============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 5 1.000 41.332 -15.901 6.313 -99.200 -91.000 TYR 23 0.840 32.178 -8.436 7.286 -99.200 -91.000 PHE 27 1.000 36.349 -14.346 6.573 -99.200 -91.000 PHE 43 1.000 15.272 -1.413 6.959 -99.200 -91.000 TYR 71 0.840 18.706 -22.098 3.266 -99.200 -91.000 PHE 88 1.000 32.179 -26.358 4.560 -99.200 -91.000 PHE 106 1.000 14.117 5.101 27.072 -99.200 -91.000 TRP 114 1.040 15.028 -4.160 25.533 -99.200 -91.000 TRP6 114 1.020 16.339 -2.210 25.836 -99.200 -91.000 HIS 118 0.900 18.577 -5.274 23.768 -99.200 -91.000 HIS 121 0.900 21.425 -5.858 16.205 -99.200 -91.000 PHE 126 1.000 24.658 -16.911 25.475 -99.200 -91.000 TRP 133 1.040 34.323 -20.897 24.658 -99.200 -91.000 TRP6 133 1.020 35.282 -18.809 24.114 -99.200 -91.000 HIS 135 0.900 31.952 -28.218 18.319 -99.200 -91.000 TYR 141 0.840 42.667 -20.781 14.234 -99.200 -91.000 TYR 154 0.840 31.859 7.636 19.404 -99.200 -91.000 PHE 157 1.000 16.220 12.494 19.642 -99.200 -91.000 TYR 162 0.840 21.805 -0.459 15.834 -99.200 -91.000 HIS 186 0.900 44.044 -14.443 19.136 -99.200 -91.000 TYR 215 0.840 35.852 1.282 -0.044 -99.200 -91.000 TRP 222 1.040 45.381 -7.717 10.857 -99.200 -91.000 TRP6 222 1.020 47.171 -9.296 10.810 -99.200 -91.000 HIS 225 0.900 46.259 -15.205 8.205 -99.200 -91.000 PHE 235 1.000 40.985 -3.153 16.205 -99.200 -91.000 TRP 241 1.040 40.982 6.143 9.797 -99.200 -91.000 TRP6 241 1.020 39.491 5.742 11.589 -99.200 -91.000 TRP 247 1.040 36.513 1.797 28.373 -99.200 -91.000 TRP6 247 1.020 34.922 3.537 28.196 -99.200 -91.000 HIS 260 0.900 34.378 15.643 57.548 -99.200 -91.000 TRP 271 1.040 31.649 17.027 38.518 -99.200 -91.000 TRP6 271 1.020 31.593 14.739 39.122 -99.200 -91.000 PHE 277 1.000 38.816 12.039 31.066 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zbqE1 SER 3 HA -0.02 -0.04 0.20 -0.75 4.49 3.88 1zbqE1 SER 3 HB2 -0.01 -0.04 0.01 -0.04 3.95 3.87 1zbqE1 SER 3 HB3 -0.01 0.08 -0.06 -0.04 3.93 3.90 1zbqE1 PRO 4 HA -0.04 0.02 0.47 -0.51 4.44 4.38 1zbqE1 PRO 4 HB2 0.01 0.02 -0.06 -0.04 2.28 2.20 1zbqE1 PRO 4 HB3 -0.00 0.01 0.05 -0.04 2.02 2.04 1zbqE1 PRO 4 HG2 -0.00 0.02 0.05 -0.04 2.03 2.06 1zbqE1 PRO 4 HG3 -0.01 0.02 0.05 -0.04 2.03 2.04 1zbqE1 PRO 4 HD2 -0.01 0.07 0.15 -0.04 3.68 3.85 1zbqE1 PRO 4 HD3 -0.01 0.10 0.15 -0.04 3.65 3.85 1zbqE1 LEU 5 H -0.05 0.09 0.14 -0.55 8.37 8.00 1zbqE1 LEU 5 HA -0.17 0.08 0.59 -0.75 4.35 4.10 1zbqE1 ARG 6 H 0.09 0.17 0.22 -0.55 8.46 8.39 1zbqE1 ARG 6 HA 0.14 0.22 0.89 -0.75 4.34 4.84 1zbqE1 ARG 6 HB2 0.02 -0.00 0.09 -0.04 1.90 1.97 1zbqE1 ARG 6 HB3 0.05 -0.07 0.16 -0.04 1.80 1.91 1zbqE1 ARG 6 HG2 0.03 0.08 -0.35 -0.04 1.67 1.39 1zbqE1 ARG 6 HG3 0.03 -0.02 -0.03 -0.04 1.67 1.61 1zbqE1 ARG 6 HD2 0.07 0.05 -0.11 -0.04 3.22 3.19 1zbqE1 ARG 6 HD3 0.04 -0.04 -0.08 -0.04 3.22 3.09 1zbqE1 PHE 7 H 0.25 0.79 0.28 -0.55 8.34 9.10 1zbqE1 PHE 7 HA 0.01 0.17 0.69 -0.75 4.62 4.74 1zbqE1 PHE 7 HB2 0.12 0.03 -0.13 -0.04 3.15 3.12 1zbqE1 PHE 7 HB3 0.07 -0.08 0.07 -0.04 3.06 3.08 1zbqE1 PHE 7 HD2 0.13 -0.01 -0.15 -0.04 7.28 7.21 1zbqE1 PHE 7 HE2 0.18 0.14 -0.26 -0.04 7.38 7.39 1zbqE1 PHE 7 HZ 0.22 0.40 -0.14 -0.04 7.32 7.76 1zbqE1 ASP 8 H 0.05 0.04 0.03 -0.55 8.40 7.98 1zbqE1 ASP 8 HA 0.03 0.23 0.44 -0.75 4.63 4.57 1zbqE1 ASP 8 HB2 -0.01 -0.02 0.11 -0.04 2.71 2.75 1zbqE1 ASP 8 HB3 -0.00 0.01 0.04 -0.04 2.70 2.71 1zbqE1 GLY 9 H -0.03 0.24 0.26 -0.55 8.43 8.36 1zbqE1 GLY 9 HA2 -0.06 -0.03 0.34 -0.51 4.01 3.76 1zbqE1 GLY 9 HA3 -0.06 0.06 0.44 -0.51 4.01 3.94 1zbqE1 ARG 10 H -0.02 0.62 -0.19 -0.55 8.46 8.32 1zbqE1 ARG 10 HA -0.10 0.14 0.83 -0.75 4.34 4.45 1zbqE1 ARG 10 HB2 0.14 0.03 0.06 -0.04 1.90 2.08 1zbqE1 ARG 10 HB3 0.04 -0.04 -0.10 -0.04 1.80 1.66 1zbqE1 ARG 10 HG2 -0.08 0.10 -0.31 -0.04 1.67 1.34 1zbqE1 ARG 10 HG3 0.00 -0.02 -0.05 -0.04 1.67 1.56 1zbqE1 ARG 10 HD2 -0.25 0.00 -0.06 -0.04 3.22 2.87 1zbqE1 ARG 10 HD3 -0.25 0.03 -0.08 -0.04 3.22 2.88 1zbqE1 VAL 11 H -0.10 0.18 0.09 -0.55 8.24 7.86 1zbqE1 VAL 11 HA -0.31 0.30 0.77 -0.75 4.13 4.15 1zbqE1 VAL 11 HB -0.07 -0.26 0.05 -0.04 2.12 1.80 1zbqE1 