 0.12 -0.07 0.04 -0.04 1.67 1.71 2bi0A1 ARG 331 HD2 0.01 -0.02 -0.10 -0.04 3.22 3.07 2bi0A1 ARG 331 HD3 0.03 -0.06 -0.28 -0.04 3.22 2.87 2bi0A1 PHE 332 H -0.44 0.60 0.41 -0.55 8.34 8.37 2bi0A1 PHE 332 HA 0.13 0.15 0.84 -0.75 4.62 4.98 2bi0A1 PHE 332 HB2 0.17 0.15 0.27 -0.04 3.15 3.69 2bi0A1 PHE 332 HB3 0.06 -0.04 -0.03 -0.04 3.06 3.01 2bi0A1 PHE 332 HD2 -0.91 0.01 -0.27 -0.04 7.28 6.07 2bi0A1 PHE 332 HE2 -0.35 0.00 -0.21 -0.04 7.38 6.79 2bi0A1 PHE 332 HZ -0.09 0.03 -0.15 -0.04 7.32 7.06 2bi0A1 SER 333 H 0.24 0.47 0.42 -0.55 8.46 9.04 2bi0A1 SER 333 HA -0.15 0.34 1.14 -0.75 4.49 5.07 2bi0A1 SER 333 HB2 -0.03 0.08 0.09 -0.04 3.95 4.05 2bi0A1 SER 333 HB3 -0.01 -0.00 0.02 -0.04 3.93 3.89 2bi0A1 ALA 334 H -0.05 0.62 0.40 -0.55 8.40 8.82 2bi0A1 ALA 334 HA 0.06 0.14 1.17 -0.75 4.34 4.96 2bi0A1 ALA 334 HB3 0.09 0.01 -0.03 -0.04 1.41 1.43 2bi0A1 LEU 335 H -0.13 0.40 0.29 -0.55 8.37 8.38 2bi0A1 LEU 335 HA -0.24 0.23 0.89 -0.75 4.35 4.48 2bi0A1 LEU 335 HB2 -0.30 0.03 0.06 -0.04 1.64 1.38 2bi0A1 LEU 335 HB3 -0.34 -0.10 0.15 -0.04 1.64 1.31 2bi0A1 LEU 335 HG -0.77 -0.10 -0.26 -0.04 1.64 0.47 2bi0A1 LEU 335 HD13 -0.36 0.07 -0.01 -0.04 0.93 0.59 2bi0A1 LEU 335 HD23 -0.49 0.00 -0.09 -0.04 0.89 0.28 2bi0A1 GLN 336 H -0.24 0.74 0.38 -0.55 8.47 8.80 2bi0A1 GLN 336 HA -0.28 0.12 0.80 -0.75 4.36 4.24 2bi0A1 GLN 336 HB2 0.02 0.05 -0.14 -0.04 2.15 2.04 2bi0A1 GLN 336 HB3 0.20 -0.04 0.02 -0.04 2.02 2.15 2bi0A1 GLN 336 HG2 0.18 -0.23 -0.36 -0.04 2.40 1.95 2bi0A1 GLN 336 HG3 0.06 0.27 -0.13 -0.04 2.39 2.55 2bi0A1 GLN 336 HE21 0.09 0.15 -0.28 -0.04 6.97 6.88 2bi0A1 GLN 336 HE22 0.21 0.06 -0.12 -0.04 7.69 7.80 2bi0A1 PHE 337 H -0.52 0.26 0.02 -0.55 8.34 7.54 2bi0A1 PHE 337 HA -0.08 0.12 0.45 -0.75 4.62 4.36 2bi0A1 PHE 337 HB2 -0.40 0.10 0.09 -0.04 3.15 2.90 2bi0A1 PHE 337 HB3 -0.08 0.05 0.11 -0.04 3.06 3.10 2bi0A1 PHE 337 HD2 -0.60 0.05 -0.10 -0.04 7.28 6.58 2bi0A1 PHE 337 HE2 -0.05 0.07 -0.11 -0.04 7.38 7.25 2bi0A1 PHE 337 HZ 0.31 0.06 -0.18 -0.04 7.32 7.47