============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TRP 27 1.040 27.062 -5.376 15.925 -99.200 -91.000 TRP6 27 1.020 28.074 -6.546 14.143 -99.200 -91.000 PHE 111 1.000 -26.872 16.489 2.055 -99.200 -91.000 PHE 123 1.000 -15.402 7.190 -6.504 -99.200 -91.000 HIS 141 0.900 -36.034 10.923 -7.863 -99.200 -91.000 TYR 161 0.840 -18.026 4.265 -12.080 -99.200 -91.000 TYR 168 0.840 -12.116 14.756 -22.043 -99.200 -91.000 PHE 169 1.000 -14.378 17.818 -13.693 -99.200 -91.000 TRP 180 1.040 -2.878 9.950 -11.973 -99.200 -91.000 TRP6 180 1.020 -3.296 8.339 -13.646 -99.200 -91.000 HIS 207 0.900 24.018 5.435 -4.982 -99.200 -91.000 TYR 214 0.840 38.212 -9.044 -4.194 -99.200 -91.000 TYR 228 0.840 28.227 -10.485 10.189 -99.200 -91.000 PHE 241 1.000 30.847 -6.031 9.220 -99.200 -91.000 TRP 253 1.040 21.736 -8.842 0.002 -99.200 -91.000 TRP6 253 1.020 21.158 -7.096 -1.473 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1z87A15 ALA 2 HA -0.00 -0.05 0.22 -0.75 4.34 3.75 1z87A15 ALA 2 HB3 -0.01 -0.05 0.06 -0.04 1.41 1.38 1z87A15 SER 3 H -0.01 0.10 0.10 -0.55 8.46 8.11 1z87A15 SER 3 HA -0.00 0.20 0.89 -0.75 4.49 4.82 1z87A15 SER 3 HB2 -0.01 -0.03 -0.00 -0.04 3.95 3.87 1z87A15 SER 3 HB3 -0.01 0.00 -0.02 -0.04 3.93 3.87 1z87A15 GLY 4 H -0.01 0.18 0.13 -0.55 8.43 8.19 1z87A15 GLY 4 HA2 -0.01 0.08 0.55 -0.51 4.01 4.12 1z87A15 GLY 4 HA3 -0.00 0.08 0.27 -0.51 4.01 3.84 1z87A15 ARG 5 H -0.01 0.25 0.15 -0.55 8.46 8.30 1z87A15 ARG 5 HA -0.01 0.16 0.97 -0.75 4.34 4.71 1z87A15 ARG 5 HB2 -0.01 0.04 -0.02 -0.04 1.90 1.87 1z87A15 ARG 5 HB3 -0.01 -0.02 -0.08 -0.04 1.80 1.65 1z87A15 ARG 5 HG2 -0.01 0.03 0.06 -0.04 1.67 1.71 1z87A15 ARG 5 HG3 -0.02 0.03 -0.09 -0.04 1.67 1.55 1z87A15 ARG 5 HD2 -0.01 -0.05 -0.08 -0.04 3.22 3.04 1z87A15 ARG 5 HD3 -0.02 0.03 0.03 -0.04 3.22 3.22 1z87A15 ARG 6 H -0.00 0.16 0.11 -0.55 8.46 8.17 1z87A15 ARG 6 HA 0.00 0.15 0.81 -0.75 4.34 4.55 1z87A15 ARG 6 HB2 0.00 -0.00 0.18 -0.04 1.90 2.04 1z87A15 ARG 6 HB3 0.01 0.00 0.01 -0.04 1.80 1.78 1z87A15 ARG 6 HG2 0.00 -0.06 -0.15 -0.04 1.67 1.43 1z87A15 ARG 6 HG3 0.00 0.00 0.00 -0.04 1.67 1.64 1z87A15 ARG 6 HD2 0.01 0.05 -0.09 -0.04 3.22 3.14 1z87A15 ARG 6 HD3 0.00 0.01 -0.09 -0.04 3.22 3.11 1z87A15 ALA 7 H 0.01 0.29 0.10 -0.55 8.40 8.26 1z87A15 ALA 7 HA 0.01 0.06 0.42 -0.75 4.34 4.08 1z87A15 ALA 7 HB3 -0.00 0.06 -0.08 -0.04 1.41 1.34 1z87A15 PRO 8 HA 0.06 0.19 0.54 -0.51 4.44 4.71 1z87A15 PRO 8 HB2 0.06 0.01 -0.15 -0.04 2.28 2.16 1z87A15 PRO 8 HB3 0.05 -0.06 -0.02 -0.04 2.02 1.96 1z87A15 PRO 8 HG2 0.03 0.06 0.09 -0.04 2.03 2.16 1z87A15 PRO 8 HG3 0.03 0.02 0.03 -0.04 2.03 2.07 1z87A15 PRO 8 HD2 0.01 0.13 0.18 -0.04 3.68 3.96 1z87A15 PRO 8 HD3 0.02 0.09 0.11 -0.04 3.65 3.83 1z87A15 ARG 9 H 0.09 0.75 0.37 -0.55 8.46 9.11 1z87A15 ARG 9 HA 0.02 0.07 0.60 -0.75 4.34 4.28 1z87A15 ARG 9 HB2 0.01 0.15 0.24 -0.04 1.90 2.26 1z87A15 ARG 9 HB3 0.11 -0.09 0.10 -0.04 1.80 1.88 1z87A15 ARG 9 HG2 -0.38 -0.00 -0.05 -0.04 1.67 1.20 1z87A15 ARG 9 HG3 -0.14 0.01 0.03 -0.04 1.67 1.53 1z87A15 ARG 9 HD2 -0.16 0.05 0.02 -0.04 3.22 3.09 1z87A15 ARG 9 HD3 -0.45 -0.03 -0.04 -0.04 3.22 2.66 1z87A15 THR 10 H 0.09 0.20 0.26 -0.55 8.28 8.28 1z87A15 THR 10 HA 0.27 0.45 1.14 -0.75 4.39 5.49 1z87A15 THR 10 HB 0.09 0.01 -0.04 -0.04 4.32 4.33 1z87A15 THR 10 HG23 0.06 -0.01 -0.13 -0.04 1.22 1.09 1z87A15 GLY 11 H 0.23 0.51 0.31 -0.55 8.43 8.92 1z87A15 GLY 11 HA2 0.20 0.10 0.57 -0.51 4.01 4.37 1z87A15 GLY 11 HA3 0.59 0.01 0.29 -0.51 4.01 4.38 1z87A15 LEU 12 H 0.11 0.15 0.17 -0.55 8.37 8.25 1z87A15 LEU 12 HA 0.01 0.06 0.60 -0.75 4.35 4.27 1z87A15 LEU 12 HB2 0.04 -0.00 0.18 -0.04 1.64 1.81 1z87A15 LEU 12 HB3 0.03 -0.01 0.05 -0.04 1.64 1.66 1z87A15 LEU 12 HG 0.01 -0.01 -0.16 -0.04 1.64 1.44 1z87A15 LEU 12 HD13 0.02 0.01 -0.03 -0.04 0.93 0.88 1z87A15 LEU 12 HD23 0.01 0.01 -0.07 -0.04 0.89 0.80 1z87A15 LEU 13 H -0.05 0.83 0.46 -0.55 8.37 9.07 1z87A15 LEU 13 HA -0.05 0.26 1.00 -0.75 4.35 4.81 1z87A15 LEU 13 HB2 -0.18 0.04 -0.01 -0.04 1.64 1.46 1z87A15 LEU 13 HB3 -0.18 -0.08 -0.04 -0.04 1.64 1.30 1z87A15 LEU 13 HG -0.27 0.10 -0.21 -0.04 1.64 1.22 1z87A15 LEU 13 HD13 -0.76 -0.02 -0.16 -0.04 0.93 -0.05 1z87A15 LEU 13 HD23 -0.07 0.04 -0.30 -0.04 0.89 0.53 1z87A15 GLU 14 H -0.06 0.42 0.37 -0.55 8.60 8.79 1z87A15 GLU 14 HA 0.06 0.25 1.10 -0.75 4.29 4.95 1z87A15 GLU 14 HB2 0.01 0.05 0.19 -0.04 2.09 2.31 1z87A15 GLU 14 HB3 0.25 -0.02 0.01 -0.04 1.99 2.20 1z87A15 GLU 14 HG2 0.14 0.02 -0.07 -0.04 2.34 2.39 1z87A15 GLU 14 HG3 0.03 -0.01 -0.12 -0.04 2.34 2.21 1z87A15 LEU 15 H 0.09 0.61 0.43 -0.55 8.37 8.96 1z87A15 LEU 15 HA -0.18 0.30 1.09 -0.75 4.35 4.80 1z87A15 LEU 15 HB2 -0.05 -0.03 -0.04 -0.04 1.64 1.48 1z87A15 LEU 15 HB3 -0.05 0.03 0.01 -0.04 1.64 1.58 1z87A15 LEU 15 HG -0.14 0.34 0.32 -0.04 1.64 2.12 1z87A15 LEU 15 HD13 -0.08 -0.05 -0.13 -0.04 0.93 0.63 1z87A15 LEU 15 HD23 -0.03 0.02 0.14 -0.04 0.89 0.98 1z87A15 ARG 16 H -0.14 0.20 0.27 -0.55 8.46 8.23 1z87A15 ARG 16 HA -0.76 0.13 0.91 -0.75 4.34 3.86 1z87A15 ARG 16 HB2 -0.13 0.01 0.17 -0.04 1.90 1.90 1z87A15 ARG 16 HB3 -0.45 0.15 0.00 -0.04 1.80 1.46 1z87A15 ARG 16 HG2 -2.87 -0.04 -0.03 -0.04 1.67 -1.31 1z87A15 ARG 16 HG3 -1.29 -0.00 -0.07 -0.04 1.67 0.26 1z87A15 ARG 16 HD2 -0.56 0.01 -0.01 -0.04 3.22 2.61 1z87A15 ARG 16 HD3 -0.59 -0.03 -0.04 -0.04 3.22 2.52 1z87A15 CYS 17 H -0.34 0.30 0.22 -0.55 8.50 8.12 1z87A15 CYS 17 HA -0.09 0.04 0.50 -0.75 4.58 4.28 1z87A15 CYS 17 HB2 -0.05 -0.05 0.13 -0.04 2.97 2.96 1z87A15 CYS 17 HB3 -0.06 0.13 0.14 -0.04 2.97 3.14 1z87A15 GLY 18 H -0.10 0.60 0.03 -0.55 8.43 8.41 1z87A15 GLY 18 HA2 -0.06 0.02 0.30 -0.51 4.01 3.76 1z87A15 GLY 18 HA3 -0.06 0.07 0.51 -0.51 4.01 4.01 1z87A15 ALA 19 H -0.06 0.17 0.04 -0.55 8.40 8.00 1z87A15 ALA 19 HA -0.10 0.08 0.54 -0.75 4.34 4.10 1z87A15 ALA 19 HB3 -0.09 -0.01 -0.06 -0.04 1.41 1.22 1z87A15 GLY 20 H -0.06 0.26 0.10 -0.55 8.43 8.18 1z87A15 GLY 20 HA2 -0.04 -0.00 0.31 -0.51 4.01 3.76 1z87A15 GLY 20 HA3 -0.04 0.14 0.62 -0.51 4.01 4.22 1z87A15 SER 21 H -0.03 0.07 0.13 -0.55 8.46 8.09 1z87A15 SER 21 HA -0.02 0.10 0.37 -0.75 4.49 4.19 1z87A15 SER 21 HB2 -0.02 -0.02 0.13 -0.04 3.95 4.01 1z87A15 SER 21 HB3 -0.02 0.01 0.02 -0.04 3.93 3.91 1z87A15 GLY 22 H -0.01 0.20 0.05 -0.55 8.43 8.13 1z87A15 GLY 22 HA2 -0.01 -0.02 0.32 -0.51 4.01 3.80 1z87A15 GLY 22 HA3 -0.01 0.15 0.78 -0.51 4.01 4.41 1z87A15 ALA 23 H -0.01 0.17 -0.04 -0.55 8.40 7.97 1z87A15 ALA 23 HA 0.00 0.08 0.35 -0.75 4.34 4.02 1z87A15 ALA 23 HB3 0.01 0.01 0.00 -0.04 1.41 1.39 1z87A15 GLY 24 H 0.02 0.08 0.16 -0.55 8.43 8.14 1z87A15 GLY 24 HA2 0.01 0.21 0.71 -0.51 4.01 4.43 1z87A15 GLY 24 HA3 0.01 0.00 0.34 -0.51 4.01 3.85 1z87A15 GLY 25 H 0.03 -0.04 -0.02 -0.55 8.43 7.86 1z87A15 GLY 25 HA2 0.03 0.23 0.79 -0.51 4.01 4.54 1z87A15 GLY 25 HA3 0.05 -0.01 0.31 -0.51 4.01 3.84 1z87A15 GLU 26 H 0.08 0.19 0.20 -0.55 8.60 8.52 1z87A15 GLU 26 HA 0.05 0.19 0.53 -0.75 4.29 4.31 1z87A15 GLU 26 HB2 0.29 -0.01 -0.07 -0.04 2.09 2.26 1z87A15 GLU 26 HB3 0.41 -0.12 0.11 -0.04 1.99 2.35 1z87A15 GLU 26 HG2 0.11 0.23 0.06 -0.04 2.34 2.71 1z87A15 GLU 26 HG3 0.14 -0.09 -0.53 -0.04 2.34 1.82 1z87A15 ARG 27 H 0.06 0.15 0.02 -0.55 8.46 8.14 1z87A15 ARG 27 HA 0.22 0.04 0.47 -0.75 4.34 4.32 1z87A15 ARG 27 HB2 0.04 0.02 -0.39 -0.04 1.90 1.53 1z87A15 ARG 27 HB3 0.01 -0.02 0.10 -0.04 1.80 1.85 1z87A15 ARG 27 HG2 0.05 0.01 -0.00 -0.04 1.67 1.69 1z87A15 ARG 27 HG3 0.09 0.01 0.17 -0.04 1.67 1.89 1z87A15 ARG 27 HD2 0.05 0.01 0.13 -0.04 3.22 3.36 1z87A15 ARG 27 HD3 0.03 -0.07 0.04 -0.04 3.22 3.18 1z87A15 TRP 28 H 0.51 0.15 0.18 -0.55 7.97 8.25 1z87A15 TRP 28 HA 0.02 0.20 1.09 -0.75 4.62 5.18 1z87A15 TRP 28 HB2 0.03 -0.03 0.05 -0.04 3.23 3.24 1z87A15 TRP 28 HB3 0.02 0.18 0.15 -0.04 3.23 3.54 1z87A15 TRP 28 HD1 0.03 -0.14 -0.03 -0.04 7.22 7.04 1z87A15 TRP 28 HE1 0.03 -0.01 -0.05 -0.04 10.20 10.13 1z87A15 TRP 28 HE3 0.05 0.06 -0.28 -0.04 7.59 7.37 1z87A15 TRP 28 HZ2 0.01 -0.00 -0.06 -0.04 7.44 7.35 1z87A15 TRP 28 HZ3 0.04 0.03 -0.16 -0.04 7.13 6.99 1z87A15 TRP 28 HH2 -0.05 0.00 -0.10 -0.04 7.19 7.00 1z87A15 GLN 29 H 0.17 0.50 0.30 -0.55 8.47 8.90 1z87A15 GLN 29 HA 0.09 0.18 0.83 -0.75 4.36 4.70 1z87A15 GLN 29 HB2 0.03 -0.03 -0.11 -0.04 2.15 2.00 1z87A15 GLN 29 HB3 0.03 0.06 0.04 -0.04 2.02 2.12 1z87A15 GLN 29 HG2 0.03 0.03 -0.13 -0.04 2.40 2.29 1z87A15 GLN 29 HG3 0.07 0.14 -0.76 -0.04 2.39 1.80 1z87A15 GLN 29 HE21 -0.02 -0.02 -0.13 -0.04 6.97 6.76 1z87A15 GLN 29 HE22 0.00 0.02 -0.14 -0.04 7.69 7.52 1z87A15 ARG 30 H 0.04 0.19 0.14 -0.55 8.46 8.27 1z87A15 ARG 30 HA 0.03 0.17 0.83 -0.75 4.34 4.61 1z87A15 ARG 30 HB2 0.01 0.02 -0.01 -0.04 1.90 1.88 1z87A15 ARG 30 HB3 0.02 -0.03 0.06 -0.04 1.80 1.81 1z87A15 ARG 30 HG2 0.02 -0.05 0.19 -0.04 1.67 1.79 1z87A15 ARG 30 HG3 0.01 0.04 0.02 -0.04 1.67 1.69 1z87A15 ARG 30 HD2 0.01 0.04 0.02 -0.04 3.22 3.25 1z87A15 ARG 30 HD3 0.01 -0.03 0.02 -0.04 3.22 3.18 1z87A15 VAL 31 H -0.01 0.91 0.49 -0.55 8.24 9.08 1z87A15 VAL 31 HA -0.02 0.07 1.12 -0.75 4.13 4.54 1z87A15 VAL 31 HB -0.05 0.09 -0.03 -0.04 2.12 2.09 1z87A15 VAL 31 HG13 -0.02 -0.04 -0.33 -0.04 0.97 0.53 1z87A15 VAL 31 HG23 -0.07 -0.03 -0.10 -0.04 0.95 0.72 1z87A15 LEU 32 H -0.03 0.13 0.34 -0.55 8.37 8.26 1z87A15 LEU 32 HA -0.03 0.15 0.88 -0.75 4.35 4.59 1z87A15 LEU 32 HB2 -0.00 -0.02 0.06 -0.04 1.64 1.64 1z87A15 LEU 32 HB3 -0.02 -0.09 0.13 -0.04 1.64 1.62 1z87A15 LEU 32 HG 0.02 0.12 -0.08 -0.04 1.64 1.66 1z87A15 LEU 32 HD13 0.04 -0.03 -0.21 -0.04 0.93 0.69 1z87A15 LEU 32 HD23 0.01 0.01 -0.12 -0.04 0.89 0.74 1z87A15 LEU 33 H -0.11 0.75 0.46 -0.55 8.37 8.93 1z87A15 LEU 33 HA -0.17 0.12 0.99 -0.75 4.35 4.54 1z87A15 LEU 33 HB2 -0.45 -0.01 0.04 -0.04 1.64 1.18 1z87A15 LEU 33 HB3 -0.85 -0.01 -0.01 -0.04 1.64 0.74 1z87A15 LEU 33 HG -0.26 0.06 0.04 -0.04 1.64 1.43 1z87A15 LEU 33 HD13 -0.26 -0.02 -0.13 -0.04 0.93 0.48 1z87A15 LEU 33 HD23 -0.71 -0.01 -0.15 -0.04 0.89 -0.03 1z87A15 SER 34 H -0.11 0.55 0.37 -0.55 8.46 8.72 1z87A15 SER 34 HA 0.11 0.40 0.99 -0.75 4.49 5.24 1z87A15 SER 34 HB2 -0.07 0.10 0.01 -0.04 3.95 3.95 1z87A15 SER 34 HB3 -0.00 -0.13 -0.06 -0.04 3.93 3.69 1z87A15 LEU 35 H 0.18 0.53 0.16 -0.55 8.37 8.69 1z87A15 LEU 35 HA 0.11 0.08 0.91 -0.75 4.35 4.70 1z87A15 LEU 35 HB2 0.21 -0.01 -0.17 -0.04 1.64 1.63 1z87A15 LEU 35 HB3 0.36 0.03 0.12 -0.04 1.64 2.10 1z87A15 LEU 35 HG 0.11 0.02 -0.34 -0.04 1.64 1.39 1z87A15 LEU 35 HD13 0.12 -0.01 -0.15 -0.04 0.93 0.85 1z87A15 LEU 35 HD23 0.15 0.00 -0.14 -0.04 0.89 0.86 1z87A15 ALA 36 H 0.10 0.46 0.18 -0.55 8.40 8.59 1z87A15 ALA 36 HA 0.06 0.14 0.76 -0.75 4.34 4.55 1z87A15 ALA 36 HB3 0.06 0.03 0.09 -0.04 1.41 1.56 1z87A15 GLU 37 H 0.05 -0.01 0.10 -0.55 8.60 8.19 1z87A15 GLU 37 HA 0.03 0.29 0.79 -0.75 4.29 4.65 1z87A15 GLU 37 HB2 0.02 -0.16 0.12 -0.04 2.09 2.02 1z87A15 GLU 37 HB3 0.02 0.10 0.03 -0.04 1.99 2.10 1z87A15 GLU 37 HG2 0.02 0.29 -0.34 -0.04 2.34 2.28 1z87A15 GLU 37 HG3 0.02 -0.07 -0.12 -0.04 2.34 2.13 1z87A15 ASP 38 H 0.02 0.10 0.11 -0.55 8.40 8.08 1z87A15 ASP 38 HA 0.02 0.33 0.83 -0.75 4.63 5.06 1z87A15 ASP 38 HB2 -0.00 0.05 0.22 -0.04 2.71 2.94 1z87A15 ASP 38 HB3 0.00 0.06 0.04 -0.04 2.70 2.77 1z87A15 ALA 39 H 0.05 0.05 -0.41 -0.55 8.40 7.54 1z87A15 ALA 39 HA 0.02 0.28 0.53 -0.75 4.34 4.42 1z87A15 ALA 39 HB3 -0.11 -0.00 -0.10 -0.04 1.41 1.16 1z87A15 LEU 40 H 0.15 0.49 0.22 -0.55 8.37 8.68 1z87A15 LEU 40 HA 0.11 0.17 1.12 -0.75 4.35 4.99 1z87A15 LEU 40 HB2 0.02 0.20 0.14 -0.04 1.64 1.96 1z87A15 LEU 40 HB3 0.07 -0.04 -0.03 -0.04 1.64 1.60 1z87A15 LEU 40 HG 0.07 -0.06 0.24 -0.04 1.64 1.85 1z87A15 LEU 40 HD13 -0.01 0.00 -0.09 -0.04 0.93 0.78 1z87A15 LEU 40 HD23 0.04 -0.02 -0.06 -0.04 0.89 0.80 1z87A15 THR 41 H -0.08 0.26 0.18 -0.55 8.28 8.08 1z87A15 THR 41 HA -0.25 0.28 1.02 -0.75 4.39 4.69 1z87A15 THR 41 HB -1.99 -0.06 -0.10 -0.04 4.32 2.13 1z87A15 THR 41 HG23 -0.22 0.01 -0.11 -0.04 1.22 0.86 1z87A15 VAL 42 H -0.13 0.13 0.25 -0.55 8.24 7.94 1z87A15 VAL 42 HA -0.11 0.29 1.11 -0.75 4.13 4.68 1z87A15 VAL 42 HB -0.06 -0.10 0.03 -0.04 2.12 1.94 1z87A15 VAL 42 HG13 -0.10 0.01 -0.07 -0.04 0.97 0.77 1z87A15 VAL 42 HG23 -0.07 0.03 -0.16 -0.04 0.95 0.71 1z87A15 SER 43 H -0.07 0.68 0.34 -0.55 8.46 8.86 1z87A15 SER 43 HA -0.04 0.12 0.68 -0.75 4.49 4.50 1z87A15 SER 43 HB2 -0.04 0.15 0.08 -0.04 3.95 4.10 1z87A15 SER 43 HB3 -0.05 0.02 -0.05 -0.04 3.93 3.82 1z87A15 PRO 44 HA -0.02 0.11 0.57 -0.51 4.44 4.59 1z87A15 PRO 44 HB2 -0.01 0.14 0.25 -0.04 2.28 2.62 1z87A15 PRO 44 HB3 -0.01 -0.09 0.09 -0.04 2.02 1.96 1z87A15 PRO 44 HG2 -0.01 0.17 -0.11 -0.04 2.03 2.04 1z87A15 PRO 44 HG3 -0.01 -0.05 -0.09 -0.04 2.03 1.83 1z87A15 PRO 44 HD2 -0.02 0.23 0.03 -0.04 3.68 3.87 1z87A15 PRO 44 HD3 -0.02 0.03 -0.02 -0.04 3.65 3.59 1z87A15 ALA 45 H -0.02 0.02 -0.58 -0.55 8.40 7.28 1z87A15 ALA 45 HA -0.01 -0.04 0.32 -0.75 4.34 3.86 1z87A15 ALA 45 HB3 0.00 0.06 -0.09 -0.04 1.41 1.35 1z87A15 ASP 46 H -0.01 0.15 0.01 -0.55 8.40 8.01 1z87A15 ASP 46 HA -0.00 0.12 0.66 -0.75 4.63 4.66 1z87A15 ASP 46 HB2 -0.01 -0.10 -0.23 -0.04 2.71 2.33 1z87A15 ASP 46 HB3 -0.00 -0.01 -0.09 -0.04 2.70 2.55 1z87A15 GLY 47 H 0.00 0.12 0.03 -0.55 8.43 8.03 1z87A15 GLY 47 HA2 0.00 -0.06 0.36 -0.51 4.01 3.80 1z87A15 GLY 47 HA3 -0.00 0.25 0.86 -0.51 4.01 4.61 1z87A15 GLU 48 H -0.00 0.07 0.13 -0.55 8.60 8.26 1z87A15 GLU 48 HA 0.00 0.11 0.55 -0.75 4.29 4.20 1z87A15 GLU 48 HB2 -0.00 0.03 0.06 -0.04 2.09 2.14 1z87A15 GLU 48 HB3 -0.00 0.00 0.03 -0.04 1.99 1.98 1z87A15 GLU 48 HG2 0.00 0.02 0.02 -0.04 2.34 2.34 1z87A15 GLU 48 HG3 0.00 -0.09 -0.01 -0.04 2.34 2.20 1z87A15 PRO 49 HA -0.00 -0.01 0.35 -0.51 4.44 4.26 1z87A15 PRO 49 HB2 -0.00 0.04 -0.04 -0.04 2.28 2.24 1z87A15 PRO 49 HB3 -0.01 0.02 0.06 -0.04 2.02 2.06 1z87A15 PRO 49 HG2 -0.00 0.04 0.06 -0.04 2.03 2.08 1z87A15 PRO 49 HG3 -0.01 0.07 0.08 -0.04 2.03 2.12 1z87A15 PRO 49 HD2 -0.00 -0.00 0.11 -0.04 3.68 3.75 1z87A15 PRO 49 HD3 -0.00 0.08 0.19 -0.04 3.65 3.88 1z87A15 GLY 50 H -0.00 0.05 0.17 -0.55 8.43 8.10 1z87A15 GLY 50 HA2 0.00 -0.01 0.32 -0.51 4.01 3.81 1z87A15 GLY 50 HA3 0.01 0.07 0.55 -0.51 4.01 4.13 1z87A15 PRO 51 HA 0.01 0.10 0.44 -0.51 4.44 4.48 1z87A15 PRO 51 HB2 -0.00 -0.01 -0.07 -0.04 2.28 2.16 1z87A15 PRO 51 HB3 0.00 0.11 0.04 -0.04 2.02 2.14 1z87A15 PRO 51 HG2 -0.00 -0.00 0.08 -0.04 2.03 2.07 1z87A15 PRO 51 HG3 -0.00 0.04 0.05 -0.04 2.03 2.07 1z87A15 PRO 51 HD2 -0.00 0.03 0.24 -0.04 3.68 3.90 1z87A15 PRO 51 HD3 -0.00 0.06 0.18 -0.04 3.65 3.85 1z87A15 GLU 52 H 0.01 0.15 0.00 -0.55 8.60 8.21 1z87A15 GLU 52 HA -0.00 0.06 0.48 -0.75 4.29 4.08 1z87A15 GLU 52 HB2 0.01 0.06 -0.24 -0.04 2.09 1.88 1z87A15 GLU 52 HB3 0.01 -0.09 0.00 -0.04 1.99 1.87 1z87A15 GLU 52 HG2 -0.01 -0.12 0.06 -0.04 2.34 2.23 1z87A15 GLU 52 HG3 -0.00 0.25 0.27 -0.04 2.34 2.81 1z87A15 PRO 53 HA 0.01 0.06 0.48 -0.51 4.44 4.49 1z87A15 PRO 53 HB2 0.01 0.05 0.14 -0.04 2.28 2.45 1z87A15 PRO 53 HB3 0.02 -0.03 0.14 -0.04 2.02 2.11 1z87A15 PRO 53 HG2 0.02 0.09 0.15 -0.04 2.03 2.25 1z87A15 PRO 53 HG3 0.03 -0.06 0.14 -0.04 2.03 2.10 1z87A15 PRO 53 HD2 0.02 0.07 0.19 -0.04 3.68 3.92 1z87A15 PRO 53 HD3 0.03 0.11 0.16 -0.04 3.65 3.90 1z87A15 GLU 54 H 0.00 0.32 0.24 -0.55 8.60 8.62 1z87A15 GLU 54 HA 0.00 0.11 0.43 -0.75 4.29 4.08 1z87A15 GLU 54 HB2 -0.00 0.01 0.12 -0.04 2.09 2.19 1z87A15 GLU 54 HB3 -0.00 -0.02 0.09 -0.04 1.99 2.02 1z87A15 GLU 54 HG2 -0.00 0.16 -0.12 -0.04 2.34 2.34 1z87A15 GLU 54 HG3 0.00 -0.02 -0.03 -0.04 2.34 2.25 1z87A15 PRO 55 HA 0.00 -0.05 0.48 -0.51 4.44 4.36 1z87A15 PRO 55 HB2 0.00 -0.01 0.05 -0.04 2.28 2.27 1z87A15 PRO 55 HB3 0.00 -0.00 0.11 -0.04 2.02 2.09 1z87A15 PRO 55 HG2 0.00 0.02 0.16 -0.04 2.03 2.17 1z87A15 PRO 55 HG3 0.00 0.02 0.12 -0.04 2.03 2.13 1z87A15 PRO 55 HD2 0.00 0.03 0.22 -0.04 3.68 3.89 1z87A15 PRO 55 HD3 0.00 0.38 0.37 -0.04 3.65 4.36 1z87A15 ALA 56 H -0.00 0.05 0.21 -0.55 8.40 8.11 1z87A15 ALA 56 HA -0.00 -0.05 0.36 -0.75 4.34 3.88 1z87A15 ALA 56 HB3 -0.00 0.03 0.03 -0.04 1.41 1.43 1z87A15 GLN 57 H -0.00 0.00 0.14 -0.55 8.47 8.07 1z87A15 GLN 57 HA -0.00 0.12 0.53 -0.75 4.36 4.25 1z87A15 GLN 57 HB2 -0.00 -0.03 0.12 -0.04 2.15 2.20 1z87A15 GLN 57 HB3 -0.00 0.07 0.15 -0.04 2.02 2.20 1z87A15 GLN 57 HG2 -0.00 0.00 0.06 -0.04 2.40 2.42 1z87A15 GLN 57 HG3 -0.00 0.04 0.01 -0.04 2.39 2.40 1z87A15 GLN 57 HE21 -0.00 0.04 0.04 -0.04 6.97 7.00 1z87A15 GLN 57 HE22 -0.00 -0.01 0.03 -0.04 7.69 7.66 1z87A15 LEU 58 H -0.00 0.06 0.14 -0.55 8.37 8.02 1z87A15 LEU 58 HA -0.00 0.27 0.84 -0.75 4.35 4.70 1z87A15 LEU 58 HB2 -0.00 -0.01 0.05 -0.04 1.64 1.64 1z87A15 LEU 58 HB3 -0.00 0.08 -0.02 -0.04 1.64 1.66 1z87A15 LEU 58 HG -0.00 -0.09 0.01 -0.04 1.64 1.52 1z87A15 LEU 58 HD13 -0.00 -0.00 -0.23 -0.04 0.93 0.65 1z87A15 LEU 58 HD23 -0.00 0.01 -0.02 -0.04 0.89 0.84 1z87A15 ASN 59 H -0.00 0.18 0.10 -0.55 8.53 8.25 1z87A15 ASN 59 HA -0.00 0.11 0.68 -0.75 4.76 4.80 1z87A15 ASN 59 HB2 0.00 0.01 0.10 -0.04 2.88 2.95 1z87A15 ASN 59 HB3 0.00 -0.01 0.18 -0.04 2.79 2.92 1z87A15 ASN 59 HD21 0.00 -0.01 -0.01 -0.04 7.03 6.97 1z87A15 ASN 59 HD22 0.00 -0.00 -0.01 -0.04 7.74 7.68 1z87A15 GLY 60 H -0.00 0.23 0.19 -0.55 8.43 8.30 1z87A15 GLY 60 HA2 -0.00 0.09 0.71 -0.51 4.01 4.30 1z87A15 GLY 60 HA3 -0.00 0.03 0.28 -0.51 4.01 3.81 1z87A15 ALA 61 H -0.00 0.03 0.15 -0.55 8.40 8.03 1z87A15 ALA 61 HA -0.00 0.05 0.42 -0.75 4.34 4.05 1z87A15 ALA 61 HB3 -0.00 0.06 -0.05 -0.04 1.41 1.38 1z87A15 ALA 62 H -0.00 0.01 0.11 -0.55 8.40 7.98 1z87A15 ALA 62 HA -0.00 -0.01 0.40 -0.75 4.34 3.97 1z87A15 ALA 62 HB3 -0.00 0.04 -0.15 -0.04 1.41 1.26 1z87A15 GLU 63 H -0.00 0.11 0.06 -0.55 8.60 8.23 1z87A15 GLU 63 HA -0.00 0.18 0.78 -0.75 4.29 4.50 1z87A15 GLU 63 HB2 -0.00 -0.07 0.15 -0.04 2.09 2.12 1z87A15 GLU 63 HB3 -0.00 0.13 0.08 -0.04 1.99 2.16 1z87A15 GLU 63 HG2 -0.00 0.04 0.00 -0.04 2.34 2.34 1z87A15 GLU 63 HG3 -0.00 -0.07 -0.07 -0.04 2.34 2.15 1z87A15 PRO 64 HA -0.00 0.08 0.30 -0.51 4.44 4.31 1z87A15 PRO 64 HB2 -0.00 -0.08 0.13 -0.04 2.28 2.28 1z87A15 PRO 64 HB3 -0.00 0.02 0.09 -0.04 2.02 2.09 1z87A15 PRO 64 HG2 -0.00 -0.01 -0.03 -0.04 2.03 1.95 1z87A15 PRO 64 HG3 -0.00 0.03 0.06 -0.04 2.03 2.08 1z87A15 PRO 64 HD2 -0.00 0.03 0.24 -0.04 3.68 3.91 1z87A15 PRO 64 HD3 -0.00 0.41 0.12 -0.04 3.65 4.14 1z87A15 GLY 65 H -0.00 0.06 0.12 -0.55 8.43 8.06 1z87A15 GLY 65 HA2 -0.00 -0.02 0.32 -0.51 4.01 3.80 1z87A15 GLY 65 HA3 -0.00 0.11 0.64 -0.51 4.01 4.24 1z87A15 ALA 66 H -0.00 0.15 0.17 -0.55 8.40 8.17 1z87A15 ALA 66 HA -0.00 0.06 0.74 -0.75 4.34 4.39 1z87A15 ALA 66 HB3 -0.00 -0.01 -0.06 -0.04 1.41 1.30 1z87A15 ALA 67 H -0.00 0.10 -0.01 -0.55 8.40 7.94 1z87A15 ALA 67 HA -0.00 0.03 0.39 -0.75 4.34 4.01 1z87A15 ALA 67 HB3 -0.00 0.05 -0.04 -0.04 1.41 1.38 1z87A15 PRO 68 HA -0.00 -0.02 0.44 -0.51 4.44 4.34 1z87A15 PRO 68 HB2 -0.01 0.08 0.03 -0.04 2.28 2.34 1z87A15 PRO 68 HB3 -0.01 -0.09 0.12 -0.04 2.02 2.00 1z87A15 PRO 68 HG2 -0.01 0.09 0.08 -0.04 2.03 2.15 1z87A15 PRO 68 HG3 -0.01 0.20 0.09 -0.04 2.03 2.27 1z87A15 PRO 68 HD2 -0.01 0.12 0.20 -0.04 3.68 3.95 1z87A15 PRO 68 HD3 -0.00 0.01 0.10 -0.04 3.65 3.71 1z87A15 PRO 69 HA -0.00 0.10 0.32 -0.51 4.44 4.35 1z87A15 PRO 69 HB2 -0.00 -0.11 0.01 -0.04 2.28 2.14 1z87A15 PRO 69 HB3 -0.00 0.01 0.16 -0.04 2.02 2.14 1z87A15 PRO 69 HG2 -0.00 0.02 0.07 -0.04 2.03 2.07 1z87A15 PRO 69 HG3 -0.00 0.07 0.10 -0.04 2.03 2.16 1z87A15 PRO 69 HD2 -0.00 0.09 0.16 -0.04 3.68 3.89 1z87A15 PRO 69 HD3 -0.00 0.12 0.23 -0.04 3.65 3.95 1z87A15 GLN 70 H -0.00 0.09 0.09 -0.55 8.47 8.10 1z87A15 GLN 70 HA -0.01 0.29 0.85 -0.75 4.36 4.75 1z87A15 GLN 70 HB2 -0.00 -0.05 0.11 -0.04 2.15 2.16 1z87A15 GLN 70 HB3 -0.01 0.03 0.20 -0.04 2.02 2.21 1z87A15 GLN 70 HG2 -0.00 0.07 -0.53 -0.04 2.40 1.90 1z87A15 GLN 