VAL 11 HG13 -0.07 0.06 -0.02 -0.04 0.97 0.90 1zbqE1 VAL 11 HG23 -0.11 0.04 -0.12 -0.04 0.95 0.72 1zbqE1 VAL 12 H -0.25 0.72 0.28 -0.55 8.24 8.43 1zbqE1 VAL 12 HA -0.25 0.20 1.06 -0.75 4.13 4.38 1zbqE1 VAL 12 HB -0.45 -0.03 -0.01 -0.04 2.12 1.59 1zbqE1 VAL 12 HG13 -1.34 -0.03 -0.31 -0.04 0.97 -0.75 1zbqE1 VAL 12 HG23 -0.42 0.05 -0.26 -0.04 0.95 0.28 1zbqE1 LEU 13 H -0.14 0.88 0.40 -0.55 8.37 8.97 1zbqE1 LEU 13 HA -0.07 0.16 1.09 -0.75 4.35 4.77 1zbqE1 LEU 13 HB2 -0.03 0.01 0.08 -0.04 1.64 1.65 1zbqE1 LEU 13 HB3 -0.05 0.09 0.25 -0.04 1.64 1.89 1zbqE1 LEU 13 HG -0.02 -0.10 -0.42 -0.04 1.64 1.07 1zbqE1 LEU 13 HD13 -0.02 0.03 -0.11 -0.04 0.93 0.79 1zbqE1 LEU 13 HD23 -0.01 -0.01 -0.13 -0.04 0.89 0.70 1zbqE1 VAL 14 H -0.04 0.61 0.31 -0.55 8.24 8.57 1zbqE1 VAL 14 HA 0.03 0.23 1.01 -0.75 4.13 4.64 1zbqE1 VAL 14 HB 0.04 -0.04 0.15 -0.04 2.12 2.24 1zbqE1 VAL 14 HG13 0.17 0.03 -0.12 -0.04 0.97 1.01 1zbqE1 VAL 14 HG23 0.04 0.02 -0.27 -0.04 0.95 0.70 1zbqE1 THR 15 H 0.04 0.59 0.31 -0.55 8.28 8.67 1zbqE1 THR 15 HA 0.01 0.08 0.78 -0.75 4.39 4.51 1zbqE1 THR 15 HB 0.01 -0.07 0.14 -0.04 4.32 4.36 1zbqE1 THR 15 HG23 0.01 0.07 -0.02 -0.04 1.22 1.24 1zbqE1 GLY 16 H 0.01 0.11 0.11 -0.55 8.43 8.11 1zbqE1 GLY 16 HA2 0.01 -0.10 0.43 -0.51 4.01 3.84 1zbqE1 GLY 16 HA3 0.01 0.03 0.49 -0.51 4.01 4.03 1zbqE1 ALA 17 H 0.02 0.84 0.09 -0.55 8.40 8.81 1zbqE1 ALA 17 HA -0.00 -0.05 0.14 -0.75 4.34 3.67 1zbqE1 ALA 17 HB3 0.03 0.03 -0.03 -0.04 1.41 1.40 1zbqE1 GLY 18 H 0.01 -0.01 -0.43 -0.55 8.43 7.46 1zbqE1 GLY 18 HA2 0.02 0.27 0.39 -0.51 4.01 4.17 1zbqE1 GLY 18 HA3 0.02 -0.12 0.10 -0.51 4.01 3.50 1zbqE1 ALA 19 H -0.01 0.24 -0.13 -0.55 8.40 7.95 1zbqE1 ALA 19 HA -0.02 0.22 0.45 -0.75 4.34 4.23 1zbqE1 ALA 19 HB3 -0.01 0.01 0.01 -0.04 1.41 1.38 1zbqE1 GLY 20 H -0.05 0.19 0.14 -0.55 8.43 8.17 1zbqE1 GLY 20 HA2 -0.07 0.17 0.38 -0.51 4.01 3.98 1zbqE1 GLY 20 HA3 -0.06 -0.05 0.30 -0.51 4.01 3.69 1zbqE1 LEU 21 H -0.12 0.13 0.17 -0.55 8.37 8.01 1zbqE1 LEU 21 HA -0.31 0.05 0.37 -0.75 4.35 3.71 1zbqE1 LEU 21 HB2 -0.18 0.02 0.14 -0.04 1.64 1.57 1zbqE1 LEU 21 HB3 -0.55 0.08 -0.01 -0.04 1.64 1.11 1zbqE1 LEU 21 HG -0.06 -0.09 0.03 -0.04 1.64 1.47 1zbqE1 LEU 21 HD13 0.06 0.02 -0.04 -0.04 0.93 0.92 1zbqE1 LEU 21 HD23 0.05 0.02 -0.00 -0.04 0.89 0.92 1zbqE1 GLY 22 H -0.21 0.18 -0.02 -0.55 8.43 7.83 1zbqE1 GLY 22 HA2 -0.25 0.07 0.23 -0.51 4.01 3.55 1zbqE1 GLY 22 HA3 -0.09 0.24 0.16 -0.51 4.01 3.81 1zbqE1 ARG 23 H -0.10 0.34 -0.38 -0.55 8.46 7.77 1zbqE1 ARG 23 HA -0.01 0.00 0.41 -0.75 4.34 3.99 1zbqE1 ARG 23 HB2 -0.03 0.00 -0.43 -0.04 1.90 1.40 1zbqE1 ARG 23 HB3 -0.06 0.00 -0.25 -0.04 1.80 1.45 1zbqE1 ARG 23 HG2 -0.02 -0.01 -0.32 -0.04 1.67 1.29 1zbqE1 ARG 23 HG3 -0.01 0.00 -0.09 -0.04 1.67 1.53 1zbqE1 ARG 23 HD2 -0.02 0.00 -0.10 -0.04 3.22 3.06 1zbqE1 ARG 23 HD3 -0.03 0.00 -0.11 -0.04 3.22 3.04 1zbqE1 ALA 24 H -0.12 0.45 -0.22 -0.55 8.40 7.96 1zbqE1 ALA 24 HA -0.02 0.03 0.33 -0.75 4.34 3.93 1zbqE1 ALA 24 HB3 -0.08 0.02 -0.07 -0.04 1.41 1.24 1zbqE1 TYR 25 H -0.15 0.47 -0.29 -0.55 8.29 7.77 1zbqE1 TYR 25 HA -0.05 0.01 0.36 -0.75 4.56 4.13 1zbqE1 TYR 25 HB2 0.13 0.11 0.07 -0.04 3.06 3.33 1zbqE1 TYR 25 HB3 0.28 0.00 -0.06 -0.04 2.98 3.17 1zbqE1 TYR 25 HD2 0.04 -0.04 -0.13 -0.04 7.15 6.98 1zbqE1 TYR 25 HE2 0.04 -0.04 -0.20 -0.04 6.85 6.61 1zbqE1 ALA 26 H 0.14 0.50 -0.11 -0.55 8.40 8.39 1zbqE1 ALA 26 HA 0.21 0.03 0.23 -0.75 4.34 4.06 1zbqE1 ALA 26 HB3 0.07 -0.00 0.06 -0.04 1.41 1.50 1zbqE1 LEU 27 H 0.06 0.51 -0.09 -0.55 8.37 8.30 1zbqE1 LEU 27 HA 0.04 0.05 0.43 -0.75 4.35 4.12 1zbqE1 LEU 27 HB2 0.02 0.04 0.01 -0.04 1.64 1.67 1zbqE1 LEU 27 HB3 0.02 0.02 -0.02 -0.04 1.64 1.61 1zbqE1 LEU 27 HG 0.02 0.24 -0.04 -0.04 1.64 1.82 1zbqE1 LEU 27 HD13 0.00 -0.03 -0.11 -0.04 0.93 0.75 1zbqE1 LEU 27 HD23 0.02 -0.01 -0.09 -0.04 0.89 0.77 1zbqE1 ALA 28 H 0.03 0.43 -0.25 -0.55 8.40 8.06 1zbqE1 ALA 28 HA -0.02 0.03 0.36 -0.75 4.34 3.96 1zbqE1 ALA 28 HB3 -0.10 0.00 0.04 -0.04 1.41 1.32 1zbqE1 PHE 29 H 0.02 0.64 -0.11 -0.55 8.34 8.34 1zbqE1 PHE 29 HA -0.29 0.06 0.34 -0.75 4.62 3.97 1zbqE1 PHE 29 HB2 -0.11 0.07 0.06 -0.04 3.15 3.13 1zbqE1 PHE 29 HB3 -0.21 -0.02 -0.15 -0.04 3.06 2.63 1zbqE1 PHE 29 HD2 -0.59 0.05 -0.20 -0.04 7.28 6.49 1zbqE1 PHE 29 HE2 -0.38 0.00 -0.18 -0.04 7.38 6.78 1zbqE1 PHE 29 HZ -0.19 0.04 -0.27 -0.04 7.32 6.86 1zbqE1 ALA 30 H 0.10 0.49 -0.19 -0.55 8.40 8.25 1zbqE1 ALA 30 HA 0.04 0.16 0.43 -0.75 4.34 4.22 1zbqE1 ALA 30 HB3 0.04 -0.02 0.08 -0.04 1.41 1.46 1zbqE1 GLU 31 H 0.04 0.47 -0.21 -0.55 8.60 8.35 1zbqE1 GLU 31 HA 0.04 0.08 0.49 -0.75 4.29 4.14 1zbqE1 GLU 31 HB2 0.02 0.07 0.13 -0.04 2.09 2.27 1zbqE1 GLU 31 HB3 0.02 0.13 0.06 -0.04 1.99 2.17 1zbqE1 GLU 31 HG2 0.03 0.00 0.04 -0.04 2.34 2.37 1zbqE1 GLU 31 HG3 0.02 -0.01 0.06 -0.04 2.34 2.36 1zbqE1 ARG 32 H 0.08 0.32 -0.51 -0.55 8.46 7.80 1zbqE1 ARG 32 HA 0.11 0.14 0.75 -0.75 4.34 4.58 1zbqE1 ARG 32 HB2 0.30 0.08 0.09 -0.04 1.90 2.34 1zbqE1 ARG 32 HB3 0.37 -0.10 0.25 -0.04 1.80 2.28 1zbqE1 ARG 32 HG2 0.07 0.17 -0.01 -0.04 1.67 1.85 1zbqE1 ARG 32 HG3 0.20 -0.05 -0.02 -0.04 1.67 1.76 1zbqE1 ARG 32 HD2 0.13 0.18 0.05 -0.04 3.22 3.54 1zbqE1 ARG 32 HD3 0.08 0.02 -0.10 -0.04 3.22 3.18 1zbqE1 GLY 33 H 0.08 0.44 -0.42 -0.55 8.43 7.98 1zbqE1 GLY 33 HA2 0.05 0.09 0.25 -0.51 4.01 3.88 1zbqE1 GLY 33 HA3 0.07 -0.03 0.33 -0.51 4.01 3.87 1zbqE1 ALA 34 H 0.10 0.32 -0.13 -0.55 8.40 8.14 1zbqE1 ALA 34 HA 0.02 0.24 0.55 -0.75 4.34 4.39 1zbqE1 ALA 34 HB3 0.00 -0.04 -0.18 -0.04 1.41 1.15 1zbqE1 LEU 35 H -0.21 0.50 0.21 -0.55 8.37 8.32 1zbqE1 LEU 35 HA -0.34 0.14 0.72 -0.75 4.35 4.12 1zbqE1 LEU 35 HB2 -0.86 -0.09 0.08 -0.04 1.64 0.73 1zbqE1 LEU 35 HB3 -1.75 -0.02 -0.03 -0.04 1.64 -0.20 1zbqE1 LEU 35 HG -0.22 0.01 -0.01 -0.04 1.64 1.37 1zbqE1 LEU 35 HD13 -0.19 0.00 -0.14 -0.04 0.93 0.56 1zbqE1 LEU 35 HD23 -0.09 0.01 -0.04 -0.04 0.89 0.72 1zbqE1 VAL 36 H -0.13 0.61 0.26 -0.55 8.24 8.43 1zbqE1 VAL 36 HA -0.16 0.25 0.69 -0.75 4.13 4.16 1zbqE1 VAL 36 HB -0.00 -0.02 0.16 -0.04 2.12 2.21 1zbqE1 VAL 36 HG13 -0.02 -0.04 -0.21 -0.04 0.97 0.66 1zbqE1 VAL 36 HG23 -0.04 0.10 -0.14 -0.04 0.95 0.83 1zbqE1 VAL 37 H -0.05 0.62 0.33 -0.55 8.24 8.59 1zbqE1 VAL 37 HA 0.08 0.23 1.02 -0.75 4.13 4.71 1zbqE1 VAL 37 HB 0.01 -0.07 0.15 -0.04 2.12 2.16 1zbqE1 VAL 37 HG13 -0.02 -0.02 -0.29 -0.04 0.97 0.60 1zbqE1 VAL 37 HG23 0.17 0.02 -0.15 -0.04 0.95 0.95 1zbqE1 VAL 38 H 0.00 0.78 0.22 -0.55 8.24 8.69 1zbqE1 VAL 38 HA 0.00 0.11 0.73 -0.75 4.13 4.22 1zbqE1 VAL 38 HB -0.00 0.02 0.14 -0.04 2.12 2.24 1zbqE1 VAL 38 HG13 0.02 -0.04 -0.13 -0.04 0.97 0.78 1zbqE1 VAL 38 HG23 0.02 0.03 -0.17 -0.04 0.95 0.79 1zbqE1 ASN 39 H -0.01 0.61 0.32 -0.55 8.53 8.91 1zbqE1 ASN 39 HA -0.04 0.32 1.08 -0.75 4.76 5.36 1zbqE1 ASN 39 HB2 -0.02 0.08 -0.01 -0.04 2.88 2.88 1zbqE1 ASN 39 HB3 -0.00 0.07 0.21 -0.04 2.79 3.03 1zbqE1 ASN 39 HD21 0.00 0.35 -0.15 -0.04 7.03 7.19 1zbqE1 ASN 39 HD22 -0.03 -0.04 -0.12 -0.04 7.74 7.50 1zbqE1 ASP 40 H 0.03 0.77 0.29 -0.55 8.40 8.94 1zbqE1 ASP 40 HA 0.03 -0.14 0.39 -0.75 4.63 4.16 1zbqE1 ASP 40 HB2 0.04 0.12 -0.21 -0.04 2.71 2.62 1zbqE1 ASP 40 HB3 0.07 0.02 -0.05 -0.04 2.70 2.69 1zbqE1 LEU 41 H 0.03 0.05 0.13 -0.55 8.37 8.04 1zbqE1 LEU 41 HA 0.07 0.34 0.46 -0.75 4.35 4.46 1zbqE1 LEU 41 HB2 0.03 -0.03 0.04 -0.04 1.64 1.64 1zbqE1 LEU 41 HB3 0.02 -0.10 0.13 -0.04 1.64 1.66 1zbqE1 LEU 41 HG 0.02 0.04 -0.12 -0.04 1.64 1.54 1zbqE1 LEU 41 HD13 0.02 0.00 0.07 -0.04 0.93 0.99 1zbqE1 LEU 41 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.84 1zbqE1 GLY 42 H 0.04 -0.04 -0.09 -0.55 8.43 7.79 1zbqE1 GLY 42 HA2 0.04 -0.03 0.23 -0.51 4.01 3.73 1zbqE1 GLY 42 HA3 0.03 0.25 0.48 -0.51 4.01 4.25 1zbqE1 GLY 43 H 0.03 -0.06 -0.21 -0.55 8.43 7.63 1zbqE1 GLY 43 HA2 0.02 0.12 0.52 -0.51 4.01 4.16 1zbqE1 GLY 43 HA3 0.01 0.18 -0.05 -0.51 4.01 3.65 1zbqE1 ASP 44 H 0.01 0.73 0.25 -0.55 8.40 8.85 1zbqE1 ASP 44 HA 0.09 0.18 0.60 -0.75 4.63 4.75 1zbqE1 ASP 44 HB2 0.08 -0.05 0.20 -0.04 2.71 2.90 1zbqE1 ASP 44 HB3 0.03 0.12 0.12 -0.04 2.70 2.93 1zbqE1 PHE 45 H 0.32 0.21 0.18 -0.55 8.34 8.49 1zbqE1 PHE 45 HA 0.01 0.19 0.45 -0.75 4.62 4.52 1zbqE1 PHE 45 HB2 0.01 0.00 0.16 -0.04 3.15 3.28 1zbqE1 PHE 