70 HG3 -0.00 -0.05 -0.05 -0.04 2.39 2.25 1z87A15 GLN 70 HE21 -0.01 0.21 0.01 -0.04 6.97 7.14 1z87A15 GLN 70 HE22 -0.01 -0.04 0.01 -0.04 7.69 7.62 1z87A15 LEU 71 H -0.01 0.08 -0.21 -0.55 8.37 7.69 1z87A15 LEU 71 HA -0.01 0.28 0.78 -0.75 4.35 4.65 1z87A15 LEU 71 HB2 -0.00 -0.05 0.19 -0.04 1.64 1.73 1z87A15 LEU 71 HB3 -0.00 -0.01 0.15 -0.04 1.64 1.74 1z87A15 LEU 71 HG -0.00 0.30 -0.39 -0.04 1.64 1.50 1z87A15 LEU 71 HD13 -0.00 -0.05 -0.08 -0.04 0.93 0.76 1z87A15 LEU 71 HD23 -0.00 0.00 -0.00 -0.04 0.89 0.85 1z87A15 PRO 72 HA -0.01 0.03 0.39 -0.51 4.44 4.35 1z87A15 PRO 72 HB2 -0.01 0.04 0.21 -0.04 2.28 2.48 1z87A15 PRO 72 HB3 -0.01 0.07 0.10 -0.04 2.02 2.14 1z87A15 PRO 72 HG2 -0.01 0.10 0.01 -0.04 2.03 2.08 1z87A15 PRO 72 HG3 -0.01 0.09 -0.04 -0.04 2.03 2.03 1z87A15 PRO 72 HD2 -0.01 0.16 -0.07 -0.04 3.68 3.72 1z87A15 PRO 72 HD3 -0.01 0.05 -0.47 -0.04 3.65 3.18 1z87A15 GLU 73 H -0.00 0.64 0.22 -0.55 8.60 8.91 1z87A15 GLU 73 HA -0.00 0.27 0.82 -0.75 4.29 4.63 1z87A15 GLU 73 HB2 -0.00 0.00 0.04 -0.04 2.09 2.08 1z87A15 GLU 73 HB3 -0.00 0.08 -0.07 -0.04 1.99 1.96 1z87A15 GLU 73 HG2 -0.00 -0.16 0.19 -0.04 2.34 2.33 1z87A15 GLU 73 HG3 -0.00 -0.02 0.01 -0.04 2.34 2.28 1z87A15 ALA 74 H 0.00 0.17 0.19 -0.55 8.40 8.22 1z87A15 ALA 74 HA 0.00 0.08 0.34 -0.75 4.34 4.01 1z87A15 ALA 74 HB3 0.01 0.05 -0.09 -0.04 1.41 1.33 1z87A15 LEU 75 H 0.00 -0.02 -0.69 -0.55 8.37 7.11 1z87A15 LEU 75 HA -0.00 0.05 0.17 -0.75 4.35 3.81 1z87A15 LEU 75 HB2 0.00 -0.05 -0.29 -0.04 1.64 1.27 1z87A15 LEU 75 HB3 0.00 0.05 0.13 -0.04 1.64 1.78 1z87A15 LEU 75 HG -0.00 -0.04 0.01 -0.04 1.64 1.57 1z87A15 LEU 75 HD13 -0.00 0.00 -0.02 -0.04 0.93 0.88 1z87A15 LEU 75 HD23 -0.00 0.02 0.01 -0.04 0.89 0.88 1z87A15 LEU 76 H 0.00 0.21 -0.93 -0.55 8.37 7.10 1z87A15 LEU 76 HA 0.01 -0.02 0.17 -0.75 4.35 3.76 1z87A15 LEU 76 HB2 0.00 0.04 -0.20 -0.04 1.64 1.44 1z87A15 LEU 76 HB3 0.01 -0.03 0.14 -0.04 1.64 1.71 1z87A15 LEU 76 HG 0.00 0.02 -0.00 -0.04 1.64 1.62 1z87A15 LEU 76 HD13 -0.00 -0.02 -0.11 -0.04 0.93 0.76 1z87A15 LEU 76 HD23 -0.00 -0.01 -0.01 -0.04 0.89 0.82 1z87A15 LEU 77 H 0.01 0.37 -0.33 -0.55 8.37 7.87 1z87A15 LEU 77 HA 0.01 0.11 0.53 -0.75 4.35 4.24 1z87A15 LEU 77 HB2 0.01 -0.03 0.02 -0.04 1.64 1.60 1z87A15 LEU 77 HB3 0.00 -0.01 0.05 -0.04 1.64 1.64 1z87A15 LEU 77 HG 0.00 -0.05 -0.01 -0.04 1.64 1.54 1z87A15 LEU 77 HD13 0.00 -0.01 -0.27 -0.04 0.93 0.61 1z87A15 LEU 77 HD23 0.01 -0.01 0.05 -0.04 0.89 0.90 1z87A15 GLN 78 H 0.01 0.18 -0.05 -0.55 8.47 8.07 1z87A15 GLN 78 HA 0.01 0.15 0.80 -0.75 4.36 4.57 1z87A15 GLN 78 HB2 0.01 -0.05 -0.02 -0.04 2.15 2.05 1z87A15 GLN 78 HB3 0.01 -0.02 0.11 -0.04 2.02 2.07 1z87A15 GLN 78 HG2 0.01 0.09 0.07 -0.04 2.40 2.53 1z87A15 GLN 78 HG3 0.01 -0.01 -0.08 -0.04 2.39 2.26 1z87A15 GLN 78 HE21 0.01 0.01 -0.03 -0.04 6.97 6.91 1z87A15 GLN 78 HE22 0.01 -0.04 -0.03 -0.04 7.69 7.58 1z87A15 ARG 79 H 0.02 0.15 -0.12 -0.55 8.46 7.95 1z87A15 ARG 79 HA 0.03 -0.04 0.32 -0.75 4.34 3.90 1z87A15 ARG 79 HB2 0.02 -0.01 -0.57 -0.04 1.90 1.31 1z87A15 ARG 79 HB3 0.03 0.27 0.07 -0.04 1.80 2.13 1z87A15 ARG 79 HG2 0.03 -0.02 -0.18 -0.04 1.67 1.46 1z87A15 ARG 79 HG3 0.04 -0.13 0.12 -0.04 1.67 1.66 1z87A15 ARG 79 HD2 0.03 -0.02 -0.03 -0.04 3.22 3.16 1z87A15 ARG 79 HD3 0.03 0.01 0.04 -0.04 3.22 3.26 1z87A15 ARG 80 H 0.05 0.31 0.34 -0.55 8.46 8.61 1z87A15 ARG 80 HA 0.03 0.05 0.47 -0.75 4.34 4.13 1z87A15 ARG 80 HB2 0.07 0.10 0.04 -0.04 1.90 2.06 1z87A15 ARG 80 HB3 0.05 -0.04 -0.04 -0.04 1.80 1.72 1z87A15 ARG 80 HG2 0.07 -0.04 -0.03 -0.04 1.67 1.62 1z87A15 ARG 80 HG3 0.10 -0.03 -0.09 -0.04 1.67 1.61 1z87A15 ARG 80 HD2 0.03 -0.02 -0.03 -0.04 3.22 3.16 1z87A15 ARG 80 HD3 0.03 0.03 -0.08 -0.04 3.22 3.16 1z87A15 ARG 81 H 0.02 0.12 0.09 -0.55 8.46 8.14 1z87A15 ARG 81 HA 0.02 0.29 1.05 -0.75 4.34 4.94 1z87A15 ARG 81 HB2 0.01 -0.01 0.08 -0.04 1.90 1.94 1z87A15 ARG 81 HB3 0.01 0.08 -0.05 -0.04 1.80 1.80 1z87A15 ARG 81 HG2 0.01 0.04 0.05 -0.04 1.67 1.73 1z87A15 ARG 81 HG3 0.01 -0.07 0.17 -0.04 1.67 1.74 1z87A15 ARG 81 HD2 0.01 0.03 0.11 -0.04 3.22 3.33 1z87A15 ARG 81 HD3 0.00 -0.01 0.04 -0.04 3.22 3.22 1z87A15 VAL 82 H 0.02 0.18 0.03 -0.55 8.24 7.91 1z87A15 VAL 82 HA 0.01 0.10 0.52 -0.75 4.13 4.00 1z87A15 VAL 82 HB 0.01 -0.13 -0.05 -0.04 2.12 1.92 1z87A15 VAL 82 HG13 0.00 0.00 -0.01 -0.04 0.97 0.92 1z87A15 VAL 82 HG23 0.02 -0.00 -0.04 -0.04 0.95 0.89 1z87A15 THR 83 H 0.00 0.19 0.22 -0.55 8.28 8.14 1z87A15 THR 83 HA 0.00 0.23 1.04 -0.75 4.39 4.91 1z87A15 THR 83 HB 0.00 -0.05 0.02 -0.04 4.32 4.25 1z87A15 THR 83 HG23 0.00 -0.03 0.03 -0.04 1.22 1.18 1z87A15 VAL 84 H 0.00 0.75 0.13 -0.55 8.24 8.57 1z87A15 VAL 84 HA 0.00 0.19 0.83 -0.75 4.13 4.39 1z87A15 VAL 84 HB 0.00 -0.08 0.11 -0.04 2.12 2.12 1z87A15 VAL 84 HG13 0.00 0.01 -0.19 -0.04 0.97 0.76 1z87A15 VAL 84 HG23 0.00 0.01 -0.35 -0.04 0.95 0.58 1z87A15 ARG 85 H 0.00 0.22 -0.03 -0.55 8.46 8.10 1z87A15 ARG 85 HA 0.00 0.15 0.63 -0.75 4.34 4.37 1z87A15 ARG 85 HB2 0.00 -0.03 0.09 -0.04 1.90 1.92 1z87A15 ARG 85 HB3 0.00 0.02 -0.13 -0.04 1.80 1.65 1z87A15 ARG 85 HG2 -0.00 0.09 -0.04 -0.04 1.67 1.69 1z87A15 ARG 85 HG3 0.00 0.00 -0.05 -0.04 1.67 1.58 1z87A15 ARG 85 HD2 -0.00 0.07 -0.06 -0.04 3.22 3.19 1z87A15 ARG 85 HD3 -0.00 -0.10 -0.12 -0.04 3.22 2.95 1z87A15 LYS 86 H 0.00 0.26 -0.03 -0.55 8.42 8.09 1z87A15 LYS 86 HA 0.00 0.13 0.52 -0.75 4.32 4.22 1z87A15 LYS 86 HB2 0.00 -0.12 0.27 -0.04 1.87 1.98 1z87A15 LYS 86 HB3 -0.00 0.13 0.09 -0.04 1.79 1.97 1z87A15 LYS 86 HG2 0.00 0.02 -0.06 -0.04 1.46 1.39 1z87A15 LYS 86 HG3 -0.00 -0.00 0.13 -0.04 1.46 1.54 1z87A15 LYS 86 HD2 0.00 0.11 0.02 -0.04 1.69 1.78 1z87A15 LYS 86 HD3 0.00 0.08 0.09 -0.04 1.68 1.81 1z87A15 LYS 86 HE2 0.00 -0.12 -0.12 -0.04 2.99 2.71 1z87A15 LYS 86 HE3 0.00 -0.02 -0.36 -0.04 2.99 2.57 1z87A15 ALA 87 H -0.00 0.10 0.10 -0.55 8.40 8.06 1z87A15 ALA 87 HA -0.00 0.17 0.55 -0.75 4.34 4.30 1z87A15 ALA 87 HB3 -0.00 0.01 0.18 -0.04 1.41 1.56 1z87A15 ASP 88 H 0.00 0.51 -0.33 -0.55 8.40 8.03 1z87A15 ASP 88 HA -0.00 0.16 0.57 -0.75 4.63 4.60 1z87A15 ASP 88 HB2 -0.00 -0.05 -0.46 -0.04 2.71 2.16 1z87A15 ASP 88 HB3 0.00 -0.11 -0.04 -0.04 2.70 2.51 1z87A15 ALA 89 H 0.00 0.14 0.02 -0.55 8.40 8.01 1z87A15 ALA 89 HA 0.00 0.22 0.79 -0.75 4.34 4.60 1z87A15 ALA 89 HB3 0.00 -0.03 0.05 -0.04 1.41 1.40 1z87A15 GLY 90 H 0.00 0.12 0.09 -0.55 8.43 8.09 1z87A15 GLY 90 HA2 0.00 0.18 0.50 -0.51 4.01 4.18 1z87A15 GLY 90 HA3 0.00 -0.06 0.39 -0.51 4.01 3.83 1z87A15 GLY 91 H 0.01 0.12 0.25 -0.55 8.43 8.25 1z87A15 GLY 91 HA2 0.00 0.23 0.84 -0.51 4.01 4.57 1z87A15 GLY 91 HA3 0.00 0.13 0.33 -0.51 4.01 3.97 1z87A15 LEU 92 H 0.01 0.26 0.17 -0.55 8.37 8.26 1z87A15 LEU 92 HA 0.03 -0.03 0.89 -0.75 4.35 4.49 1z87A15 LEU 92 HB2 0.01 0.02 -0.01 -0.04 1.64 1.62 1z87A15 LEU 92 HB3 0.01 0.12 0.03 -0.04 1.64 1.77 1z87A15 LEU 92 HG 0.03 -0.23 0.06 -0.04 1.64 1.46 1z87A15 LEU 92 HD13 0.02 -0.01 -0.04 -0.04 0.93 0.86 1z87A15 LEU 92 HD23 0.01 0.04 -0.08 -0.04 0.89 0.82 1z87A15 GLY 93 H 0.06 -0.02 0.17 -0.55 8.43 8.09 1z87A15 GLY 93 HA2 0.05 0.18 0.47 -0.51 4.01 4.20 1z87A15 GLY 93 HA3 0.06 0.08 0.32 -0.51 4.01 3.95 1z87A15 ILE 94 H 0.07 -0.06 0.16 -0.55 8.25 7.86 1z87A15 ILE 94 HA 0.11 0.04 0.58 -0.75 4.18 4.16 1z87A15 ILE 94 HB 0.01 0.13 0.18 -0.04 1.89 2.17 1z87A15 ILE 94 HG12 0.03 -0.07 0.06 -0.04 1.49 1.46 1z87A15 ILE 94 HG13 0.03 0.02 -0.03 -0.04 1.21 1.19 1z87A15 ILE 94 HG23 0.03 -0.05 0.11 -0.04 0.93 0.99 1z87A15 ILE 94 HD13 0.01 -0.00 -0.11 -0.04 0.88 0.74 1z87A15 SER 95 H -0.02 0.61 0.31 -0.55 8.46 8.81 1z87A15 SER 95 HA 0.06 0.19 0.98 -0.75 4.49 4.96 1z87A15 SER 95 HB2 -0.02 -0.04 0.06 -0.04 3.95 3.91 1z87A15 SER 95 HB3 -0.01 0.02 0.08 -0.04 3.93 3.98 1z87A15 ILE 96 H 0.04 0.18 0.05 -0.55 8.25 7.97 1z87A15 ILE 96 HA 0.04 -0.13 0.85 -0.75 4.18 4.18 1z87A15 ILE 96 HB 0.06 0.08 0.05 -0.04 1.89 2.04 1z87A15 ILE 96 HG12 -0.07 0.03 -0.05 -0.04 1.49 1.35 1z87A15 ILE 96 HG13 0.01 0.02 -0.22 -0.04 1.21 0.97 1z87A15 ILE 96 HG23 0.00 -0.03 -0.18 -0.04 0.93 0.69 1z87A15 ILE 96 HD13 -0.20 -0.02 -0.16 -0.04 0.88 0.47 1z87A15 LYS 97 H 0.11 0.55 0.29 -0.55 8.42 8.82 1z87A15 LYS 97 HA -0.01 0.07 0.72 -0.75 4.32 4.35 1z87A15 LYS 97 HB2 -0.01 0.03 0.01 -0.04 1.87 1.87 1z87A15 LYS 97 HB3 -0.07 0.01 0.00 -0.04 1.79 1.69 1z87A15 LYS 97 HG2 0.03 0.05 -0.66 -0.04 1.46 0.84 1z87A15 LYS 97 HG3 -0.03 0.03 -0.09 -0.04 1.46 1.33 1z87A15 LYS 97 HD2 -0.07 -0.02 0.02 -0.04 1.69 1.58 1z87A15 LYS 97 HD3 -0.18 -0.09 0.18 -0.04 1.68 1.55 1z87A15 LYS 97 HE2 0.03 0.00 -0.08 -0.04 2.99 2.90 1z87A15 LYS 97 HE3 -0.01 -0.04 0.00 -0.04 2.99 2.90 1z87A15 GLY 98 H -0.44 0.25 0.22 -0.55 8.43 7.92 1z87A15 GLY 98 HA2 -0.01 0.26 0.34 -0.51 4.01 4.09 1z87A15 GLY 98 HA3 0.11 -0.02 0.23 -0.51 4.01 3.81 1z87A15 GLY 99 H 0.01 0.76 0.01 -0.55 8.43 8.67 1z87A15 GLY 99 HA2 0.02 -0.13 0.62 -0.51 4.01 4.01 1z87A15 GLY 99 HA3 -0.02 0.12 0.48 -0.51 4.01 4.09 1z87A15 ARG 100 H 0.03 0.04 0.15 -0.55 8.46 8.13 1z87A15 ARG 100 HA 0.01 0.05 0.31 -0.75 4.34 3.96 1z87A15 ARG 100 HB2 0.02 -0.11 -0.06 -0.04 1.90 1.71 1z87A15 ARG 100 HB3 0.01 0.06 -0.15 -0.04 1.80 1.68 1z87A15 ARG 100 HG2 0.01 -0.04 -0.23 -0.04 1.67 1.36 1z87A15 ARG 100 HG3 0.01 0.04 -0.12 -0.04 1.67 1.56 1z87A15 ARG 100 HD2 0.01 0.10 0.06 -0.04 3.22 3.34 1z87A15 ARG 100 HD3 0.01 0.00 0.04 -0.04 3.22 3.23 1z87A15 GLU 101 H 0.01 -0.09 -0.48 -0.55 8.60 7.50 1z87A15 GLU 101 HA 0.01 0.07 0.29 -0.75 4.29 3.90 1z87A15 GLU 101 HB2 0.01 -0.12 0.09 -0.04 2.09 2.03 1z87A15 GLU 101 HB3 0.00 0.04 -0.02 -0.04 1.99 1.97 1z87A15 GLU 101 HG2 0.00 0.04 -0.03 -0.04 2.34 2.31 1z87A15 GLU 101 HG3 0.00 0.07 0.11 -0.04 2.34 2.48 1z87A15 ASN 102 H 0.00 0.03 -0.57 -0.55 8.53 7.44 1z87A15 ASN 102 HA -0.00 0.23 0.94 -0.75 4.76 5.18 1z87A15 ASN 102 HB2 -0.01 -0.11 0.13 -0.04 2.88 2.85 1z87A15 ASN 102 HB3 -0.00 0.05 0.01 -0.04 