45 HB3 0.01 -0.02 0.08 -0.04 3.06 3.08 1zbqE1 PHE 45 HD2 0.00 -0.07 0.06 -0.04 7.28 7.24 1zbqE1 PHE 45 HE2 -0.00 0.02 0.03 -0.04 7.38 7.38 1zbqE1 PHE 45 HZ 0.00 0.03 0.02 -0.04 7.32 7.33 1zbqE1 LYS 46 H -0.31 0.00 -0.33 -0.55 8.42 7.23 1zbqE1 LYS 46 HA -0.20 0.33 1.04 -0.75 4.32 4.74 1zbqE1 LYS 46 HB2 -0.34 -0.07 0.08 -0.04 1.87 1.50 1zbqE1 LYS 46 HB3 -0.19 0.04 0.21 -0.04 1.79 1.80 1zbqE1 GLY 47 H -0.05 0.34 -0.22 -0.55 8.43 7.95 1zbqE1 GLY 47 HA2 -0.01 0.03 0.19 -0.51 4.01 3.71 1zbqE1 GLY 47 HA3 -0.02 0.11 0.41 -0.51 4.01 4.01 1zbqE1 VAL 48 H -0.04 -0.03 -0.08 -0.55 8.24 7.54 1zbqE1 VAL 48 HA -0.01 0.21 0.92 -0.75 4.13 4.49 1zbqE1 VAL 48 HB -0.04 -0.11 0.08 -0.04 2.12 2.02 1zbqE1 VAL 48 HG13 -0.01 0.02 -0.05 -0.04 0.97 0.88 1zbqE1 VAL 48 HG23 -0.04 0.03 -0.20 -0.04 0.95 0.69 1zbqE1 GLY 49 H -0.00 0.18 0.12 -0.55 8.43 8.19 1zbqE1 GLY 49 HA2 -0.00 0.08 0.34 -0.51 4.01 3.92 1zbqE1 GLY 49 HA3 0.00 0.12 0.56 -0.51 4.01 4.17 1zbqE1 LYS 50 H -0.00 0.32 0.17 -0.55 8.42 8.35 1zbqE1 LYS 50 HA 0.01 0.14 0.42 -0.75 4.32 4.14 1zbqE1 LYS 50 HB2 0.01 0.04 -0.22 -0.04 1.87 1.65 1zbqE1 LYS 50 HB3 -0.00 -0.06 -0.07 -0.04 1.79 1.62 1zbqE1 GLY 51 H 0.00 0.73 0.38 -0.55 8.43 8.99 1zbqE1 GLY 51 HA2 -0.06 0.06 0.53 -0.51 4.01 4.03 1zbqE1 GLY 51 HA3 -0.03 0.04 0.44 -0.51 4.01 3.96 1zbqE1 SER 52 H -0.16 0.21 0.19 -0.55 8.46 8.15 1zbqE1 SER 52 HA -0.33 0.19 0.67 -0.75 4.49 4.27 1zbqE1 SER 52 HB2 -0.31 0.03 0.11 -0.04 3.95 3.74 1zbqE1 SER 52 HB3 -0.55 0.03 0.05 -0.04 3.93 3.42 1zbqE1 LEU 53 H -0.05 0.10 -0.06 -0.55 8.37 7.80 1zbqE1 LEU 53 HA -0.00 0.11 0.31 -0.75 4.35 4.00 1zbqE1 ALA 54 H 0.02 0.14 -0.28 -0.55 8.40 7.73 1zbqE1 ALA 54 HA 0.03 0.13 0.27 -0.75 4.34 4.02 1zbqE1 ALA 54 HB3 0.04 0.01 0.00 -0.04 1.41 1.41 1zbqE1 ALA 55 H 0.13 0.18 -0.21 -0.55 8.40 7.95 1zbqE1 ALA 55 HA 0.06 0.06 0.44 -0.75 4.34 4.15 1zbqE1 ALA 55 HB3 0.16 0.04 0.04 -0.04 1.41 1.60 1zbqE1 ASP 56 H 0.16 0.47 -0.10 -0.55 8.40 8.38 1zbqE1 LYS 57 H 0.04 0.59 -0.11 -0.55 8.42 8.39 1zbqE1 LYS 57 HA 0.03 0.05 0.50 -0.75 4.32 4.15 1zbqE1 LYS 57 HB2 0.02 0.09 0.10 -0.04 1.87 2.05 1zbqE1 LYS 57 HB3 0.02 -0.01 0.02 -0.04 1.79 1.77 1zbqE1 VAL 58 H 0.04 0.28 -0.30 -0.55 8.24 7.70 1zbqE1 VAL 58 HA 0.02 0.05 0.49 -0.75 4.13 3.93 1zbqE1 VAL 58 HB 0.03 0.06 0.09 -0.04 2.12 2.26 1zbqE1 VAL 58 HG13 0.02 0.02 -0.08 -0.04 0.97 0.89 1zbqE1 VAL 58 HG23 0.02 0.04 0.09 -0.04 0.95 1.05 1zbqE1 VAL 59 H 0.04 0.54 -0.03 -0.55 8.24 8.24 1zbqE1 VAL 59 HA 0.03 0.04 0.40 -0.75 4.13 3.85 1zbqE1 VAL 59 HB 0.04 0.04 0.05 -0.04 2.12 2.21 1zbqE1 VAL 59 HG13 0.03 0.00 -0.24 -0.04 0.97 0.73 1zbqE1 VAL 59 HG23 0.02 0.00 -0.24 -0.04 0.95 0.69 1zbqE1 GLU 60 H 0.03 0.52 -0.26 -0.55 8.60 8.35 1zbqE1 GLU 60 HA 0.03 0.04 0.44 -0.75 4.29 4.04 1zbqE1 GLU 61 H 0.02 0.48 -0.12 -0.55 8.60 8.43 1zbqE1 GLU 61 HA 0.02 0.02 0.43 -0.75 4.29 4.00 1zbqE1 GLU 61 HB2 0.01 0.03 0.13 -0.04 2.09 2.22 1zbqE1 GLU 61 HB3 0.02 0.05 0.11 -0.04 1.99 2.12 1zbqE1 GLU 61 HG2 0.01 -0.05 -0.04 -0.04 2.34 2.22 1zbqE1 GLU 61 HG3 0.01 0.02 -0.09 -0.04 2.34 2.24 1zbqE1 ILE 62 H 0.03 0.55 -0.21 -0.55 8.25 8.07 1zbqE1 ILE 62 HA 0.03 0.02 0.36 -0.75 4.18 3.83 1zbqE1 ILE 62 HB 0.03 0.08 0.05 -0.04 1.89 2.01 1zbqE1 ILE 62 HG12 0.04 0.02 -0.08 -0.04 1.49 1.42 1zbqE1 ILE 62 HG13 0.03 -0.06 -0.08 -0.04 1.21 1.06 1zbqE1 ILE 62 HG23 0.03 0.03 -0.43 -0.04 0.93 0.53 1zbqE1 ILE 62 HD13 0.04 -0.03 -0.26 -0.04 0.88 0.58 1zbqE1 ARG 63 H 0.03 0.48 -0.18 -0.55 8.46 8.23 1zbqE1 ARG 63 HA 0.03 0.28 0.44 -0.75 4.34 4.34 1zbqE1 ARG 63 HB2 0.03 0.02 0.15 -0.04 1.90 2.06 1zbqE1 ARG 63 HB3 0.02 -0.05 0.04 -0.04 1.80 1.77 1zbqE1 ARG 63 HG2 0.04 0.09 0.10 -0.04 1.67 1.85 1zbqE1 ARG 63 HG3 0.04 0.06 0.05 -0.04 1.67 1.77 1zbqE1 ARG 63 HD2 0.03 -0.07 -0.03 -0.04 3.22 3.11 1zbqE1 ARG 63 HD3 0.03 -0.03 0.03 -0.04 3.22 3.21 1zbqE1 ARG 64 H 0.02 0.57 -0.11 -0.55 8.46 8.38 1zbqE1 ARG 64 HA 0.02 0.01 0.50 -0.75 4.34 4.11 1zbqE1 ARG 64 HB2 0.01 -0.00 0.11 -0.04 1.90 1.99 1zbqE1 ARG 64 HB3 0.01 0.10 0.13 -0.04 1.80 2.00 1zbqE1 ARG 64 HG2 0.01 0.02 -0.10 -0.04 1.67 1.56 1zbqE1 ARG 64 HG3 0.01 -0.03 0.07 -0.04 1.67 1.68 1zbqE1 ARG 64 HD2 0.01 -0.01 -0.02 -0.04 3.22 3.15 1zbqE1 ARG 64 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.13 1zbqE1 ARG 65 H 0.02 0.39 -0.33 -0.55 8.46 7.99 1zbqE1 ARG 65 HA 0.01 0.07 0.65 -0.75 4.34 4.32 1zbqE1 ARG 65 HB2 0.02 0.07 0.10 -0.04 1.90 2.04 1zbqE1 ARG 65 HB3 0.02 -0.04 0.15 -0.04 1.80 1.89 1zbqE1 ARG 65 HG2 0.01 -0.05 -0.00 -0.04 1.67 1.59 1zbqE1 ARG 65 HG3 0.01 0.01 -0.03 -0.04 1.67 1.63 1zbqE1 ARG 65 HD2 0.02 0.04 -0.12 -0.04 3.22 3.11 1zbqE1 ARG 65 HD3 0.02 -0.01 -0.02 -0.04 3.22 3.16 1zbqE1 GLY 66 H 0.02 0.33 -0.64 -0.55 8.43 7.60 1zbqE1 GLY 66 HA2 0.02 0.03 0.30 -0.51 4.01 3.85 1zbqE1 GLY 66 HA3 0.02 0.02 0.46 -0.51 4.01 4.00 1zbqE1 GLY 67 H 0.03 0.49 -0.05 -0.55 8.43 8.35 1zbqE1 GLY 67 HA2 0.03 0.19 0.74 -0.51 4.01 4.46 1zbqE1 GLY 67 HA3 0.03 -0.03 0.18 -0.51 4.01 3.68 1zbqE1 LYS 68 H 0.02 0.30 0.15 -0.55 8.42 8.33 1zbqE1 LYS 68 HA 0.06 0.14 0.91 -0.75 4.32 4.68 1zbqE1 ALA 69 H 0.10 0.30 0.19 -0.55 8.40 8.44 1zbqE1 ALA 69 HA 0.16 0.23 0.75 -0.75 4.34 4.72 1zbqE1 ALA 69 HB3 0.05 0.00 -0.06 -0.04 1.41 1.36 1zbqE1 VAL 70 H 0.15 0.62 0.41 -0.55 8.24 8.87 1zbqE1 VAL 70 HA 0.00 0.12 0.75 -0.75 4.13 4.25 1zbqE1 VAL 70 HB -0.11 0.07 -0.08 -0.04 2.12 1.96 1zbqE1 VAL 70 HG13 -0.01 0.02 -0.14 -0.04 0.97 0.80 1zbqE1 VAL 70 HG23 -0.12 0.02 0.10 -0.04 0.95 0.91 1zbqE1 ALA 71 H -0.09 0.15 0.16 -0.55 8.40 8.07 1zbqE1 ALA 71 HA -0.12 0.25 0.91 -0.75 4.34 4.63 1zbqE1 ALA 71 HB3 -0.19 -0.01 -0.01 -0.04 1.41 1.15 1zbqE1 ASN 72 H -0.23 0.71 0.33 -0.55 8.53 8.80 1zbqE1 ASN 72 HA -0.41 0.15 0.56 -0.75 4.76 4.30 1zbqE1 ASN 72 HB2 -0.12 0.15 -0.02 -0.04 2.88 2.84 1zbqE1 ASN 72 HB3 -0.10 -0.06 0.01 -0.04 2.79 2.61 1zbqE1 ASN 72 HD21 -0.04 0.01 -0.12 -0.04 7.03 6.84 1zbqE1 ASN 72 HD22 -0.09 0.11 0.09 -0.04 7.74 7.81 1zbqE1 TYR 73 H -0.15 0.18 0.09 -0.55 8.29 7.87 1zbqE1 TYR 73 HA 0.00 0.39 0.93 -0.75 4.56 5.13 1zbqE1 TYR 73 HB2 -0.00 0.01 0.02 -0.04 3.06 3.04 1zbqE1 TYR 73 HB3 0.00 0.04 0.11 -0.04 2.98 3.10 1zbqE1 TYR 73 HD2 -0.00 0.06 -0.02 -0.04 7.15 7.15 1zbqE1 TYR 73 HE2 -0.00 0.03 -0.01 -0.04 6.85 6.83 1zbqE1 ASP 74 H 0.02 0.04 -0.14 -0.55 8.40 7.77 1zbqE1 ASP 74 HA 0.05 0.11 0.51 -0.75 4.63 4.55 1zbqE1 ASP 74 HB2 0.01 -0.02 -0.11 -0.04 2.71 2.55 1zbqE1 ASP 74 HB3 0.02 0.09 0.02 -0.04 2.70 2.78 1zbqE1 SER 75 H 0.03 0.16 0.16 -0.55 8.46 8.26 1zbqE1 SER 75 HA 0.02 0.04 0.69 -0.75 4.49 4.48 1zbqE1 SER 75 HB2 0.02 0.12 0.13 -0.04 3.95 4.18 1zbqE1 SER 75 HB3 0.02 0.02 0.12 -0.04 3.93 4.05 1zbqE1 VAL 76 H 0.00 0.14 0.10 -0.55 8.24 7.93 1zbqE1 VAL 76 HA 0.00 0.10 0.25 -0.75 4.13 3.73 1zbqE1 VAL 76 HB 0.00 0.11 -0.01 -0.04 2.12 2.18 1zbqE1 VAL 76 HG13 0.00 -0.01 0.03 -0.04 0.97 0.95 1zbqE1 VAL 76 HG23 -0.02 0.04 0.01 -0.04 0.95 0.94 1zbqE1 GLU 77 H 0.01 -0.03 -0.43 -0.55 8.60 7.60 1zbqE1 GLU 77 HA 0.03 0.16 0.46 -0.75 4.29 4.19 1zbqE1 GLU 77 HB2 0.02 -0.07 -0.05 -0.04 2.09 1.95 1zbqE1 GLU 77 HB3 0.03 0.05 -0.03 -0.04 1.99 2.00 1zbqE1 GLU 77 HG2 0.03 0.06 -0.10 -0.04 2.34 2.30 1zbqE1 GLU 77 HG3 0.02 -0.06 -0.12 -0.04 2.34 2.14 1zbqE1 GLU 78 H 0.01 0.53 -0.34 -0.55 8.60 8.25 1zbqE1 GLU 78 HA 0.01 0.18 0.78 -0.75 4.29 4.51 1zbqE1 GLY 79 H -0.01 0.39 -0.40 -0.55 8.43 7.86 1zbqE1 GLY 79 HA2 -0.01 -0.02 0.17 -0.51 4.01 3.64 1zbqE1 GLY 79 HA3 -0.04 0.09 -0.05 -0.51 4.01 3.50 1zbqE1 GLU 80 H -0.02 0.11 -0.24 -0.55 8.60 7.91 1zbqE1 GLU 80 HA -0.00 0.15 0.53 -0.75 4.29 4.21 1zbqE1 GLU 80 HB2 -0.01 0.03 0.07 -0.04 2.09 2.13 1zbqE1 GLU 80 HB3 -0.00 -0.02 -0.02 -0.04 1.99 1.90 1zbqE1 GLU 80 HG2 0.01 0.02 -0.04 -0.04 2.34 2.30 1zbqE1 GLU 80 HG3 0.02 -0.01 -0.02 -0.04 2.34 2.28 1zbqE1 LYS 81 H -0.00 0.20 -0.22 -0.55 8.42 7.84 1zbqE1 LYS 81 HA -0.00 0.09 0.43 -0.75 4.32 4.09 1zbqE1 LYS 81 HB2 0.00 0.16 0.12 -0.04 1.87 2.12 1zbqE1 LYS 81 HB3 0.00 -0.04 0.01 -0.04 1.79 1.72 1zbqE1 VAL 82 H -0.01 0.33 -0.26 -0.55 8.24 7.75 1zbqE1 VAL 82 HA -0.02 -0.04 0.36 -0.75 4.13 3.67 1zbqE1 VAL 82 HB -0.01 0.18 0.06 -0.04 2.12 2.32 1zbqE1 VAL 82 HG13 -0.01 -0.03 -0.14 -0.04 0.97 0.75 1zbqE1 VAL 