2.79 2.81 1z87A15 ASN 102 HD21 -0.01 0.02 -0.01 -0.04 7.03 6.99 1z87A15 ASN 102 HD22 -0.01 0.00 -0.04 -0.04 7.74 7.66 1z87A15 LYS 103 H -0.00 0.02 0.17 -0.55 8.42 8.06 1z87A15 LYS 103 HA 0.00 0.13 0.35 -0.75 4.32 4.04 1z87A15 LYS 103 HB2 -0.00 -0.01 0.21 -0.04 1.87 2.03 1z87A15 LYS 103 HB3 -0.00 0.26 -0.13 -0.04 1.79 1.88 1z87A15 LYS 103 HG2 -0.01 0.01 -0.17 -0.04 1.46 1.25 1z87A15 LYS 103 HG3 -0.00 0.01 -0.01 -0.04 1.46 1.42 1z87A15 LYS 103 HD2 -0.00 -0.18 -0.46 -0.04 1.69 1.01 1z87A15 LYS 103 HD3 -0.01 -0.00 -0.11 -0.04 1.68 1.52 1z87A15 LYS 103 HE2 -0.00 -0.02 -0.06 -0.04 2.99 2.87 1z87A15 LYS 103 HE3 -0.00 0.01 -0.05 -0.04 2.99 2.91 1z87A15 MET 104 H -0.00 0.25 0.15 -0.55 8.47 8.32 1z87A15 MET 104 HA -0.01 0.31 0.89 -0.75 4.52 4.96 1z87A15 MET 104 HB2 -0.01 0.01 0.08 -0.04 2.15 2.18 1z87A15 MET 104 HB3 -0.01 -0.29 0.19 -0.04 2.03 1.88 1z87A15 MET 104 HG2 -0.03 -0.12 -0.11 -0.04 2.63 2.34 1z87A15 MET 104 HG3 -0.01 0.21 -0.06 -0.04 2.56 2.66 1z87A15 MET 104 HE3 -0.02 0.04 0.03 -0.04 2.10 2.11 1z87A15 PRO 105 HA 0.01 0.03 0.37 -0.51 4.44 4.34 1z87A15 PRO 105 HB2 -0.00 0.02 -0.08 -0.04 2.28 2.18 1z87A15 PRO 105 HB3 0.01 0.09 0.07 -0.04 2.02 2.14 1z87A15 PRO 105 HG2 -0.00 0.03 0.05 -0.04 2.03 2.07 1z87A15 PRO 105 HG3 0.00 0.07 0.01 -0.04 2.03 2.07 1z87A15 PRO 105 HD2 -0.01 0.10 0.20 -0.04 3.68 3.93 1z87A15 PRO 105 HD3 -0.00 0.51 0.28 -0.04 3.65 4.39 1z87A15 ILE 106 H 0.02 0.19 0.15 -0.55 8.25 8.06 1z87A15 ILE 106 HA 0.07 0.16 0.62 -0.75 4.18 4.28 1z87A15 ILE 106 HB 0.02 -0.01 0.07 -0.04 1.89 1.93 1z87A15 ILE 106 HG12 0.04 0.02 0.04 -0.04 1.49 1.54 1z87A15 ILE 106 HG13 0.03 0.12 -0.06 -0.04 1.21 1.25 1z87A15 ILE 106 HG23 0.06 -0.00 -0.14 -0.04 0.93 0.80 1z87A15 ILE 106 HD13 0.15 -0.04 -0.21 -0.04 0.88 0.74 1z87A15 LEU 107 H 0.04 0.51 0.30 -0.55 8.37 8.67 1z87A15 LEU 107 HA 0.01 0.31 0.88 -0.75 4.35 4.79 1z87A15 LEU 107 HB2 -0.02 0.09 -0.19 -0.04 1.64 1.48 1z87A15 LEU 107 HB3 -0.02 -0.10 -0.35 -0.04 1.64 1.13 1z87A15 LEU 107 HG -0.01 0.02 -0.86 -0.04 1.64 0.76 1z87A15 LEU 107 HD13 -0.01 0.04 -0.10 -0.04 0.93 0.82 1z87A15 LEU 107 HD23 -0.04 -0.01 -0.23 -0.04 0.89 0.57 1z87A15 ILE 108 H 0.00 0.20 0.11 -0.55 8.25 8.01 1z87A15 ILE 108 HA 0.01 -0.02 0.45 -0.75 4.18 3.86 1z87A15 ILE 108 HB 0.01 -0.17 0.03 -0.04 1.89 1.72 1z87A15 ILE 108 HG12 0.02 0.13 0.16 -0.04 1.49 1.75 1z87A15 ILE 108 HG13 0.02 -0.04 0.03 -0.04 1.21 1.18 1z87A15 ILE 108 HG23 -0.00 0.02 -0.19 -0.04 0.93 0.72 1z87A15 ILE 108 HD13 0.01 0.03 -0.09 -0.04 0.88 0.78 1z87A15 SER 109 H 0.00 0.10 0.30 -0.55 8.46 8.31 1z87A15 SER 109 HA -0.03 0.24 0.82 -0.75 4.49 4.76 1z87A15 SER 109 HB2 0.01 -0.22 -0.01 -0.04 3.95 3.69 1z87A15 SER 109 HB3 -0.02 0.11 -0.04 -0.04 3.93 3.95 1z87A15 LYS 110 H -0.04 -0.03 0.09 -0.55 8.42 7.87 1z87A15 LYS 110 HA -0.15 0.17 0.62 -0.75 4.32 4.20 1z87A15 LYS 110 HB2 -0.14 0.09 -0.03 -0.04 1.87 1.75 1z87A15 LYS 110 HB3 -0.42 -0.11 0.02 -0.04 1.79 1.24 1z87A15 LYS 110 HG2 -0.37 -0.05 0.07 -0.04 1.46 1.07 1z87A15 LYS 110 HG3 -0.16 0.30 0.11 -0.04 1.46 1.66 1z87A15 LYS 110 HD2 -0.11 0.04 -0.02 -0.04 1.69 1.55 1z87A15 LYS 110 HD3 -0.32 -0.06 -0.02 -0.04 1.68 1.25 1z87A15 LYS 110 HE2 -0.15 -0.02 -0.01 -0.04 2.99 2.78 1z87A15 LYS 110 HE3 -0.34 -0.01 -0.00 -0.04 2.99 2.60 1z87A15 ILE 111 H -0.15 0.31 -0.03 -0.55 8.25 7.84 1z87A15 ILE 111 HA -0.03 0.07 0.91 -0.75 4.18 4.38 1z87A15 ILE 111 HB -0.02 0.09 0.08 -0.04 1.89 1.99 1z87A15 ILE 111 HG12 -0.00 0.00 -0.11 -0.04 1.49 1.34 1z87A15 ILE 111 HG13 -0.02 -0.05 -0.33 -0.04 1.21 0.77 1z87A15 ILE 111 HG23 0.00 0.02 -0.16 -0.04 0.93 0.76 1z87A15 ILE 111 HD13 0.01 0.03 -0.05 -0.04 0.88 0.83 1z87A15 PHE 112 H -0.03 0.13 -0.16 -0.55 8.34 7.72 1z87A15 PHE 112 HA 0.01 0.04 0.33 -0.75 4.62 4.24 1z87A15 PHE 112 HB2 0.00 -0.05 -0.05 -0.04 3.15 3.02 1z87A15 PHE 112 HB3 0.00 0.14 -0.11 -0.04 3.06 3.06 1z87A15 PHE 112 HD2 0.01 0.15 0.05 -0.04 7.28 7.45 1z87A15 PHE 112 HE2 0.01 0.02 -0.02 -0.04 7.38 7.35 1z87A15 PHE 112 HZ 0.01 0.01 -0.01 -0.04 7.32 7.28 1z87A15 LYS 113 H 0.19 0.11 0.17 -0.55 8.42 8.33 1z87A15 LYS 113 HA 0.06 0.04 0.60 -0.75 4.32 4.27 1z87A15 LYS 113 HB2 0.08 0.01 0.11 -0.04 1.87 2.02 1z87A15 LYS 113 HB3 0.04 0.02 0.07 -0.04 1.79 1.88 1z87A15 LYS 113 HG2 0.03 0.04 0.04 -0.04 1.46 1.54 1z87A15 LYS 113 HG3 0.04 0.07 0.02 -0.04 1.46 1.55 1z87A15 LYS 113 HD2 0.04 0.04 0.02 -0.04 1.69 1.74 1z87A15 LYS 113 HD3 0.07 -0.06 0.06 -0.04 1.68 1.71 1z87A15 LYS 113 HE2 0.05 -0.01 0.01 -0.04 2.99 3.00 1z87A15 LYS 113 HE3 0.04 0.03 0.01 -0.04 2.99 3.03 1z87A15 GLY 114 H 0.04 0.11 0.20 -0.55 8.43 8.23 1z87A15 GLY 114 HA2 0.02 0.06 0.33 -0.51 4.01 3.90 1z87A15 GLY 114 HA3 0.02 0.19 0.69 -0.51 4.01 4.40 1z87A15 LEU 115 H 0.03 0.01 0.10 -0.55 8.37 7.97 1z87A15 LEU 115 HA 0.02 0.24 0.75 -0.75 4.35 4.60 1z87A15 LEU 115 HB2 0.06 -0.04 -0.07 -0.04 1.64 1.55 1z87A15 LEU 115 HB3 0.03 0.16 0.21 -0.04 1.64 2.00 1z87A15 LEU 115 HG 0.01 0.29 -0.32 -0.04 1.64 1.58 1z87A15 LEU 115 HD13 0.08 0.10 -0.62 -0.04 0.93 0.44 1z87A15 LEU 115 HD23 0.01 -0.04 -0.23 -0.04 0.89 0.60 1z87A15 ALA 116 H 0.02 0.98 0.36 -0.55 8.40 9.21 1z87A15 ALA 116 HA 0.01 0.08 0.39 -0.75 4.34 4.06 1z87A15 ALA 116 HB3 0.01 0.01 -0.12 -0.04 1.41 1.27 1z87A15 ALA 117 H 0.03 0.10 -0.26 -0.55 8.40 7.72 1z87A15 ALA 117 HA 0.01 0.09 0.37 -0.75 4.34 4.06 1z87A15 ALA 117 HB3 0.03 0.02 0.01 -0.04 1.41 1.43 1z87A15 ASP 118 H 0.02 0.21 -0.38 -0.55 8.40 7.70 1z87A15 ASP 118 HA -0.00 0.15 0.59 -0.75 4.63 4.61 1z87A15 ASP 118 HB2 0.03 -0.19 0.24 -0.04 2.71 2.74 1z87A15 ASP 118 HB3 0.01 0.11 0.11 -0.04 2.70 2.89 1z87A15 GLN 119 H 0.01 0.35 0.06 -0.55 8.47 8.34 1z87A15 GLN 119 HA -0.00 0.11 0.36 -0.75 4.36 4.08 1z87A15 GLN 119 HB2 0.00 -0.08 0.10 -0.04 2.15 2.13 1z87A15 GLN 119 HB3 -0.00 0.05 -0.02 -0.04 2.02 2.01 1z87A15 GLN 119 HG2 0.00 0.04 -0.03 -0.04 2.40 2.36 1z87A15 GLN 119 HG3 0.00 0.05 0.01 -0.04 2.39 2.40 1z87A15 GLN 119 HE21 0.00 -0.07 -0.28 -0.04 6.97 6.58 1z87A15 GLN 119 HE22 0.01 -0.11 -0.44 -0.04 7.69 7.11 1z87A15 THR 120 H -0.00 0.29 -0.42 -0.55 8.28 7.59 1z87A15 THR 120 HA -0.01 0.04 0.38 -0.75 4.39 4.05 1z87A15 THR 120 HB -0.01 -0.17 -0.02 -0.04 4.32 4.07 1z87A15 THR 120 HG23 -0.00 -0.03 0.08 -0.04 1.22 1.23 1z87A15 GLU 121 H -0.03 0.23 -0.34 -0.55 8.60 7.92 1z87A15 GLU 121 HA -0.08 -0.02 0.33 -0.75 4.29 3.76 1z87A15 GLU 121 HB2 -0.07 -0.06 0.19 -0.04 2.09 2.12 1z87A15 GLU 121 HB3 -0.04 0.10 -0.02 -0.04 1.99 1.99 1z87A15 GLU 121 HG2 -0.03 0.19 -0.60 -0.04 2.34 1.86 1z87A15 GLU 121 HG3 -0.04 -0.01 0.01 -0.04 2.34 2.26 1z87A15 ALA 122 H -0.04 -0.05 -0.64 -0.55 8.40 7.12 1z87A15 ALA 122 HA -0.05 0.28 0.84 -0.75 4.34 4.66 1z87A15 ALA 122 HB3 -0.01 -0.02 0.06 -0.04 1.41 1.40 1z87A15 LEU 123 H -0.10 0.23 -0.17 -0.55 8.37 7.78 1z87A15 LEU 123 HA 0.05 0.19 0.64 -0.75 4.35 4.47 1z87A15 LEU 123 HB2 -0.01 0.07 -0.04 -0.04 1.64 1.62 1z87A15 LEU 123 HB3 0.04 -0.29 0.13 -0.04 1.64 1.48 1z87A15 LEU 123 HG 0.01 0.19 -0.68 -0.04 1.64 1.12 1z87A15 LEU 123 HD13 0.01 -0.01 -0.09 -0.04 0.93 0.79 1z87A15 LEU 123 HD23 0.03 -0.01 -0.03 -0.04 0.89 0.84 1z87A15 PHE 124 H 0.15 -0.04 0.05 -0.55 8.34 7.94 1z87A15 PHE 124 HA 0.05 0.23 0.53 -0.75 4.62 4.67 1z87A15 PHE 124 HB2 0.19 -0.06 -0.28 -0.04 3.15 2.96 1z87A15 PHE 124 HB3 0.13 0.05 0.07 -0.04 3.06 3.27 1z87A15 PHE 124 HD2 0.08 -0.04 -0.06 -0.04 7.28 7.22 1z87A15 PHE 124 HE2 0.04 -0.00 -0.02 -0.04 7.38 7.35 1z87A15 PHE 124 HZ 0.05 0.00 -0.01 -0.04 7.32 7.32 1z87A15 VAL 125 H 0.08 0.04 0.00 -0.55 8.24 7.82 1z87A15 VAL 125 HA 0.02 -0.13 0.19 -0.75 4.13 3.46 1z87A15 VAL 125 HB 0.03 -0.08 -0.11 -0.04 2.12 1.92 1z87A15 VAL 125 HG13 0.07 0.04 -0.23 -0.04 0.97 0.81 1z87A15 VAL 125 HG23 -0.03 -0.02 -0.19 -0.04 0.95 0.66 1z87A15 GLY 126 H 0.05 -0.24 -0.34 -0.55 8.43 7.35 1z87A15 GLY 126 HA2 -0.06 0.18 0.38 -0.51 4.01 4.00 1z87A15 GLY 126 HA3 -0.10 0.19 0.33 -0.51 4.01 3.92 1z87A15 ASP 127 H 0.00 -0.05 0.14 -0.55 8.40 7.94 1z87A15 ASP 127 HA -0.03 0.36 1.03 -0.75 4.63 5.22 1z87A15 ASP 127 HB2 0.06 -0.20 0.07 -0.04 2.71 2.60 1z87A15 ASP 127 HB3 0.04 -0.00 -0.12 -0.04 2.70 2.58 1z87A15 ALA 128 H -0.01 0.58 0.36 -0.55 8.40 8.78 1z87A15 ALA 128 HA -0.00 0.25 0.76 -0.75 4.34 4.60 1z87A15 ALA 128 HB3 -0.01 0.02 0.06 -0.04 1.41 1.44 1z87A15 ILE 129 H 0.01 0.74 0.40 -0.55 8.25 8.85 1z87A15 ILE 129 HA 0.01 0.09 0.55 -0.75 4.18 4.08 1z87A15 ILE 129 HB 0.01 -0.02 -0.01 -0.04 1.89 1.82 1z87A15 ILE 129 HG12 0.01 -0.04 -0.12 -0.04 1.49 1.30 1z87A15 ILE 129 HG13 0.01 0.07 -0.02 -0.04 1.21 1.23 1z87A15 ILE 129 HG23 0.01 0.01 -0.08 -0.04 0.93 0.82 1z87A15 ILE 129 HD13 0.00 -0.02 -0.22 -0.04 0.88 0.60 1z87A15 LEU 130 H 0.01 0.28 0.32 -0.55 8.37 8.43 1z87A15 LEU 130 HA 0.01 0.06 0.55 -0.75 4.35 4.22 1z87A15 LEU 130 HB2 0.01 -0.06 -0.02 -0.04 1.64 1.53 1z87A15 LEU 130 HB3 0.01 0.11 -0.07 -0.04 1.64 1.65 1z87A15 LEU 130 HG 0.01 0.12 0.10 -0.04 1.64 1.83 1z87A15 LEU 130 HD13 0.01 -0.01 -0.15 -0.04 0.93 0.75 1z87A15 LEU 130 HD23 0.02 -0.04 -0.32 -0.04 0.89 0.51 1z87A15 SER 131 H 0.01 0.51 0.39 -0.55 8.46 8.82 1z87A15 SER 131 HA 0.01 0.19 0.86 -0.75 4.49 4.80 1z87A15 SER 131 HB2 0.01 0.04 -0.06 -0.04 3.95 3.89 1z87A15 SER 131 HB3 0.01 0.05 0.01 -0.04 3.93 3.96 1z87A15 VAL 132 H 0.00 0.73 0.21 -0.55 8.24 8.63 1z87A15 VAL 132 HA 0.00 0.12 1.01 -0.75 4.13 4.51 1z87A15 VAL 132 HB -0.00 -0.06 -0.12 -0.04 2.12 1.90 1z87A15 VAL 132 HG13 -0.00 0.10 -0.01 -0.04 0.97 1.02 1z87A15 VAL 132 HG23 -0.00 -0.01 -0.11 -0.04 0.95 0.79 1z87A15 ASN 133 H 0.00 0.29 0.01 -0.55 8.53 8.29 1z87A15 ASN 133 HA 0.00 0.06 0.36 -0.75 4.76 4.43 1z87A15 ASN 133 HB2 0.00 -0.12 -0.04 -0.04 2.88 2.69 1z87A15 ASN 133 HB3 0.00 0.14 0.06 -0.04 2.79 2.95 1z87A15 ASN 133 HD21 0.00 0.04 0.16 -0.04 7.03 7.19 1z87A15 ASN 133 HD22 0.00 0.06 0.09 -0.04 7.74 7.85 1z87A15 GLY 134 H 0.00 -0.05 -0.70 -0.55 8.43 7.13 1z87A15 GLY 134 HA2 0.00 -0.05 0.21 -0.51 4.01 3.67 1z87A15 GLY 134 HA3 0.00 0.15 0.61 -0.51 4.01 4.26 1z87A15 GLU 135 H 0.00 -0.13 -0.08 -0.55 8.60 7.85 1z87A15 GLU 135 HA 0.00 0.07 0.63 -0.75 4.29 4.23 1z87A15 GLU 135 HB2 0.00 0.23 -0.20 -0.04 2.09 2.07 1z87A15 GLU 135 HB3 0.00 -0.09 -0.02 -0.04 1.99 1.83 1z87A15 GLU 135 HG2 0.00 -0.06 0.01 -0.04 2.34 2.25 1z87A15 GLU 135 HG3 0.00 0.18 0.19 -0.04 2.34 2.67 1z87A15 ASP 136 H 0.00 0.20 0.11 -0.55 8.40 8.17 1z87A15 ASP 136 HA 0.00 0.23 0.83 -0.75 4.63 4.94 1z87A15 ASP 136 HB2 0.01 -0.04 0.09 -0.04 2.71 2.72 1z87A15 ASP 136 HB3 0.00 0.03 0.12 -0.04 2.70 2.81 1z87A15 LEU 137 H 0.00 0.72 0.32 -0.55 8.37 8.87 1z87A15 LEU 137 HA 0.00 0.16 0.59 -0.75 4.35 4.35 1z87A15 LEU 137 HB2 0.00 -0.02 -0.04 -0.04 1.64 1.54 1z87A15 LEU 137 HB3 0.00 0.01 0.13 -0.04 1.64 1.74 1z87A15 LEU 137 HG -0.00 0.14 -0.14 -0.04 1.64 1.59 1z87A15 LEU 137 HD13 -0.01 -0.02 -0.13 -0.04 0.93 0.73 1z87A15 LEU 137 HD23 -0.00 0.01 -0.15 -0.04 0.89 0.70 1z87A15 SER 138 H 0.01 0.15 -0.60 -0.55 8.46 7.46 1z87A15 SER 138 HA 0.01 0.06 0.33 -0.75 4.49 4.14 1z87A15 SER 138 HB2 0.01 0.03 -0.05 -0.04 3.95 3.89 1z87A15 SER 138 HB3 0.01 0.03 0.06 -0.04 3.93 3.98 1z87A15 SER 139 H 0.01 0.11 -0.69 -0.55 8.46 7.34 1z87A15 SER 139 HA 0.01 0.21 0.78 -0.75 4.49 4.73 1z87A15 SER 139 HB2 0.00 -0.00 0.01 -0.04 3.95 3.92 1z87A15 SER 139 HB3 0.00 -0.01 0.17 -0.04 3.93 4.05 1z87A15 ALA 140 H 0.01 0.49 -0.37 -0.55 8.40 7.98 1z87A15 ALA 140 HA 0.01 0.10 0.74 -0.75 4.34 4.44 1z87A15 ALA 140 HB3 0.00 -0.02 -0.00 -0.04 1.41 1.35 1z87A15 THR 141 H 0.02 0.20 -0.06 -0.55 8.28 7.89 1z87A15 THR 141 HA 0.04 -0.05 0.32 -0.75 4.39 3.94 1z87A15 THR 141 HB 0.05 -0.12 0.18 -0.04 4.32 4.39 1z87A15 THR 141 HG23 0.02 0.04 -0.05 -0.04 1.22 1.19 1z87A15 HIS 142 H 0.13 0.09 0.09 -0.55 8.41 8.18 1z87A15 HIS 142 HA -0.00 0.09 0.31 -0.75 4.63 4.28 1z87A15 HIS 142 HB2 -0.00 0.18 0.12 -0.04 3.26 3.52 1z87A15 HIS 142 HB3 0.00 -0.03 0.12 -0.04 3.20 3.24 1z87A15 HIS 142 HD2 -0.00 -0.04 -0.14 -0.04 6.97 6.75 1z87A15 HIS 142 HE1 0.00 0.11 -0.02 -0.04 7.75 7.80 1z87A15 ASP 143 H 0.10 0.12 -0.10 -0.55 8.40 7.97 1z87A15 ASP 143 HA -0.01 0.08 0.33 -0.75 4.63 4.27 1z87A15 ASP 143 HB2 0.03 -0.04 -0.01 -0.04 2.71 2.65 1z87A15 ASP 143 HB3 0.01 0.08 -0.02 -0.04 2.70 2.73 1z87A15 GLU 144 H 0.00 0.14 -0.80 -0.55 8.60 7.40 1z87A15 GLU 144 HA -0.01 0.06 0.41 -0.75 4.29 4.00 1z87A15 GLU 144 HB2 -0.00 0.34 -0.26 -0.04 2.09 2.13 1z87A15 GLU 144 HB3 -0.00 0.03 -0.02 -0.04 1.99 1.96 1z87A15 GLU 144 HG2 0.01 -0.12 -0.13 -0.04 2.34 2.05 1z87A15 GLU 144 HG3 0.01 -0.27 -0.03 -0.04 2.34 2.01 1z87A15 ALA 145 H -0.05 0.49 -0.06 -0.55 8.40 8.24 1z87A15 ALA 145 HA -0.04 0.05 0.35 -0.75 4.34 3.94 1z87A15 ALA 145 HB3 -0.09 0.00 0.02 -0.04 1.41 1.31 1z87A15 VAL 146 H -0.12 0.42 -0.29 -0.55 8.24 7.70 1z87A15 VAL 146 HA -0.08 0.04 0.37 -0.75 4.13 3.71 1z87A15 VAL 146 HB -0.05 0.10 0.10 -0.04 2.12 2.23 1z87A15 VAL 146 HG13 -0.03 -0.00 -0.04 -0.04 0.97 0.86 1z87A15 VAL 146 HG23 -0.19 -0.02 -0.07 -0.04 0.95 0.63 1z87A15 GLN 147 H -0.03 0.50 -0.06 -0.55 8.47 8.33 1z87A15 GLN 147 HA -0.01 0.02 0.43 -0.75 4.36 4.04 1z87A15 GLN 147 HB2 -0.01 -0.01 0.05 -0.04 2.15 2.14 1z87A15 GLN 147 HB3 -0.01 -0.00 0.12 -0.04 2.02 2.09 1z87A15 GLN 147 HG2 -0.01 0.16 0.25 -0.04 2.40 2.76 1z87A15 GLN 147 HG3 -0.01 0.18 0.06 -0.04 2.39 2.58 1z87A15 GLN 147 HE21 -0.01 0.05 -0.09 -0.04 6.97 6.89 1z87A15 GLN 147 HE22 -0.00 -0.01 -0.04 -0.04 7.69 7.59 1z87A15 ALA 148 H -0.02 0.51 -0.38 -0.55 8.40 7.95 1z87A15 ALA 148 HA -0.01 0.05 0.38 -0.75 4.34 4.00 1z87A15 ALA 148 HB3 -0.01 0.01 0.02 -0.04 1.41 1.38 1z87A15 LEU 149 H -0.02 0.37 -0.41 -0.55 8.37 7.76 1z87A15 LEU 149 HA -0.01 0.04 0.60 -0.75 4.35 4.23 1z87A15 LEU 149 HB2 -0.01 -0.13 0.02 -0.04 1.64 1.47 1z87A15 LEU 149 HB3 -0.02 0.14 0.08 -0.04 1.64 1.79 1z87A15 LEU 149 HG -0.02 0.21 0.11 -0.04 1.64 1.90 1z87A15 LEU 149 HD13 -0.00 -0.04 -0.22 -0.04 0.93 0.63 1z87A15 LEU 149 HD23 -0.03 -0.02 -0.03 -0.04 0.89 0.76 1z87A15 LYS 150 H -0.01 0.40 -0.04 -0.55 8.42 8.21 1z87A15 LYS 150 HA -0.00 0.05 0.46 -0.75 4.32 4.06 1z87A15 LYS 150 HB2 -0.01 0.00 0.12 -0.04 1.87 1.94 1z87A15 LYS 150 HB3 -0.00 -0.01 0.03 -0.04 1.79 1.77 1z87A15 LYS 150 HG2 -0.01 -0.05 0.01 -0.04 1.46 1.37 1z87A15 LYS 150 HG3 -0.01 0.08 0.12 -0.04 1.46 1.60 1z87A15 LYS 150 HD2 -0.02 0.04 -0.35 -0.04 1.69 1.32 1z87A15 LYS 150 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.60 1z87A15 LYS 150 HE2 -0.01 -0.01 -0.07 -0.04 2.99 2.86 1z87A15 LYS 150 HE3 -0.01 -0.09 -0.18 -0.04 2.99 2.66 1z87A15 LYS 151 H -0.01 0.38 -0.02 -0.55 8.42 8.22 1z87A15 LYS 151 HA -0.00 -0.02 0.33 -0.75 4.32 3.87 1z87A15 LYS 151 HB2 -0.00 -0.04 0.02 -0.04 1.87 1.80 1z87A15 LYS 151 HB3 -0.00 -0.06 0.12 -0.04 1.79 1.81 1z87A15 LYS 151 HG2 -0.01 -0.08 0.00 -0.04 1.46 1.33 1z87A15 LYS 151 HG3 -0.01 -0.05 -0.02 -0.04 1.46 1.33 1z87A15 LYS 151 HD2 -0.00 0.25 -0.01 -0.04 1.69 1.88 1z87A15 LYS 151 HD3 -0.00 0.03 -0.50 -0.04 1.68 1.17 1z87A15 LYS 151 HE2 -0.00 -0.01 -0.09 -0.04 2.99 2.84 1z87A15 LYS 151 HE3 -0.00 -0.03 -0.07 -0.04 2.99 2.84 1z87A15 THR 152 H -0.00 -0.02 -1.09 -0.55 8.28 6.62 1z87A15 THR 152 HA -0.00 0.04 0.36 -0.75 4.39 4.03 1z87A15 THR 152 HB -0.00 0.00 -0.01 -0.04 4.32 4.26 1z87A15 THR 152 HG23 -0.00 -0.06 0.05 -0.04 1.22 1.17 1z87A15 GLY 153 H -0.00 0.09 0.12 -0.55 8.43 8.10 1z87A15 GLY 153 HA2 -0.00 -0.04 0.31 -0.51 4.01 3.77 1z87A15 GLY 153 HA3 -0.00 0.26 0.64 -0.51 4.01 4.40 1z87A15 LYS 154 H -0.00 0.13 0.15 -0.55 8.42 8.14 1z87A15 LYS 154 HA -0.00 -0.03 0.49 -0.75 4.32 4.02 1z87A15 LYS 154 HB2 -0.00 -0.00 -0.20 -0.04 1.87 1.63 1z87A15 LYS 154 HB3 -0.00 0.20 0.43 -0.04 1.79 2.38 1z87A15 LYS 154 HG2 -0.00 0.04 -0.02 -0.04 1.46 1.44 1z87A15 LYS 154 HG3 -0.00 -0.06 0.09 -0.04 1.46 1.45 1z87A15 LYS 154 HD2 -0.00 -0.02 0.01 -0.04 1.69 1.64 1z87A15 LYS 154 HD3 -0.00 0.03 0.01 -0.04 1.68 1.68 1z87A15 LYS 154 HE2 -0.00 -0.02 0.04 -0.04 2.99 2.97 1z87A15 LYS 154 HE3 -0.00 0.00 0.01 -0.04 2.99 2.97 1z87A15 GLU 155 H 0.00 0.65 -0.32 -0.55 8.60 8.39 1z87A15 GLU 155 HA 0.00 0.01 0.47 -0.75 4.29 4.02 1z87A15 GLU 155 HB2 0.00 -0.01 -0.10 -0.04 2.09 1.94 1z87A15 GLU 155 HB3 0.00 0.02 -0.02 -0.04 1.99 1.95 1z87A15 GLU 155 HG2 0.00 -0.11 0.18 -0.04 2.34 2.37 1z87A15 GLU 155 HG3 0.00 0.12 -0.03 -0.04 2.34 2.39 1z87A15 VAL 156 H 0.00 0.55 0.17 -0.55 8.24 8.42 1z87A15 VAL 156 HA 0.00 0.24 0.87 -0.75 4.13 4.49 1z87A15 VAL 156 HB 0.00 -0.09 0.02 -0.04 2.12 2.01 1z87A15 VAL 156 HG13 0.00 0.02 0.01 -0.04 0.97 0.96 1z87A15 VAL 156 HG23 0.00 0.05 -0.04 -0.04 0.95 0.92 1z87A15 VAL 157 H 0.00 0.10 0.10 -0.55 8.24 7.89 1z87A15 VAL 157 HA 0.00 0.33 1.02 -0.75 4.13 4.73 1z87A15 VAL 157 HB 0.00 -0.14 0.18 -0.04 2.12 2.13 1z87A15 VAL 157 HG13 0.00 0.03 -0.11 -0.04 0.97 0.85 1z87A15 VAL 157 HG23 0.00 0.00 -0.29 -0.04 0.95 0.63 1z87A15 LEU 158 H 0.01 0.12 -0.10 -0.55 8.37 7.85 1z87A15 LEU 158 HA 0.01 -0.02 0.62 -0.75 4.35 4.21 1z87A15 LEU 158 HB2 0.01 -0.04 -0.05 -0.04 1.64 1.52 1z87A15 LEU 158 HB3 0.01 -0.04 -0.11 -0.04 1.64 1.46 1z87A15 LEU 158 HG 0.01 0.02 -0.06 -0.04 1.64 1.57 1z87A15 LEU 158 HD13 0.00 -0.02 -0.06 -0.04 0.93 0.81 1z87A15 LEU 158 HD23 0.01 -0.01 -0.13 -0.04 0.89 0.72 1z87A15 GLU 159 H 0.01 0.52 0.43 -0.55 8.60 9.01 1z87A15 GLU 159 HA 0.02 0.43 1.18 -0.75 4.29 5.17 1z87A15 GLU 159 HB2 0.01 -0.01 0.14 -0.04 2.09 2.19 1z87A15 GLU 159 HB3 0.01 -0.25 0.25 -0.04 1.99 1.96 1z87A15 GLU 159 HG2 0.01 0.09 -0.00 -0.04 2.34 2.40 1z87A15 GLU 159 HG3 0.01 0.13 0.09 -0.04 2.34 2.54 1z87A15 VAL 160 H 0.03 0.36 0.11 -0.55 8.24 8.19 1z87A15 VAL 160 HA 0.02 0.26 1.00 -0.75 4.13 4.66 1z87A15 VAL 160 HB 0.03 -0.05 -0.37 -0.04 2.12 1.69 1z87A15 VAL 160 HG13 0.02 -0.03 -0.45 -0.04 0.97 0.47 1z87A15 VAL 160 HG23 0.05 -0.02 -0.18 -0.04 0.95 0.76 1z87A15 LYS 161 H 0.03 0.65 0.30 -0.55 8.42 8.86 1z87A15 LYS 161 HA 0.08 0.08 0.97 -0.75 4.32 4.70 1z87A15 LYS 161 HB2 0.03 0.05 -0.10 -0.04 1.87 1.81 1z87A15 LYS 161 HB3 0.03 0.00 0.03 -0.04 1.79 1.81 1z87A15 LYS 161 HG2 0.07 0.02 -0.16 -0.04 1.46 1.35 1z87A15 LYS 161 HG3 0.05 -0.00 0.07 -0.04 1.46 1.54 1z87A15 LYS 161 HD2 0.03 0.02 -0.05 -0.04 1.69 1.64 1z87A15 LYS 161 HD3 0.03 -0.02 -0.09 -0.04 1.68 1.56 1z87A15 LYS 161 HE2 0.04 0.03 -0.09 -0.04 2.99 2.93 1z87A15 LYS 161 HE3 0.04 0.02 -0.02 -0.04 2.99 2.98 1z87A15 TYR 162 H 0.17 0.18 0.11 -0.55 8.29 8.19 1z87A15 TYR 162 HA 0.02 0.15 0.77 -0.75 4.56 4.75 1z87A15 TYR 162 HB2 0.03 -0.04 0.09 -0.04 3.06 3.10 1z87A15 TYR 162 HB3 0.02 0.01 0.21 -0.04 2.98 3.17 1z87A15 TYR 162 HD2 0.04 -0.08 -0.09 -0.04 7.15 6.97 1z87A15 TYR 162 HE2 0.03 -0.03 -0.07 -0.04 6.85 6.74 1z87A15 MET 163 H -0.11 0.22 0.18 -0.55 8.47 8.21 1z87A15 MET 163 HA -0.01 0.02 0.41 -0.75 4.52 4.19 1z87A15 MET 163 HB2 -0.07 0.02 0.10 -0.04 2.15 2.15 1z87A15 MET 163 HB3 -0.08 0.02 -0.18 -0.04 2.03 1.74 1z87A15 MET 163 HG2 -0.03 0.08 -0.04 -0.04 2.63 2.60 1z87A15 MET 163 HG3 -0.02 -0.10 0.05 -0.04 2.56 2.45 1z87A15 MET 163 HE3 -0.00 0.02 -0.02 -0.04 2.10 2.05 1z87A15 LYS 164 H -0.01 0.03 0.19 -0.55 8.42 8.07 1z87A15 LYS 164 HA -0.04 0.29 0.88 -0.75 4.32 4.69 1z87A15 LYS 164 HB2 0.01 -0.02 0.05 -0.04 1.87 1.87 1z87A15 LYS 164 HB3 0.02 0.02 0.08 -0.04 1.79 1.86 1z87A15 LYS 164 HG2 0.09 0.08 -0.07 -0.04 1.46 1.52 1z87A15 LYS 164 HG3 0.05 -0.02 -0.03 -0.04 1.46 1.43 1z87A15 LYS 164 HD2 0.03 -0.03 0.01 -0.04 1.69 1.66 1z87A15 LYS 164 HD3 0.05 0.02 0.00 -0.04 1.68 1.71 1z87A15 LYS 164 HE2 0.03 -0.01 0.01 -0.04 2.99 2.98 1z87A15 LYS 164 HE3 0.05 0.05 0.01 -0.04 2.99 3.06 1z87A15 GLU 165 H -0.02 -0.03 0.07 -0.55 8.60 8.08 1z87A15 GLU 165 HA -0.01 0.17 0.58 -0.75 4.29 4.27 1z87A15 GLU 165 HB2 -0.01 0.06 0.18 -0.04 2.09 2.28 1z87A15 GLU 165 HB3 -0.00 0.00 0.11 -0.04 1.99 2.05 1z87A15 GLU 165 HG2 -0.01 -0.07 0.11 -0.04 2.34 2.34 1z87A15 GLU 165 HG3 -0.02 0.02 0.06 -0.04 2.34 2.35 1z87A15 VAL 166 H -0.04 0.37 -0.48 -0.55 8.24 7.54 1z87A15 VAL 166 HA -0.04 0.17 0.78 -0.75 4.13 4.28 1z87A15 VAL 166 HB -0.10 0.07 -0.13 -0.04 2.12 1.93 1z87A15 VAL 166 HG13 -0.07 0.00 -0.08 -0.04 0.97 0.79 1z87A15 VAL 166 HG23 -0.07 -0.04 -0.42 -0.04 0.95 0.38 1z87A15 SER 167 H -0.06 0.08 -0.05 -0.55 8.46 7.89 1z87A15 SER 167 HA -0.04 0.13 0.65 -0.75 4.49 4.48 1z87A15 SER 167 HB2 -0.10 -0.04 0.05 -0.04 3.95 3.81 1z87A15 SER 167 HB3 -0.11 0.06 0.12 -0.04 3.93 3.97 1z87A15 PRO 168 HA 0.03 0.08 0.51 -0.51 4.44 4.55 1z87A15 PRO 168 HB2 0.12 -0.02 0.03 -0.04 2.28 2.37 1z87A15 PRO 168 HB3 0.04 0.03 0.13 -0.04 2.02 2.18 1z87A15 PRO 168 HG2 0.08 0.02 -0.02 -0.04 2.03 2.07 1z87A15 PRO 168 HG3 0.04 0.01 0.02 -0.04 2.03 2.05 1z87A15 PRO 168 HD2 0.01 0.15 0.05 -0.04 3.68 3.84 1z87A15 PRO 168 HD3 0.00 0.03 -0.02 -0.04 3.65 3.62 1z87A15 TYR 169 H 0.02 0.03 0.15 -0.55 8.29 7.94 1z87A15 TYR 169 HA 0.01 -0.03 0.33 -0.75 4.56 4.11 1z87A15 TYR 169 HB2 0.03 0.03 -0.49 -0.04 3.06 2.59 1z87A15 TYR 169 HB3 0.06 0.01 0.18 -0.04 2.98 3.19 1z87A15 TYR 169 HD2 -0.02 -0.09 0.04 -0.04 7.15 7.04 1z87A15 TYR 169 HE2 -0.03 0.01 0.01 -0.04 6.85 6.79 1z87A15 PHE 170 H 0.40 0.03 0.16 -0.55 8.34 8.38 1z87A15 PHE 170 HA 0.05 -0.01 0.35 -0.75 4.62 4.25 1z87A15 PHE 170 HB2 0.03 0.09 -0.44 -0.04 3.15 2.79 1z87A15 PHE 170 HB3 -0.01 0.08 0.34 -0.04 3.06 3.43 1z87A15 PHE 170 HD2 -0.01 0.00 0.04 -0.04 7.28 7.27 1z87A15 PHE 170 HE2 -0.01 -0.03 0.00 -0.04 7.38 7.31 1z87A15 PHE 170 HZ -0.01 -0.03 0.01 -0.04 7.32 7.24 1z87A15 LYS 171 H -0.01 -0.08 -0.01 -0.55 8.42 7.76 1z87A15 LYS 171 HA -0.06 0.23 0.65 -0.75 4.32 4.39 1z87A15 LYS 171 HB2 -0.19 -0.03 0.01 -0.04 1.87 1.62 1z87A15 LYS 171 HB3 -0.26 -0.05 0.15 -0.04 1.79 1.58 1z87A15 LYS 171 HG2 -0.11 -0.08 -0.23 -0.04 1.46 0.99 1z87A15 LYS 171 HG3 -0.18 -0.01 -0.02 -0.04 1.46 1.21 1z87A15 LYS 171 HD2 -0.07 -0.01 -0.03 -0.04 1.69 1.54 1z87A15 LYS 171 HD3 -0.10 -0.02 0.03 -0.04 1.68 1.55 1z87A15 LYS 171 HE2 0.01 0.07 -0.58 -0.04 2.99 2.45 1z87A15 LYS 171 HE3 -0.02 0.00 -0.13 -0.04 2.99 2.80 1z87A15 ASN 172 H -0.32 0.11 0.14 -0.55 8.53 7.90 1z87A15 ASN 172 HA -0.19 0.08 0.55 -0.75 4.76 4.45 1z87A15 ASN 172 HB2 -0.89 -0.01 0.15 -0.04 2.88 2.09 1z87A15 ASN 172 HB3 -0.44 0.03 0.06 -0.04 2.79 2.40 1z87A15 ASN 172 HD21 -0.03 -0.03 0.05 -0.04 7.03 6.98 1z87A15 ASN 172 HD22 0.06 0.05 0.00 -0.04 7.74 7.81 1z87A15 SER 173 H -0.16 0.08 0.18 -0.55 8.46 8.01 1z87A15 SER 173 HA -0.15 0.04 0.40 -0.75 4.49 4.03 1z87A15 SER 173 HB2 -0.07 -0.04 0.15 -0.04 3.95 3.95 1z87A15 SER 173 HB3 -0.05 0.14 0.06 -0.04 3.93 4.03 1z87A15 ALA 174 H -0.08 0.09 0.17 -0.55 8.40 8.03 1z87A15 ALA 174 HA 0.01 0.15 0.75 -0.75 4.34 4.49 1z87A15 ALA 174 HB3 -0.02 0.00 0.09 -0.04 1.41 1.44 1z87A15 GLY 175 H 0.08 0.13 0.08 -0.55 8.43 8.17 1z87A15 GLY 175 HA2 0.04 0.09 0.34 -0.51 4.01 3.97 1z87A15 GLY 175 HA3 0.06 0.09 0.43 -0.51 4.01 4.07 1z87A15 GLY 176 H 0.13 0.05 0.07 -0.55 8.43 8.13 1z87A15 GLY 176 HA2 0.08 -0.00 0.35 -0.51 4.01 3.93 1z87A15 GLY 176 HA3 0.06 0.15 0.47 -0.51 4.01 4.17 1z87A15 THR 177 H 0.05 -0.09 -0.01 -0.55 8.28 7.69 1z87A15 THR 177 HA 0.02 0.17 0.47 -0.75 4.39 4.30 1z87A15 THR 177 HB 0.03 0.25 -0.08 -0.04 4.32 4.47 1z87A15 THR 177 HG23 0.04 -0.05 -0.17 -0.04 1.22 1.00 1z87A15 SER 178 H 0.05 -0.10 0.12 -0.55 8.46 7.98 1z87A15 SER 178 HA 0.01 0.31 0.94 -0.75 4.49 5.00 1z87A15 SER 178 HB2 0.03 -0.03 -0.02 -0.04 3.95 3.89 1z87A15 SER 178 HB3 0.04 -0.04 -0.07 -0.04 3.93 3.82 1z87A15 VAL 179 H 0.08 -0.14 0.10 -0.55 8.24 7.73 1z87A15 VAL 179 HA 0.19 -0.06 0.41 -0.75 4.13 3.91 1z87A15 VAL 179 HB -0.39 0.00 -0.00 -0.04 2.12 1.69 1z87A15 VAL 179 HG13 0.11 -0.05 0.01 -0.04 0.97 1.00 1z87A15 VAL 179 HG23 -0.14 0.05 -0.24 -0.04 0.95 0.59 1z87A15 GLY 180 H 0.23 0.09 0.08 -0.55 8.43 8.29 1z87A15 GLY 180 HA2 -0.03 0.32 0.89 -0.51 4.01 4.69 1z87A15 GLY 180 HA3 0.07 0.06 0.31 -0.51 4.01 3.94 1z87A15 TRP 181 H -0.25 0.07 -0.06 -0.55 7.97 7.18 1z87A15 TRP 181 HA 0.02 0.26 0.90 -0.75 4.62 5.06 1z87A15 TRP 181 HB2 0.01 0.05 0.24 -0.04 3.23 3.49 1z87A15 TRP 181 HB3 0.01 0.01 0.06 -0.04 3.23 3.27 1z87A15 TRP 181 HD1 0.00 -0.18 0.06 -0.04 7.22 7.07 1z87A15 TRP 181 HE1 -0.00 -0.09 0.03 -0.04 10.20 10.10 1z87A15 TRP 181 HE3 -0.00 0.03 0.11 -0.04 7.59 7.69 1z87A15 TRP 181 HZ2 -0.01 -0.05 -0.01 -0.04 7.44 7.33 1z87A15 TRP 181 HZ3 -0.01 0.02 0.01 -0.04 7.13 7.11 1z87A15 TRP 181 HH2 -0.01 0.01 -0.01 -0.04 7.19 7.13 1z87A15 ASP 182 H -0.14 0.19 -0.47 -0.55 8.40 7.43 1z87A15 ASP 182 HA -0.20 0.21 0.81 -0.75 4.63 4.70 1z87A15 ASP 182 HB2 -0.31 -0.02 -0.07 -0.04 2.71 2.27 1z87A15 ASP 182 HB3 -0.18 0.09 0.07 -0.04 2.70 2.63 1z87A15 SER 183 H 0.03 0.01 -0.34 -0.55 8.46 7.62 1z87A15 SER 183 HA 0.05 0.03 0.26 -0.75 4.49 4.07 1z87A15 SER 183 HB2 0.01 0.14 -0.30 -0.04 3.95 3.76 1z87A15 SER 183 HB3 0.02 0.01 0.14 -0.04 3.93 4.05 1z87A15 PRO 184 HA -0.02 0.12 0.40 -0.51 4.44 4.42 1z87A15 PRO 184 HB2 0.00 0.10 0.02 -0.04 2.28 2.36 1z87A15 PRO 184 HB3 -0.02 -0.02 0.05 -0.04 2.02 2.00 1z87A15 PRO 184 HG2 0.02 0.03 0.12 -0.04 2.03 2.16 1z87A15 PRO 184 HG3 0.02 0.03 0.09 -0.04 2.03 2.13 1z87A15 PRO 184 HD2 0.04 0.07 0.14 -0.04 3.68 3.89 1z87A15 PRO 184 HD3 0.01 -0.09 -0.02 -0.04 3.65 3.51 1z87A15 PRO 185 HA 0.00 -0.01 0.37 -0.51 4.44 4.29 1z87A15 PRO 185 HB2 -0.01 0.01 0.01 -0.04 2.28 2.25 1z87A15 PRO 185 HB3 -0.01 0.01 0.13 -0.04 2.02 2.11 1z87A15 PRO 185 HG2 -0.01 -0.02 0.11 -0.04 2.03 2.06 1z87A15 PRO 185 HG3 -0.01 0.06 0.14 -0.04 2.03 2.18 1z87A15 PRO 185 HD2 -0.02 0.01 0.21 -0.04 3.68 3.85 1z87A15 PRO 185 HD3 -0.02 0.42 0.42 -0.04 3.65 4.43 1z87A15 ALA 186 H 0.00 0.06 0.18 -0.55 8.40 8.10 1z87A15 ALA 186 HA 0.00 0.17 0.76 -0.75 4.34 4.52 1z87A15 ALA 186 HB3 0.00 0.01 0.04 -0.04 1.41 1.43 1z87A15 SER 187 H 0.00 0.17 0.09 -0.55 8.46 8.18 1z87A15 SER 187 HA -0.00 0.10 0.69 -0.75 4.49 4.53 1z87A15 SER 187 HB2 0.00 -0.03 0.02 -0.04 3.95 3.90 1z87A15 SER 187 HB3 -0.00 0.02 0.02 -0.04 3.93 3.93 1z87A15 PRO 188 HA 0.00 0.05 0.49 -0.51 4.44 4.47 1z87A15 PRO 188 HB2 0.00 0.09 0.12 -0.04 2.28 2.45 1z87A15 PRO 188 HB3 0.00 -0.01 0.15 -0.04 2.02 2.13 1z87A15 PRO 188 HG2 0.00 0.11 0.06 -0.04 2.03 2.17 1z87A15 PRO 188 HG3 0.00 0.07 0.11 -0.04 2.03 2.17 1z87A15 PRO 188 HD2 0.00 -0.07 0.25 -0.04 3.68 3.83 1z87A15 PRO 188 HD3 0.00 0.14 0.18 -0.04 3.65 3.93 1z87A15 LEU 189 H 0.00 0.05 0.18 -0.55 8.37 8.06 1z87A15 LEU 189 HA 0.00 0.12 0.40 -0.75 4.35 4.11 1z87A15 LEU 189 HB2 0.00 -0.05 0.09 -0.04 1.64 1.64 1z87A15 LEU 189 HB3 0.00 0.07 0.14 -0.04 1.64 1.81 1z87A15 LEU 189 HG 0.00 0.01 0.08 -0.04 1.64 1.70 1z87A15 LEU 189 HD13 0.00 0.01 -0.02 -0.04 0.93 0.88 1z87A15 LEU 189 HD23 0.00 0.02 0.08 -0.04 0.89 0.96 1z87A15 GLN 190 H 0.01 0.14 0.10 -0.55 8.47 8.18 1z87A15 GLN 190 HA 0.01 0.25 0.67 -0.75 4.36 4.53 1z87A15 GLN 190 HB2 0.01 -0.01 0.12 -0.04 2.15 2.23 1z87A15 GLN 190 HB3 0.01 -0.01 0.20 -0.04 2.02 2.18 1z87A15 GLN 190 HG2 0.01 0.02 0.03 -0.04 2.40 2.42 1z87A15 GLN 190 HG3 0.01 0.05 -0.02 -0.04 2.39 2.39 1z87A15 GLN 190 HE21 0.01 0.00 0.06 -0.04 6.97 7.00 1z87A15 GLN 190 HE22 0.01 -0.03 0.02 -0.04 7.69 7.66 1z87A15 ARG 191 H 0.01 0.12 -0.62 -0.55 8.46 7.41 1z87A15 ARG 191 HA 0.01 0.20 0.81 -0.75 4.34 4.59 1z87A15 ARG 191 HB2 0.01 -0.05 -0.03 -0.04 1.90 1.79 1z87A15 ARG 191 HB3 0.01 0.01 -0.03 -0.04 1.80 1.74 1z87A15 ARG 191 HG2 0.01 -0.01 -0.06 -0.04 1.67 1.57 1z87A15 ARG 191 HG3 0.01 0.03 0.08 -0.04 1.67 1.74 1z87A15 ARG 191 HD2 0.01 -0.01 -0.02 -0.04 3.22 3.16 1z87A15 ARG 191 HD3 0.01 -0.01 -0.01 -0.04 3.22 3.16 1z87A15 GLN 192 H 0.01 0.18 -0.02 -0.55 8.47 8.09 1z87A15 GLN 192 HA 0.01 0.17 0.51 -0.75 4.36 4.30 1z87A15 GLN 192 HB2 0.01 -0.09 -0.24 -0.04 2.15 1.78 1z87A15 GLN 192 HB3 0.01 -0.06 -0.21 -0.04 2.02 1.71 1z87A15 GLN 192 HG2 0.01 -0.00 0.08 -0.04 2.40 2.44 1z87A15 GLN 192 HG3 0.01 0.27 0.01 -0.04 2.39 2.64 1z87A15 GLN 192 HE21 0.01 0.03 -0.21 -0.04 6.97 6.75 1z87A15 GLN 192 HE22 0.01 -0.02 -0.02 -0.04 7.69 7.61 1z87A15 PRO 193 HA 0.01 0.12 0.44 -0.51 4.44 4.50 1z87A15 PRO 193 HB2 0.01 0.05 -0.02 -0.04 2.28 2.27 1z87A15 PRO 193 HB3 0.01 0.02 0.08 -0.04 2.02 2.09 1z87A15 PRO 193 HG2 0.01 0.06 0.09 -0.04 2.03 2.15 1z87A15 PRO 193 HG3 0.01 0.04 0.06 -0.04 2.03 2.10 1z87A15 PRO 193 HD2 0.01 0.12 0.19 -0.04 3.68 3.96 1z87A15 PRO 193 HD3 0.01 0.15 0.11 -0.04 3.65 3.88 1z87A15 SER 194 H 0.01 0.15 -0.16 -0.55 8.46 7.91 1z87A15 SER 194 HA 0.01 0.06 0.46 -0.75 4.49 4.26 1z87A15 SER 194 HB2 0.01 -0.08 -0.14 -0.04 3.95 3.69 1z87A15 SER 194 HB3 0.01 0.06 -0.07 -0.04 3.93 3.88 1z87A15 SER 195 H 0.00 0.13 0.06 -0.55 8.46 8.10 1z87A15 SER 195 HA 0.00 0.11 0.47 -0.75 4.49 4.32 1z87A15 SER 195 HB2 0.00 -0.03 0.04 -0.04 3.95 3.93 1z87A15 SER 195 HB3 0.00 0.00 0.03 -0.04 3.93 3.92 1z87A15 PRO 196 HA 0.00 0.07 0.42 -0.51 4.44 4.42 1z87A15 PRO 196 HB2 0.00 0.02 0.16 -0.04 2.28 2.43 1z87A15 PRO 196 HB3 0.00 0.02 0.12 -0.04 2.02 2.13 1z87A15 PRO 196 HG2 0.00 0.03 0.16 -0.04 2.03 2.18 1z87A15 PRO 196 HG3 0.00 0.02 0.12 -0.04 2.03 2.13 1z87A15 PRO 196 HD2 0.00 0.05 0.16 -0.04 3.68 3.86 1z87A15 PRO 196 HD3 0.00 0.16 0.22 -0.04 3.65 4.00 1z87A15 GLY 197 H 0.00 0.31 0.11 -0.55 8.43 8.31 1z87A15 GLY 197 HA2 0.00 0.16 0.74 -0.51 4.01 4.39 1z87A15 GLY 197 HA3 0.00 -0.03 0.25 -0.51 4.01 3.73 1z87A15 PRO 198 HA 0.00 0.00 0.37 -0.51 4.44 4.30 1z87A15 PRO 198 HB2 0.00 0.02 -0.08 -0.04 2.28 2.19 1z87A15 PRO 198 HB3 0.00 0.04 0.05 -0.04 2.02 2.07 1z87A15 PRO 198 HG2 0.00 0.02 0.01 -0.04 2.03 2.03 1z87A15 PRO 198 HG3 0.00 0.02 0.02 -0.04 2.03 2.03 1z87A15 PRO 198 HD2 0.00 0.12 0.06 -0.04 3.68 3.82 1z87A15 PRO 198 HD3 0.00 0.05 -0.18 -0.04 3.65 3.48 1z87A15 GLN 199 H 0.00 0.09 0.15 -0.55 8.47 8.17 