82 HG23 -0.00 0.02 -0.25 -0.04 0.95 0.67 1zbqE1 VAL 83 H -0.01 0.52 -0.10 -0.55 8.24 8.10 1zbqE1 VAL 83 HA -0.01 0.02 0.43 -0.75 4.13 3.81 1zbqE1 VAL 83 HB 0.02 0.07 0.08 -0.04 2.12 2.25 1zbqE1 VAL 83 HG13 0.01 0.02 -0.20 -0.04 0.97 0.75 1zbqE1 VAL 83 HG23 0.01 0.01 0.00 -0.04 0.95 0.93 1zbqE1 LYS 84 H -0.01 0.39 -0.34 -0.55 8.42 7.90 1zbqE1 LYS 84 HA -0.03 0.04 0.34 -0.75 4.32 3.91 1zbqE1 THR 85 H -0.04 0.36 -0.30 -0.55 8.28 7.75 1zbqE1 THR 85 HA -0.07 0.02 0.45 -0.75 4.39 4.04 1zbqE1 THR 85 HB -0.05 0.14 0.07 -0.04 4.32 4.44 1zbqE1 THR 85 HG23 -0.10 0.01 -0.18 -0.04 1.22 0.91 1zbqE1 ALA 86 H -0.02 0.29 -0.23 -0.55 8.40 7.89 1zbqE1 ALA 86 HA 0.14 0.02 0.43 -0.75 4.34 4.17 1zbqE1 ALA 86 HB3 0.02 0.07 0.07 -0.04 1.41 1.53 1zbqE1 LEU 87 H -0.06 0.37 -0.21 -0.55 8.37 7.93 1zbqE1 LEU 87 HA -0.07 -0.01 0.35 -0.75 4.35 3.86 1zbqE1 LEU 87 HB2 -0.08 0.04 0.11 -0.04 1.64 1.66 1zbqE1 LEU 87 HB3 -0.09 0.01 -0.06 -0.04 1.64 1.46 1zbqE1 LEU 87 HG -0.30 0.03 -0.10 -0.04 1.64 1.23 1zbqE1 LEU 87 HD13 -0.29 0.00 -0.27 -0.04 0.93 0.33 1zbqE1 LEU 87 HD23 -0.24 0.00 -0.16 -0.04 0.89 0.44 1zbqE1 ASP 88 H -0.07 0.63 -0.06 -0.55 8.40 8.36 1zbqE1 ASP 88 HA -0.07 0.05 0.43 -0.75 4.63 4.30 1zbqE1 ASP 88 HB2 -0.09 0.01 0.16 -0.04 2.71 2.75 1zbqE1 ASP 88 HB3 -0.08 -0.04 -0.02 -0.04 2.70 2.51 1zbqE1 ALA 89 H -0.19 0.62 -0.03 -0.55 8.40 8.25 1zbqE1 ALA 89 HA -0.32 0.05 0.50 -0.75 4.34 3.82 1zbqE1 ALA 89 HB3 -0.74 -0.03 0.05 -0.04 1.41 0.65 1zbqE1 PHE 90 H -0.10 0.41 -0.06 -0.55 8.34 8.04 1zbqE1 PHE 90 HA -0.03 0.20 0.88 -0.75 4.62 4.92 1zbqE1 PHE 90 HB2 -0.05 0.12 0.05 -0.04 3.15 3.23 1zbqE1 PHE 90 HB3 -0.04 -0.01 0.05 -0.04 3.06 3.01 1zbqE1 PHE 90 HD2 -0.04 0.05 -0.07 -0.04 7.28 7.17 1zbqE1 PHE 90 HE2 -0.03 -0.03 -0.26 -0.04 7.38 7.02 1zbqE1 PHE 90 HZ -0.03 -0.07 -0.32 -0.04 7.32 6.87 1zbqE1 GLY 91 H 0.00 0.20 0.03 -0.55 8.43 8.12 1zbqE1 GLY 91 HA2 -0.02 0.15 0.39 -0.51 4.01 4.02 1zbqE1 GLY 91 HA3 0.01 0.05 0.36 -0.51 4.01 3.91 1zbqE1 ARG 92 H 0.03 0.31 -0.19 -0.55 8.46 8.06 1zbqE1 ARG 92 HA -0.09 0.04 0.37 -0.75 4.34 3.91 1zbqE1 ARG 92 HB2 -0.03 -0.00 0.09 -0.04 1.90 1.91 1zbqE1 ARG 92 HB3 -0.02 0.19 -0.10 -0.04 1.80 1.83 1zbqE1 ARG 92 HG2 -0.00 0.07 -0.24 -0.04 1.67 1.46 1zbqE1 ARG 92 HG3 -0.03 -0.13 -0.36 -0.04 1.67 1.10 1zbqE1 ARG 92 HD2 -0.06 0.01 -0.07 -0.04 3.22 3.06 1zbqE1 ARG 92 HD3 -0.04 0.02 -0.05 -0.04 3.22 3.11 1zbqE1 ILE 93 H -0.05 0.34 0.08 -0.55 8.25 8.07 1zbqE1 ILE 93 HA -0.03 0.07 0.62 -0.75 4.18 4.09 1zbqE1 ILE 93 HB -0.05 -0.01 -0.10 -0.04 1.89 1.69 1zbqE1 ILE 93 HG12 -0.01 -0.08 -0.07 -0.04 1.49 1.29 1zbqE1 ILE 93 HG13 -0.01 0.06 -0.32 -0.04 1.21 0.91 1zbqE1 ILE 93 HG23 -0.03 0.00 0.03 -0.04 0.93 0.89 1zbqE1 ILE 93 HD13 -0.04 0.01 0.01 -0.04 0.88 0.82 1zbqE1 ASP 94 H -0.04 0.37 0.28 -0.55 8.40 8.47 1zbqE1 ASP 94 HA 0.08 0.31 0.99 -0.75 4.63 5.25 1zbqE1 ASP 94 HB2 -0.01 -0.03 0.09 -0.04 2.71 2.72 1zbqE1 ASP 94 HB3 0.13 0.07 0.01 -0.04 2.70 2.86 1zbqE1 VAL 95 H -0.05 0.42 0.40 -0.55 8.24 8.46 1zbqE1 VAL 95 HA -0.02 0.33 1.07 -0.75 4.13 4.76 1zbqE1 VAL 95 HB -0.23 -0.15 0.12 -0.04 2.12 1.82 1zbqE1 VAL 95 HG13 -0.17 -0.01 -0.20 -0.04 0.97 0.55 1zbqE1 VAL 95 HG23 0.11 0.03 -0.16 -0.04 0.95 0.88 1zbqE1 VAL 96 H -0.02 0.74 0.38 -0.55 8.24 8.78 1zbqE1 VAL 96 HA -0.05 0.17 1.05 -0.75 4.13 4.55 1zbqE1 VAL 96 HB 0.03 0.03 0.14 -0.04 2.12 2.28 1zbqE1 VAL 96 HG13 0.02 -0.05 -0.20 -0.04 0.97 0.70 1zbqE1 VAL 96 HG23 0.01 0.00 -0.17 -0.04 0.95 0.75 1zbqE1 VAL 97 H -0.03 0.84 0.30 -0.55 8.24 8.80 1zbqE1 VAL 97 HA 0.03 0.14 1.02 -0.75 4.13 4.56 1zbqE1 VAL 97 HB 0.07 -0.02 0.22 -0.04 2.12 2.34 1zbqE1 VAL 97 HG13 0.17 -0.03 -0.19 -0.04 0.97 0.87 1zbqE1 VAL 97 HG23 0.04 0.02 -0.20 -0.04 0.95 0.77 1zbqE1 ASN 98 H 0.05 0.69 0.22 -0.55 8.53 8.95 1zbqE1 ASN 98 HA 0.05 -0.11 0.72 -0.75 4.76 4.66 1zbqE1 ASN 98 HB2 0.06 0.20 0.42 -0.04 2.88 3.52 1zbqE1 ASN 98 HB3 0.05 -0.04 0.15 -0.04 2.79 2.91 1zbqE1 ASN 98 HD21 0.06 0.00 -0.02 -0.04 7.03 7.03 1zbqE1 ASN 98 HD22 0.06 0.18 0.03 -0.04 7.74 7.97 1zbqE1 ASN 99 H 0.06 -0.10 0.27 -0.55 8.53 8.22 1zbqE1 ASN 99 HA 0.12 0.21 0.87 -0.75 4.76 5.20 1zbqE1 ASN 99 HB2 0.26 0.01 -0.21 -0.04 2.88 2.89 1zbqE1 ASN 99 HB3 0.11 0.36 0.10 -0.04 2.79 3.32 1zbqE1 ASN 99 HD21 -0.04 -0.23 0.05 -0.04 7.03 6.77 1zbqE1 ASN 99 HD22 0.01 0.26 0.01 -0.04 7.74 7.98 1zbqE1 ALA 100 H 0.03 -0.13 -0.00 -0.55 8.40 7.75 1zbqE1 ALA 100 HA -0.00 -0.02 0.33 -0.75 4.34 3.90 1zbqE1 ALA 100 HB3 -0.02 -0.04 0.02 -0.04 1.41 1.33 1zbqE1 GLY 101 H -0.03 0.16 0.26 -0.55 8.43 8.28 1zbqE1 GLY 101 HA2 -0.60 0.04 0.50 -0.51 4.01 3.44 1zbqE1 GLY 101 HA3 -0.05 0.16 0.32 -0.51 4.01 3.93 1zbqE1 ILE 102 H -0.06 0.27 0.22 -0.55 8.25 8.14 1zbqE1 ILE 102 HA 0.14 0.17 0.83 -0.75 4.18 4.57 1zbqE1 ILE 102 HB 0.04 0.07 -0.12 -0.04 1.89 1.84 1zbqE1 ILE 102 HG12 -0.09 -0.09 -0.11 -0.04 1.49 1.16 1zbqE1 ILE 102 HG13 0.14 -0.01 -0.18 -0.04 1.21 1.11 1zbqE1 ILE 102 HG23 0.01 -0.03 -0.22 -0.04 0.93 0.64 1zbqE1 ILE 102 HD13 0.02 0.05 -0.29 -0.04 0.88 0.61 1zbqE1 LEU 103 H 0.09 0.78 0.44 -0.55 8.37 9.13 1zbqE1 LEU 103 HA 0.09 0.11 1.00 -0.75 4.35 4.80 1zbqE1 LEU 103 HB2 0.26 0.05 0.15 -0.04 1.64 2.06 1zbqE1 LEU 103 HB3 0.06 -0.06 -0.01 -0.04 1.64 1.59 1zbqE1 LEU 103 HG 0.01 -0.01 -0.11 -0.04 1.64 1.49 1zbqE1 LEU 103 HD13 0.00 0.01 0.03 -0.04 0.93 0.93 1zbqE1 LEU 103 HD23 -0.61 0.01 0.07 -0.04 0.89 0.33 1zbqE1 ARG 104 H 0.04 0.13 0.03 -0.55 8.46 8.11 1zbqE1 ARG 104 HA -0.01 0.20 0.63 -0.75 4.34 4.41 1zbqE1 ARG 104 HB2 0.06 -0.03 0.14 -0.04 1.90 2.03 1zbqE1 ARG 104 HB3 0.05 -0.03 0.19 -0.04 1.80 1.97 1zbqE1 ARG 104 HG2 0.02 0.02 -0.33 -0.04 1.67 1.34 1zbqE1 ARG 104 HG3 0.04 -0.01 0.01 -0.04 1.67 1.68 1zbqE1 ARG 104 HD2 0.01 -0.09 0.06 -0.04 3.22 3.15 1zbqE1 ARG 104 HD3 -0.03 0.05 0.20 -0.04 3.22 3.40 1zbqE1 ASP 105 H 0.01 0.12 -0.01 -0.55 8.40 7.97 1zbqE1 ASP 105 HA 0.04 0.09 0.64 -0.75 4.63 4.64 1zbqE1 ASP 105 HB2 0.04 -0.02 0.13 -0.04 2.71 2.81 1zbqE1 ASP 105 HB3 0.05 0.06 0.00 -0.04 2.70 2.77 1zbqE1 ARG 106 H 0.07 0.61 0.32 -0.55 8.46 8.91 1zbqE1 ARG 106 HA 0.06 0.04 0.62 -0.75 4.34 4.31 1zbqE1 ARG 106 HB2 0.05 0.10 -0.56 -0.04 1.90 1.45 1zbqE1 ARG 106 HB3 0.06 -0.08 -0.15 -0.04 1.80 1.59 1zbqE1 ARG 106 HG2 0.03 0.09 -0.64 -0.04 1.67 1.11 1zbqE1 ARG 106 HG3 0.04 -0.07 -0.07 -0.04 1.67 1.53 1zbqE1 ARG 106 HD2 0.02 0.03 0.01 -0.04 3.22 3.24 1zbqE1 ARG 106 HD3 0.04 0.01 0.11 -0.04 3.22 3.33 1zbqE1 SER 107 H 0.08 0.18 0.14 -0.55 8.46 8.31 1zbqE1 SER 107 HA -0.02 -0.01 0.65 -0.75 4.49 4.36 1zbqE1 SER 107 HB2 0.04 0.00 0.15 -0.04 3.95 4.10 1zbqE1 SER 107 HB3 0.14 0.09 0.15 -0.04 3.93 4.27 1zbqE1 PHE 108 H 0.09 0.14 0.20 -0.55 8.34 8.21 1zbqE1 PHE 108 HA 0.01 0.06 0.16 -0.75 4.62 4.10 1zbqE1 PHE 108 HB2 -0.07 -0.04 0.20 -0.04 3.15 3.21 1zbqE1 PHE 108 HB3 -0.05 0.01 0.19 -0.04 3.06 3.17 1zbqE1 PHE 108 HD2 0.02 -0.07 -0.00 -0.04 7.28 7.19 1zbqE1 PHE 108 HE2 0.02 0.02 -0.03 -0.04 7.38 7.35 1zbqE1 PHE 108 HZ -0.08 0.04 -0.03 -0.04 7.32 7.22 1zbqE1 ALA 109 H 0.10 0.07 -0.00 -0.55 8.40 8.02 1zbqE1 ALA 109 HA -0.17 0.11 0.40 -0.75 4.34 3.93 1zbqE1 ALA 109 HB3 0.02 0.01 0.07 -0.04 1.41 1.47 1zbqE1 ARG 110 H -0.02 0.28 -0.58 -0.55 8.46 7.59 1zbqE1 ARG 110 HA -0.03 0.20 0.71 -0.75 4.34 4.46 1zbqE1 ARG 110 HB2 0.02 -0.05 0.03 -0.04 1.90 1.87 1zbqE1 ARG 110 HB3 0.01 -0.02 0.08 -0.04 1.80 1.83 1zbqE1 ARG 110 HG2 0.01 0.04 -0.00 -0.04 1.67 1.67 1zbqE1 ARG 110 HG3 0.01 -0.03 -0.24 -0.04 1.67 1.37 1zbqE1 ARG 110 HD2 0.03 -0.00 0.01 -0.04 3.22 3.22 1zbqE1 ARG 110 HD3 0.02 0.04 -0.02 -0.04 3.22 3.22 1zbqE1 ILE 111 H -0.10 0.42 -0.14 -0.55 8.25 7.88 1zbqE1 ILE 111 HA 0.03 -0.03 0.53 -0.75 4.18 3.95 1zbqE1 ILE 111 HB -0.10 0.07 0.11 -0.04 1.89 1.92 1zbqE1 ILE 111 HG12 0.09 0.01 -0.07 -0.04 1.49 1.48 1zbqE1 ILE 111 HG13 -0.02 0.17 -0.03 -0.04 1.21 1.30 1zbqE1 ILE 111 HG23 0.23 0.02 -0.08 -0.04 0.93 1.06 1zbqE1 ILE 111 HD13 0.24 -0.06 0.00 -0.04 0.88 1.02 1zbqE1 SER 112 H 0.03 0.05 0.22 -0.55 8.46 8.22 1zbqE1 SER 112 HA -0.02 0.25 0.60 -0.75 4.49 4.57 1zbqE1 SER 112 HB2 0.01 -0.04 0.20 -0.04 3.95 4.08 1zbqE1 SER 112 HB3 0.01 0.20 0.14 -0.04 3.93 4.23 1zbqE1 ASP 113 H -0.00 0.22 0.18 -0.55 8.40 8.25 