1z87A15 GLN 199 HA 0.00 0.18 0.73 -0.75 4.36 4.51 1z87A15 GLN 199 HB2 0.00 -0.00 0.03 -0.04 2.15 2.14 1z87A15 GLN 199 HB3 0.00 0.04 0.04 -0.04 2.02 2.06 1z87A15 GLN 199 HG2 0.00 0.10 -0.01 -0.04 2.40 2.45 1z87A15 GLN 199 HG3 0.00 -0.04 0.07 -0.04 2.39 2.38 1z87A15 GLN 199 HE21 0.00 -0.00 0.02 -0.04 6.97 6.95 1z87A15 GLN 199 HE22 0.00 -0.00 0.04 -0.04 7.69 7.69 1z87A15 PRO 200 HA 0.00 0.10 0.46 -0.51 4.44 4.49 1z87A15 PRO 200 HB2 0.00 -0.00 -0.01 -0.04 2.28 2.23 1z87A15 PRO 200 HB3 0.00 0.03 0.07 -0.04 2.02 2.08 1z87A15 PRO 200 HG2 0.01 -0.04 0.15 -0.04 2.03 2.10 1z87A15 PRO 200 HG3 0.00 0.04 0.10 -0.04 2.03 2.13 1z87A15 PRO 200 HD2 0.00 0.10 0.26 -0.04 3.68 4.00 1z87A15 PRO 200 HD3 0.00 0.29 0.26 -0.04 3.65 4.16 1z87A15 ARG 201 H 0.00 0.14 0.02 -0.55 8.46 8.07 1z87A15 ARG 201 HA 0.00 0.14 0.85 -0.75 4.34 4.58 1z87A15 ARG 201 HB2 0.01 -0.04 0.07 -0.04 1.90 1.90 1z87A15 ARG 201 HB3 0.01 0.02 0.14 -0.04 1.80 1.93 1z87A15 ARG 201 HG2 0.01 -0.00 -0.10 -0.04 1.67 1.53 1z87A15 ARG 201 HG3 0.01 0.02 0.00 -0.04 1.67 1.66 1z87A15 ARG 201 HD2 0.01 -0.01 0.00 -0.04 3.22 3.18 1z87A15 ARG 201 HD3 0.02 0.00 -0.02 -0.04 3.22 3.18 1z87A15 ASN 202 H -0.00 0.27 0.10 -0.55 8.53 8.35 1z87A15 ASN 202 HA -0.00 -0.03 0.40 -0.75 4.76 4.38 1z87A15 ASN 202 HB2 0.00 -0.05 -0.55 -0.04 2.88 2.24 1z87A15 ASN 202 HB3 -0.00 0.13 -0.11 -0.04 2.79 2.77 1z87A15 ASN 202 HD21 -0.00 0.19 0.10 -0.04 7.03 7.27 1z87A15 ASN 202 HD22 -0.00 -0.16 0.07 -0.04 7.74 7.60 1z87A15 LEU 203 H -0.01 0.09 0.07 -0.55 8.37 7.98 1z87A15 LEU 203 HA -0.01 0.06 0.32 -0.75 4.35 3.97 1z87A15 LEU 203 HB2 -0.01 0.04 0.05 -0.04 1.64 1.67 1z87A15 LEU 203 HB3 -0.01 -0.12 -0.02 -0.04 1.64 1.45 1z87A15 LEU 203 HG -0.02 0.04 -0.00 -0.04 1.64 1.62 1z87A15 LEU 203 HD13 -0.02 0.01 -0.11 -0.04 0.93 0.76 1z87A15 LEU 203 HD23 -0.02 -0.01 -0.01 -0.04 0.89 0.81 1z87A15 SER 204 H -0.01 0.02 0.09 -0.55 8.46 8.01 1z87A15 SER 204 HA -0.00 0.21 0.57 -0.75 4.49 4.51 1z87A15 SER 204 HB2 -0.00 -0.11 0.19 -0.04 3.95 3.98 1z87A15 SER 204 HB3 -0.00 0.05 0.10 -0.04 3.93 4.04 1z87A15 GLU 205 H -0.01 -0.04 0.12 -0.55 8.60 8.12 1z87A15 GLU 205 HA -0.01 0.23 0.66 -0.75 4.29 4.42 1z87A15 GLU 205 HB2 -0.00 -0.04 0.05 -0.04 2.09 2.05 1z87A15 GLU 205 HB3 -0.00 0.03 0.04 -0.04 1.99 2.02 1z87A15 GLU 205 HG2 -0.00 0.35 -0.54 -0.04 2.34 2.11 1z87A15 GLU 205 HG3 -0.00 -0.10 -0.23 -0.04 2.34 1.97 1z87A15 ALA 206 H -0.01 0.14 0.28 -0.55 8.40 8.26 1z87A15 ALA 206 HA -0.04 0.14 0.52 -0.75 4.34 4.21 1z87A15 ALA 206 HB3 -0.06 -0.05 0.04 -0.04 1.41 1.30 1z87A15 LYS 207 H -0.07 0.50 0.32 -0.55 8.42 8.62 1z87A15 LYS 207 HA 0.00 0.16 0.92 -0.75 4.32 4.64 1z87A15 LYS 207 HB2 -0.03 -0.03 0.01 -0.04 1.87 1.78 1z87A15 LYS 207 HB3 -0.01 0.00 0.06 -0.04 1.79 1.80 1z87A15 LYS 207 HG2 0.00 0.02 0.07 -0.04 1.46 1.51 1z87A15 LYS 207 HG3 -0.01 0.10 -0.04 -0.04 1.46 1.47 1z87A15 LYS 207 HD2 -0.02 -0.00 -0.05 -0.04 1.69 1.58 1z87A15 LYS 207 HD3 -0.02 -0.03 -0.05 -0.04 1.68 1.54 1z87A15 LYS 207 HE2 -0.01 0.03 -0.01 -0.04 2.99 2.96 1z87A15 LYS 207 HE3 -0.00 -0.06 -0.02 -0.04 2.99 2.87 1z87A15 HIS 208 H 0.09 0.18 0.13 -0.55 8.41 8.26 1z87A15 HIS 208 HA -0.01 0.31 0.95 -0.75 4.63 5.13 1z87A15 HIS 208 HB2 -0.00 -0.01 0.04 -0.04 3.26 3.25 1z87A15 HIS 208 HB3 0.00 0.01 -0.10 -0.04 3.20 3.07 1z87A15 HIS 208 HD2 0.00 0.02 -0.50 -0.04 6.97 6.45 1z87A15 HIS 208 HE1 0.01 0.04 -0.12 -0.04 7.75 7.63 1z87A15 VAL 209 H 0.26 0.44 0.23 -0.55 8.24 8.62 1z87A15 VAL 209 HA 0.04 0.13 0.85 -0.75 4.13 4.40 1z87A15 VAL 209 HB 0.05 0.07 0.09 -0.04 2.12 2.30 1z87A15 VAL 209 HG13 0.03 -0.05 0.04 -0.04 0.97 0.95 1z87A15 VAL 209 HG23 0.04 0.11 -0.31 -0.04 0.95 0.74 1z87A15 SER 210 H 0.01 0.19 0.15 -0.55 8.46 8.26 1z87A15 SER 210 HA -0.03 0.26 0.50 -0.75 4.49 4.47 1z87A15 SER 210 HB2 -0.00 -0.12 0.11 -0.04 3.95 3.89 1z87A15 SER 210 HB3 -0.01 0.12 0.14 -0.04 3.93 4.14 1z87A15 LEU 211 H 0.02 -0.05 -0.37 -0.55 8.37 7.43 1z87A15 LEU 211 HA 0.03 -0.15 0.26 -0.75 4.35 3.73 1z87A15 LEU 211 HB2 0.03 -0.02 0.08 -0.04 1.64 1.69 1z87A15 LEU 211 HB3 0.04 -0.01 -0.15 -0.04 1.64 1.47 1z87A15 LEU 211 HG 0.02 0.38 -0.16 -0.04 1.64 1.84 1z87A15 LEU 211 HD13 0.03 0.03 -0.05 -0.04 0.93 0.89 1z87A15 LEU 211 HD23 0.04 0.01 -0.46 -0.04 0.89 0.44 1z87A15 LYS 212 H 0.01 -0.08 -0.54 -0.55 8.42 7.26 1z87A15 LYS 212 HA 0.00 0.24 0.42 -0.75 4.32 4.23 1z87A15 LYS 212 HB2 0.01 -0.10 -0.00 -0.04 1.87 1.73 1z87A15 LYS 212 HB3 0.00 0.08 0.05 -0.04 1.79 1.88 1z87A15 LYS 212 HG2 -0.00 -0.04 -0.08 -0.04 1.46 1.30 1z87A15 LYS 212 HG3 -0.00 -0.04 0.01 -0.04 1.46 1.39 1z87A15 LYS 212 HD2 -0.00 0.08 0.07 -0.04 1.69 1.79 1z87A15 LYS 212 HD3 -0.01 0.05 0.06 -0.04 1.68 1.74 1z87A15 LYS 212 HE2 -0.01 -0.01 0.03 -0.04 2.99 2.96 1z87A15 LYS 212 HE3 -0.00 -0.05 0.02 -0.04 2.99 2.92 1z87A15 MET 213 H 0.02 -0.15 -0.29 -0.55 8.47 7.50 1z87A15 MET 213 HA 0.01 0.31 0.67 -0.75 4.52 4.76 1z87A15 MET 213 HB2 0.02 -0.09 -0.08 -0.04 2.15 1.95 1z87A15 MET 213 HB3 0.04 -0.04 0.19 -0.04 2.03 2.18 1z87A15 MET 213 HG2 0.01 0.14 0.14 -0.04 2.63 2.87 1z87A15 MET 213 HG3 0.01 0.00 -0.12 -0.04 2.56 2.41 1z87A15 MET 213 HE3 0.06 0.00 0.05 -0.04 2.10 2.17 1z87A15 ALA 214 H 0.02 0.17 -0.25 -0.55 8.40 7.79 1z87A15 ALA 214 HA 0.07 -0.02 0.63 -0.75 4.34 4.26 1z87A15 ALA 214 HB3 0.04 0.01 -0.01 -0.04 1.41 1.41 1z87A15 TYR 215 H 0.15 0.26 0.35 -0.55 8.29 8.50 1z87A15 TYR 215 HA 0.03 0.19 0.95 -0.75 4.56 4.97 1z87A15 TYR 215 HB2 0.02 0.04 0.01 -0.04 3.06 3.09 1z87A15 TYR 215 HB3 0.02 -0.03 0.02 -0.04 2.98 2.95 1z87A15 TYR 215 HD2 0.02 0.06 -0.11 -0.04 7.15 7.08 1z87A15 TYR 215 HE2 0.02 0.04 0.02 -0.04 6.85 6.89 1z87A15 VAL 216 H 0.04 0.19 0.15 -0.55 8.24 8.07 1z87A15 VAL 216 HA 0.14 0.37 1.03 -0.75 4.13 4.92 1z87A15 VAL 216 HB 0.10 -0.03 -0.02 -0.04 2.12 2.13 1z87A15 VAL 216 HG13 0.05 0.01 -0.17 -0.04 0.97 0.81 1z87A15 VAL 216 HG23 0.04 0.00 0.08 -0.04 0.95 1.03 1z87A15 SER 217 H 0.14 0.64 0.39 -0.55 8.46 9.08 1z87A15 SER 217 HA 0.14 0.16 0.97 -0.75 4.49 5.01 1z87A15 SER 217 HB2 0.07 -0.04 0.02 -0.04 3.95 3.97 1z87A15 SER 217 HB3 0.04 0.03 0.01 -0.04 3.93 3.97 1z87A15 ARG 218 H 0.10 0.19 0.10 -0.55 8.46 8.30 1z87A15 ARG 218 HA 0.14 0.33 0.84 -0.75 4.34 4.90 1z87A15 ARG 218 HB2 0.08 0.00 0.18 -0.04 1.90 2.12 1z87A15 ARG 218 HB3 0.09 0.00 -0.01 -0.04 1.80 1.84 1z87A15 ARG 218 HG2 0.10 -0.03 -0.18 -0.04 1.67 1.52 1z87A15 ARG 218 HG3 0.09 0.02 -0.01 -0.04 1.67 1.72 1z87A15 ARG 218 HD2 0.07 0.01 -0.03 -0.04 3.22 3.22 1z87A15 ARG 218 HD3 0.07 -0.02 -0.07 -0.04 3.22 3.16 1z87A15 ARG 219 H 0.19 0.62 0.28 -0.55 8.46 9.00 1z87A15 ARG 219 HA 0.08 0.14 0.73 -0.75 4.34 4.54 1z87A15 ARG 219 HB2 0.16 0.02 0.03 -0.04 1.90 2.08 1z87A15 ARG 219 HB3 0.06 0.02 0.10 -0.04 1.80 1.94 1z87A15 ARG 219 HG2 0.04 0.00 -0.14 -0.04 1.67 1.53 1z87A15 ARG 219 HG3 0.06 0.04 -0.10 -0.04 1.67 1.63 1z87A15 ARG 219 HD2 -0.02 0.01 0.00 -0.04 3.22 3.18 1z87A15 ARG 219 HD3 -0.03 -0.01 -0.05 -0.04 3.22 3.09 1z87A15 CYS 220 H 0.08 0.17 0.18 -0.55 8.50 8.38 1z87A15 CYS 220 HA 0.16 0.18 0.96 -0.75 4.58 5.13 1z87A15 CYS 220 HB2 0.06 -0.02 0.02 -0.04 2.97 2.99 1z87A15 CYS 220 HB3 0.07 0.05 0.03 -0.04 2.97 3.08 1z87A15 THR 221 H 0.15 0.30 0.14 -0.55 8.28 8.32 1z87A15 THR 221 HA 0.06 0.20 0.69 -0.75 4.39 4.58 1z87A15 THR 221 HB 0.15 -0.08 -0.15 -0.04 4.32 4.20 1z87A15 THR 221 HG23 0.01 0.01 0.01 -0.04 1.22 1.21 1z87A15 PRO 222 HA 0.02 0.10 0.34 -0.51 4.44 4.39 1z87A15 PRO 222 HB2 0.01 0.05 -0.05 -0.04 2.28 2.25 1z87A15 PRO 222 HB3 0.01 0.04 0.10 -0.04 2.02 2.14 1z87A15 PRO 222 HG2 0.02 0.02 0.04 -0.04 2.03 2.07 1z87A15 PRO 222 HG3 0.02 0.07 0.06 -0.04 2.03 2.13 1z87A15 PRO 222 HD2 0.03 0.12 0.22 -0.04 3.68 4.01 1z87A15 PRO 222 HD3 0.03 0.16 0.12 -0.04 3.65 3.92 1z87A15 THR 223 H 0.03 0.02 -0.69 -0.55 8.28 7.09 1z87A15 THR 223 HA -0.02 0.18 0.65 -0.75 4.39 4.45 1z87A15 THR 223 HB -0.08 -0.02 -0.02 -0.04 4.32 4.16 1z87A15 THR 223 HG23 -0.08 0.00 -0.11 -0.04 1.22 1.00 1z87A15 ASP 224 H 0.04 0.32 -0.62 -0.55 8.40 7.60 1z87A15 ASP 224 HA 0.00 0.20 0.91 -0.75 4.63 4.99 1z87A15 ASP 224 HB2 0.09 0.09 0.21 -0.04 2.71 3.07 1z87A15 ASP 224 HB3 0.05 0.13 0.02 -0.04 2.70 2.87 1z87A15 PRO 225 HA -0.00 0.06 0.34 -0.51 4.44 4.32 1z87A15 PRO 225 HB2 -0.02 -0.02 -0.01 -0.04 2.28 2.19 1z87A15 PRO 225 HB3 -0.01 0.01 0.10 -0.04 2.02 2.07 1z87A15 PRO 225 HG2 -0.03 0.04 0.05 -0.04 2.03 2.04 1z87A15 PRO 225 HG3 -0.02 0.03 0.01 -0.04 2.03 2.00 1z87A15 PRO 225 HD2 -0.04 0.10 0.15 -0.04 3.68 3.86 1z87A15 PRO 225 HD3 -0.02 0.27 -0.35 -0.04 3.65 3.50 1z87A15 GLU 226 H -0.01 0.08 -0.62 -0.55 8.60 7.51 1z87A15 GLU 226 HA 0.01 0.09 0.40 -0.75 4.29 4.04 1z87A15 GLU 226 HB2 -0.01 -0.03 -0.40 -0.04 2.09 1.62 1z87A15 GLU 226 HB3 -0.01 -0.13 0.00 -0.04 1.99 1.81 1z87A15 GLU 226 HG2 0.00 -0.11 0.02 -0.04 2.34 2.21 1z87A15 GLU 226 HG3 0.00 0.10 0.20 -0.04 2.34 2.60 1z87A15 PRO 227 HA -0.01 -0.07 0.38 -0.51 4.44 4.23 1z87A15 PRO 227 HB2 -0.09 0.15 -0.19 -0.04 2.28 2.11 1z87A15 PRO 227 HB3 -0.03 -0.07 -0.61 -0.04 2.02 1.27 1z87A15 PRO 227 HG2 -0.08 0.09 0.00 -0.04 2.03 2.00 1z87A15 PRO 227 HG3 -0.04 0.15 -0.09 -0.04 2.03 2.01 1z87A15 PRO 227 HD2 -0.03 0.03 0.10 -0.04 3.68 3.74 1z87A15 PRO 227 HD3 -0.02 -0.02 0.09 -0.04 3.65 3.65 1z87A15 ARG 228 H 0.01 0.01 0.19 -0.55 8.46 8.11 1z87A15 ARG 228 HA 0.07 0.21 0.77 -0.75 4.34 4.64 1z87A15 ARG 228 HB2 0.05 -0.09 0.08 -0.04 1.90 1.90 1z87A15 ARG 228 HB3 0.10 0.02 -0.06 -0.04 1.80 1.82 1z87A15 ARG 228 HG2 0.08 0.06 -0.15 -0.04 1.67 1.62 1z87A15 ARG 228 HG3 0.07 0.05 -0.02 -0.04 1.67 1.73 1z87A15 ARG 228 HD2 0.05 0.01 -0.05 -0.04 3.22 3.19 1z87A15 ARG 228 HD3 0.04 -0.01 -0.01 -0.04 3.22 3.19 1z87A15 TYR 229 H 0.27 0.58 0.20 -0.55 8.29 8.79 1z87A15 TYR 229 HA 0.08 0.11 0.72 -0.75 4.56 4.71 1z87A15 TYR 229 HB2 0.21 0.02 -0.02 -0.04 3.06 3.23 1z87A15 TYR 229 HB3 0.40 0.01 -0.15 -0.04 2.98 3.20 1z87A15 TYR 229 HD2 0.00 -0.00 -0.25 -0.04 7.15 6.86 1z87A15 TYR 229 HE2 0.10 0.01 -0.17 -0.04 6.85 6.75 1z87A15 LEU 230 H 0.08 0.48 0.42 -0.55 8.37 8.80 1z87A15 LEU 230 HA 0.14 0.07 0.61 -0.75 4.35 4.41 1z87A15 LEU 230 HB2 0.01 0.12 0.25 -0.04 1.64 1.97 1z87A15 LEU 230 HB3 0.04 -0.03 -0.04 -0.04 1.64 1.57 1z87A15 LEU 230 HG 0.10 0.01 -0.02 -0.04 1.64 1.68 1z87A15 LEU 230 HD13 0.15 0.01 0.01 -0.04 0.93 1.05 1z87A15 LEU 230 HD23 0.11 -0.01 -0.06 -0.04 0.89 0.89 1z87A15 GLU 231 H 0.15 0.41 0.36 -0.55 8.60 8.97 1z87A15 GLU 231 HA 0.23 0.11 1.08 -0.75 4.29 4.96 1z87A15 GLU 231 HB2 0.17 0.04 0.03 -0.04 2.09 2.29 1z87A15 GLU 231 HB3 0.11 -0.11 0.26 -0.04 1.99 2.21 1z87A15 GLU 231 HG2 0.05 -0.02 -0.21 -0.04 2.34 2.12 1z87A15 GLU 231 HG3 0.12 0.01 -0.08 -0.04 2.34 2.34 1z87A15 ILE 232 H 0.10 0.74 0.31 -0.55 8.25 8.86 1z87A15 ILE 232 HA 0.09 0.34 1.02 -0.75 4.18 4.87 1z87A15 ILE 232 HB 0.03 -0.05 0.19 -0.04 1.89 2.02 1z87A15 ILE 232 HG12 0.03 -0.01 -0.13 -0.04 1.49 1.34 1z87A15 ILE 232 HG13 0.03 -0.02 -0.16 -0.04 1.21 1.03 1z87A15 ILE 232 HG23 0.04 -0.04 -0.09 -0.04 0.93 0.80 1z87A15 ILE 232 HD13 -0.05 -0.01 -0.09 -0.04 0.88 0.68 1z87A15 CYS 233 H 0.09 0.38 0.27 -0.55 8.50 8.69 1z87A15 CYS 233 HA 0.04 0.23 0.93 -0.75 4.58 5.02 1z87A15 CYS 233 HB2 0.05 0.09 -0.15 -0.04 2.97 2.92 1z87A15 CYS 233 HB3 0.06 -0.09 0.15 -0.04 2.97 3.05 1z87A15 ALA 234 H 0.03 0.40 0.03 -0.55 8.40 8.32 1z87A15 ALA 234 HA 0.04 0.01 0.50 -0.75 4.34 4.14 1z87A15 ALA 234 HB3 0.02 0.00 0.16 -0.04 1.41 1.56 1z87A15 ALA 235 H 0.06 0.34 0.11 -0.55 8.40 8.37 1z87A15 ALA 235 HA 0.06 0.25 0.28 -0.75 4.34 4.17 1z87A15 ALA 235 HB3 0.03 0.01 -0.11 -0.04 1.41 1.30 1z87A15 ASP 236 H 0.04 0.05 -0.88 -0.55 8.40 7.06 1z87A15 ASP 236 HA 0.01 -0.01 0.16 -0.75 4.63 4.03 1z87A15 ASP 236 HB2 0.00 -0.03 -0.13 -0.04 2.71 2.51 1z87A15 ASP 236 HB3 0.00 0.14 -0.03 -0.04 2.70 2.77 1z87A15 GLY 237 H 0.01 0.27 -0.48 -0.55 8.43 7.69 1z87A15 GLY 237 HA2 0.00 0.09 0.46 -0.51 4.01 4.05 1z87A15 GLY 237 HA3 0.01 0.08 0.31 -0.51 4.01 3.89 1z87A15 GLN 238 H 0.01 0.01 0.08 -0.55 8.47 8.03 1z87A15 GLN 238 HA 0.01 0.20 0.77 -0.75 4.36 4.58 1z87A15 GLN 238 HB2 0.01 -0.19 0.15 -0.04 2.15 2.09 1z87A15 GLN 238 HB3 0.01 0.00 0.08 -0.04 2.02 2.07 1z87A15 GLN 238 HG2 0.01 0.34 -0.54 -0.04 2.40 2.16 1z87A15 GLN 238 HG3 0.01 0.15 -0.28 -0.04 2.39 2.24 1z87A15 GLN 238 HE21 0.02 -0.13 -0.10 -0.04 6.97 6.71 1z87A15 GLN 238 HE22 0.01 -0.02 -0.04 -0.04 7.69 7.60 1z87A15 ASP 239 H 0.02 0.11 0.31 -0.55 8.40 8.29 1z87A15 ASP 239 HA 0.01 0.30 0.82 -0.75 4.63 5.01 1z87A15 ASP 239 HB2 0.02 0.00 -0.09 -0.04 2.71 2.59 1z87A15 ASP 239 HB3 0.02 -0.09 -0.03 -0.04 2.70 2.56 1z87A15 ALA 240 H 0.01 0.22 0.02 -0.55 8.40 8.11 1z87A15 ALA 240 HA 0.03 0.24 0.74 -0.75 4.34 4.59 1z87A15 ALA 240 HB3 0.00 0.01 0.02 -0.04 1.41 1.41 1z87A15 VAL 241 H 0.04 0.27 0.17 -0.55 8.24 8.17 1z87A15 VAL 241 HA 0.06 0.19 1.05 -0.75 4.13 4.68 1z87A15 VAL 241 HB -0.02 0.05 -0.09 -0.04 2.12 2.02 1z87A15 VAL 241 HG13 -0.01 0.01 -0.02 -0.04 0.97 0.92 1z87A15 VAL 241 HG23 0.00 -0.02 -0.02 -0.04 0.95 0.87 1z87A15 PHE 242 H 0.22 0.22 0.23 -0.55 8.34 8.46 1z87A15 PHE 242 HA 0.03 0.29 1.24 -0.75 4.62 5.43 1z87A15 PHE 242 HB2 0.05 0.04 0.07 -0.04 3.15 3.28 1z87A15 PHE 242 HB3 -0.01 -0.06 -0.00 -0.04 3.06 2.95 1z87A15 PHE 242 HD2 0.03 -0.01 -0.04 -0.04 7.28 7.22 1z87A15 PHE 242 HE2 -0.42 -0.04 -0.06 -0.04 7.38 6.81 1z87A15 PHE 242 HZ -0.15 -0.02 -0.10 -0.04 7.32 7.00 1z87A15 LEU 243 H -0.06 0.72 0.40 -0.55 8.37 8.89 1z87A15 LEU 243 HA -0.42 0.27 0.77 -0.75 4.35 4.21 1z87A15 LEU 243 HB2 -0.16 -0.12 0.05 -0.04 1.64 1.37 1z87A15 LEU 243 HB3 -0.19 0.06 -0.13 -0.04 1.64 1.34 1z87A15 LEU 243 HG -0.23 0.01 -0.20 -0.04 1.64 1.18 1z87A15 LEU 243 HD13 -0.12 0.04 -0.46 -0.04 0.93 0.36 1z87A15 LEU 243 HD23 -0.21 0.01 -0.15 -0.04 0.89 0.50 1z87A15 ARG 244 H -0.11 0.33 0.38 -0.55 8.46 8.50 1z87A15 ARG 244 HA -0.21 0.11 1.09 -0.75 4.34 4.57 1z87A15 ARG 244 HB2 -1.49 -0.03 -0.09 -0.04 1.90 0.24 1z87A15 ARG 244 HB3 -0.49 -0.03 0.10 -0.04 1.80 1.34 1z87A15 ARG 244 HG2 -0.26 -0.06 -0.02 -0.04 1.67 1.29 1z87A15 ARG 244 HG3 -0.59 0.01 -0.19 -0.04 1.67 0.85 1z87A15 ARG 244 HD2 -0.30 -0.09 -0.06 -0.04 3.22 2.74 1z87A15 ARG 244 HD3 -0.17 0.01 -0.26 -0.04 3.22 2.76 1z87A15 ALA 245 H -0.06 0.13 0.15 -0.55 8.40 8.07 1z87A15 ALA 245 HA 0.04 0.24 0.64 -0.75 4.34 4.51 1z87A15 ALA 245 HB3 0.27 -0.01 -0.04 -0.04 1.41 1.59 1z87A15 LYS 246 H 0.09 0.11 0.17 -0.55 8.42 8.23 1z87A15 LYS 246 HA -0.01 0.15 0.45 -0.75 4.32 4.15 1z87A15 LYS 246 HB2 0.03 0.09 0.19 -0.04 1.87 2.14 1z87A15 LYS 246 HB3 0.02 -0.18 0.21 -0.04 1.79 1.80 1z87A15 LYS 246 HG2 0.00 -0.05 -0.04 -0.04 1.46 1.33 1z87A15 LYS 246 HG3 -0.01 0.04 0.00 -0.04 1.46 1.45 1z87A15 LYS 246 HD2 0.01 -0.01 0.04 -0.04 1.69 1.70 1z87A15 LYS 246 HD3 0.00 0.02 0.01 -0.04 1.68 1.66 1z87A15 LYS 246 HE2 -0.01 -0.00 0.02 -0.04 2.99 2.96 1z87A15 LYS 246 HE3 0.01 0.03 0.01 -0.04 2.99 3.00 1z87A15 ASP 247 H 0.02 -0.03 0.06 -0.55 8.40 7.90 1z87A15 ASP 247 HA -0.02 0.37 0.91 -0.75 4.63 5.14 1z87A15 ASP 247 HB2 -0.01 -0.06 0.11 -0.04 2.71 2.71 1z87A15 ASP 247 HB3 -0.01 -0.17 0.21 -0.04 2.70 2.69 1z87A15 GLU 248 H -0.01 0.25 0.17 -0.55 8.60 8.46 1z87A15 GLU 248 HA 0.00 0.10 0.54 -0.75 4.29 4.17 1z87A15 GLU 248 HB2 0.00 0.08 -0.01 -0.04 2.09 2.12 1z87A15 GLU 248 HB3 -0.00 0.08 -0.04 -0.04 1.99 1.98 1z87A15 GLU 248 HG2 -0.01 -0.18 0.07 -0.04 2.34 2.18 1z87A15 GLU 248 HG3 -0.00 0.10 -0.04 -0.04 2.34 2.36 1z87A15 ALA 249 H -0.01 0.10 -0.06 -0.55 8.40 7.88 1z87A15 ALA 249 HA -0.02 0.17 0.50 -0.75 4.34 4.24 1z87A15 ALA 249 HB3 -0.03 0.06 0.05 -0.04 1.41 1.45 1z87A15 SER 250 H -0.01 0.04 -0.22 -0.55 8.46 7.72 1z87A15 SER 250 HA -0.16 0.15 0.35 -0.75 4.49 4.09 1z87A15 SER 250 HB2 -0.01 0.06 0.13 -0.04 3.95 4.10 1z87A15 SER 250 HB3 0.06 -0.02 0.11 -0.04 3.93 4.04 1z87A15 ALA 251 H 0.06 0.23 -0.54 -0.55 8.40 7.61 1z87A15 ALA 251 HA 0.35 0.08 0.59 -0.75 4.34 4.62 1z87A15 ALA 251 HB3 0.08 0.06 0.14 -0.04 1.41 1.64 1z87A15 ARG 252 H 0.03 0.27 -0.20 -0.55 8.46 8.01 1z87A15 ARG 252 HA 0.04 0.04 0.45 -0.75 4.34 4.11 1z87A15 ARG 252 HB2 0.01 0.10 0.19 -0.04 1.90 2.16 1z87A15 ARG 252 HB3 -0.02 0.06 0.17 -0.04 1.80 1.98 1z87A15 ARG 252 HG2 -0.00 0.01 -0.04 -0.04 1.67 1.60 1z87A15 ARG 252 HG3 0.01 -0.01 0.06 -0.04 1.67 1.69 1z87A15 ARG 252 HD2 -0.01 -0.03 -0.01 -0.04 3.22 3.13 1z87A15 ARG 252 HD3 -0.00 0.02 -0.02 -0.04 3.22 3.18 1z87A15 SER 253 H -0.06 0.58 -0.23 -0.55 8.46 8.20 1z87A15 SER 253 HA -0.08 0.10 0.48 -0.75 4.49 4.24 1z87A15 SER 253 HB2 -0.21 0.07 0.08 -0.04 3.95 3.84 1z87A15 SER 253 HB3 -0.40 0.04 -0.08 -0.04 3.93 3.45 1z87A15 TRP 254 H 0.05 0.21 -0.37 -0.55 7.97 7.32 1z87A15 TRP 254 HA -0.00 0.10 0.45 -0.75 4.62 4.42 1z87A15 TRP 254 HB2 -0.01 -0.02 0.30 -0.04 3.23 3.46 1z87A15 TRP 254 HB3 0.00 -0.03 -0.02 -0.04 3.23 3.14 1z87A15 TRP 254 HD1 -0.02 -0.17 -0.27 -0.04 7.22 6.72 1z87A15 TRP 254 HE1 -0.02 -0.07 -0.12 -0.04 10.20 9.94 1z87A15 TRP 254 HE3 0.00 -0.07 -0.00 -0.04 7.59 7.48 1z87A15 TRP 254 HZ2 -0.01 -0.03 -0.36 -0.04 7.44 7.00 1z87A15 TRP 254 HZ3 -0.00 0.01 -0.12 -0.04 7.13 6.98 1z87A15 TRP 254 HH2 -0.01 0.28 -0.49 -0.04 7.19 6.93 1z87A15 ALA 255 H 0.23 0.76 0.07 -0.55 8.40 8.91 1z87A15 ALA 255 HA 0.13 -0.01 0.35 -0.75 4.34 4.05 1z87A15 ALA 255 HB3 0.10 0.03 0.04 -0.04 1.41 1.54 1z87A15 GLY 256 H 0.07 0.31 -0.56 -0.55 8.43 7.71 1z87A15 GLY 256 HA2 0.03 0.02 0.43 -0.51 4.01 3.98 1z87A15 GLY 256 HA3 0.02 0.14 0.29 -0.51 4.01 3.94 1z87A15 ALA 257 H 0.08 0.30 -0.51 -0.55 8.40 7.73 1z87A15 ALA 257 HA 0.03 0.06 0.54 -0.75 4.34 4.22 1z87A15 ALA 257 HB3 0.09 0.04 0.15 -0.04 1.41 1.66 1z87A15 ILE 258 H 0.15 0.64 0.00 -0.55 8.25 8.50 1z87A15 ILE 258 HA 0.08 0.06 0.36 -0.75 4.18 3.93 1z87A15 ILE 258 HB 0.08 0.05 0.03 -0.04 1.89 2.01 1z87A15 ILE 258 HG12 0.11 -0.02 -0.05 -0.04 1.49 1.49 1z87A15 ILE 258 HG13 0.20 0.30 0.02 -0.04 1.21 1.70 1z87A15 ILE 258 HG23 0.04 -0.02 -0.12 -0.04 0.93 0.79 1z87A15 ILE 258 HD13 0.05 -0.04 -0.14 -0.04 0.88 0.71 1z87A15 GLN 259 H 0.04 0.41 -0.35 -0.55 8.47 8.03 1z87A15 GLN 259 HA -0.03 -0.08 0.48 -0.75 4.36 3.98 1z87A15 GLN 259 HB2 0.01 0.11 0.09 -0.04 2.15 2.33 1z87A15 GLN 259 HB3 -0.02 -0.04 0.04 -0.04 2.02 1.96 1z87A15 GLN 259 HG2 0.01 -0.11 0.06 -0.04 2.40 2.32 1z87A15 GLN 259 HG3 0.02 0.07 0.01 -0.04 2.39 2.45 1z87A15 GLN 259 HE21 0.03 -0.00 -0.03 -0.04 6.97 6.92 1z87A15 GLN 259 HE22 0.01 -0.01 0.02 -0.04 7.69 7.66 1z87A15 ALA 260 H 0.02 0.34 -0.31 -0.55 8.40 7.90 1z87A15 ALA 260 HA -0.00 0.00 0.36 -0.75 4.34 3.95 1z87A15 ALA 260 HB3 0.01 0.01 0.13 -0.04 1.41 1.51 1z87A15 GLN 261 H 0.02 0.32 -0.32 -0.55 8.47 7.95 1z87A15 GLN 261 HA 0.01 0.06 0.50 -0.75 4.36 4.18 1z87A15 GLN 261 HB2 0.03 -0.07 0.11 -0.04 2.15 2.18 1z87A15 GLN 261 HB3 0.03 0.14 0.08 -0.04 2.02 2.22 1z87A15 GLN 261 HG2 0.04 0.22 0.08 -0.04 2.40 2.70 1z87A15 GLN 261 HG3 0.06 -0.13 -0.07 -0.04 2.39 2.21 1z87A15 GLN 261 HE21 0.02 -0.04 0.03 -0.04 6.97 6.94 1z87A15 GLN 261 HE22 0.02 -0.02 -0.01 -0.04 7.69 7.64 1z87A15 ILE 262 H 0.01 0.42 -0.04 -0.55 8.25 8.09 1z87A15 ILE 262 HA -0.01 0.13 0.52 -0.75 4.18 4.07 1z87A15 ILE 262 HB -0.04 -0.13 0.23 -0.04 1.89 1.90 1z87A15 ILE 262 HG12 0.01 0.17 0.08 -0.04 1.49 1.70 1z87A15 ILE 262 HG13 0.01 0.14 0.15 -0.04 1.21 1.47 1z87A15 ILE 262 HG23 -0.05 -0.02 -0.08 -0.04 0.93 0.74 1z87A15 ILE 262 HD13 0.00 -0.08 -0.13 -0.04 0.88 0.63 1z87A15 GLY 263 H -0.04 0.12 0.17 -0.55 8.43 8.13 1z87A15 GLY 263 HA2 -0.05 -0.08 0.34 -0.51 4.01 3.71 1z87A15 GLY 263 HA3 -0.02 0.11 0.32 -0.51 4.01 3.91 1z87A15 THR 264 H -0.08 -0.00 -0.53 -0.55 8.28 7.12 1z87A15 THR 264 HA -0.03 0.20 0.45 -0.75 4.39 4.26 1z87A15 THR 264 HB -0.06 -0.01 0.00 -0.04 4.32 4.22 1z87A15 THR 264 HG23 0.00 -0.02 0.06 -0.04 1.22 1.22