1zbqE1 ASP 113 HA 0.03 0.14 0.49 -0.75 4.63 4.54 1zbqE1 ASP 113 HB2 0.01 -0.02 0.17 -0.04 2.71 2.83 1zbqE1 ASP 113 HB3 0.02 0.03 0.05 -0.04 2.70 2.76 1zbqE1 GLU 114 H 0.04 0.11 -0.06 -0.55 8.60 8.15 1zbqE1 GLU 114 HA 0.07 0.08 0.42 -0.75 4.29 4.11 1zbqE1 GLU 114 HB2 0.03 0.04 0.11 -0.04 2.09 2.23 1zbqE1 GLU 114 HB3 0.04 -0.01 0.06 -0.04 1.99 2.03 1zbqE1 GLU 114 HG2 0.02 0.06 -0.01 -0.04 2.34 2.37 1zbqE1 GLU 114 HG3 0.04 0.01 -0.12 -0.04 2.34 2.22 1zbqE1 ASP 115 H 0.07 0.03 -0.25 -0.55 8.40 7.70 1zbqE1 ASP 115 HA 0.07 0.08 0.41 -0.75 4.63 4.43 1zbqE1 ASP 115 HB2 0.11 0.08 0.13 -0.04 2.71 2.98 1zbqE1 ASP 115 HB3 0.10 0.07 0.04 -0.04 2.70 2.87 1zbqE1 TRP 116 H 0.28 0.44 -0.32 -0.55 7.97 7.82 1zbqE1 TRP 116 HA 0.12 -0.02 0.45 -0.75 4.62 4.42 1zbqE1 TRP 116 HB2 -0.02 0.05 0.06 -0.04 3.23 3.29 1zbqE1 TRP 116 HB3 -0.02 0.09 0.19 -0.04 3.23 3.45 1zbqE1 TRP 116 HD1 -0.12 0.01 -0.19 -0.04 7.22 6.87 1zbqE1 TRP 116 HE1 -0.43 0.02 -0.05 -0.04 10.20 9.70 1zbqE1 TRP 116 HE3 0.05 -0.04 -0.02 -0.04 7.59 7.54 1zbqE1 TRP 116 HZ2 -0.21 0.03 -0.02 -0.04 7.44 7.20 1zbqE1 TRP 116 HZ3 0.18 -0.05 -0.17 -0.04 7.13 7.05 1zbqE1 TRP 116 HH2 0.09 0.04 -0.01 -0.04 7.19 7.26 1zbqE1 ASP 117 H 0.29 0.70 0.10 -0.55 8.40 8.93 1zbqE1 ASP 117 HA 0.20 0.01 0.36 -0.75 4.63 4.44 1zbqE1 ASP 117 HB2 0.11 0.02 0.15 -0.04 2.71 2.95 1zbqE1 ASP 117 HB3 0.10 -0.02 0.00 -0.04 2.70 2.74 1zbqE1 ILE 118 H 0.09 0.66 -0.11 -0.55 8.25 8.34 1zbqE1 ILE 118 HA 0.05 0.00 0.38 -0.75 4.18 3.86 1zbqE1 ILE 118 HB 0.05 0.06 0.10 -0.04 1.89 2.05 1zbqE1 ILE 118 HG12 0.02 -0.04 -0.08 -0.04 1.49 1.35 1zbqE1 ILE 118 HG13 0.03 -0.08 0.07 -0.04 1.21 1.18 1zbqE1 ILE 118 HG23 0.05 0.04 -0.11 -0.04 0.93 0.86 1zbqE1 ILE 118 HD13 0.01 0.03 0.03 -0.04 0.88 0.91 1zbqE1 ILE 119 H 0.06 0.45 -0.22 -0.55 8.25 7.99 1zbqE1 ILE 119 HA 0.15 0.00 0.48 -0.75 4.18 4.05 1zbqE1 ILE 119 HB -0.04 0.20 0.16 -0.04 1.89 2.17 1zbqE1 ILE 119 HG12 0.08 0.09 0.02 -0.04 1.49 1.63 1zbqE1 ILE 119 HG13 0.07 -0.06 0.01 -0.04 1.21 1.19 1zbqE1 ILE 119 HG23 -0.21 -0.04 -0.21 -0.04 0.93 0.44 1zbqE1 ILE 119 HD13 0.22 -0.07 -0.11 -0.04 0.88 0.87 1zbqE1 HIS 120 H 0.05 0.59 -0.09 -0.55 8.41 8.41 1zbqE1 HIS 120 HA -0.11 -0.03 0.47 -0.75 4.63 4.22 1zbqE1 HIS 120 HB2 -0.19 0.14 0.11 -0.04 3.26 3.29 1zbqE1 HIS 120 HB3 -0.08 -0.03 0.02 -0.04 3.20 3.08 1zbqE1 HIS 120 HD2 -0.12 0.01 -0.01 -0.04 6.97 6.80 1zbqE1 HIS 120 HE1 -1.72 0.07 0.13 -0.04 7.75 6.18 1zbqE1 ARG 121 H 0.08 0.75 -0.00 -0.55 8.46 8.73 1zbqE1 ARG 121 HA 0.07 0.02 0.50 -0.75 4.34 4.17 1zbqE1 ARG 121 HB2 0.05 0.05 0.08 -0.04 1.90 2.04 1zbqE1 ARG 121 HB3 0.05 -0.06 -0.00 -0.04 1.80 1.75 1zbqE1 ARG 121 HG2 0.08 -0.03 0.02 -0.04 1.67 1.70 1zbqE1 ARG 121 HG3 0.08 0.25 0.06 -0.04 1.67 2.02 1zbqE1 ARG 121 HD2 0.05 -0.01 -0.02 -0.04 3.22 3.20 1zbqE1 ARG 121 HD3 0.06 -0.01 -0.05 -0.04 3.22 3.18 1zbqE1 VAL 122 H 0.02 0.44 -0.31 -0.55 8.24 7.84 1zbqE1 VAL 122 HA -0.02 -0.01 0.49 -0.75 4.13 3.83 1zbqE1 VAL 122 HB -0.10 0.13 0.14 -0.04 2.12 2.25 1zbqE1 VAL 122 HG13 -0.20 -0.01 -0.25 -0.04 0.97 0.47 1zbqE1 VAL 122 HG23 -0.02 -0.01 -0.02 -0.04 0.95 0.85 1zbqE1 HIS 123 H 0.03 0.57 0.09 -0.55 8.41 8.56 1zbqE1 HIS 123 HA -0.04 0.19 0.39 -0.75 4.63 4.42 1zbqE1 HIS 123 HB2 -0.22 0.01 0.20 -0.04 3.26 3.21 1zbqE1 HIS 123 HB3 -0.16 0.05 0.00 -0.04 3.20 3.05 1zbqE1 HIS 123 HD2 -0.07 0.11 0.23 -0.04 6.97 7.19 1zbqE1 HIS 123 HE1 0.17 0.01 0.09 -0.04 7.75 7.97 1zbqE1 LEU 124 H -0.00 0.23 0.01 -0.55 8.37 8.07 1zbqE1 LEU 124 HA 0.02 0.14 0.31 -0.75 4.35 4.06 1zbqE1 LEU 124 HB2 -0.13 -0.02 0.11 -0.04 1.64 1.55 1zbqE1 LEU 124 HB3 -0.02 0.07 0.24 -0.04 1.64 1.90 1zbqE1 LEU 124 HG 0.02 0.01 -0.17 -0.04 1.64 1.46 1zbqE1 LEU 124 HD13 -0.01 0.01 -0.16 -0.04 0.93 0.74 1zbqE1 LEU 124 HD23 0.05 0.00 0.01 -0.04 0.89 0.91 1zbqE1 ARG 125 H 0.06 0.64 0.20 -0.55 8.46 8.81 1zbqE1 ARG 125 HA 0.19 0.05 0.54 -0.75 4.34 4.37 1zbqE1 ARG 125 HB2 0.09 0.00 0.10 -0.04 1.90 2.05 1zbqE1 ARG 125 HB3 0.09 0.11 0.16 -0.04 1.80 2.12 1zbqE1 ARG 125 HG2 0.18 0.00 0.01 -0.04 1.67 1.83 1zbqE1 ARG 125 HG3 0.17 0.00 0.07 -0.04 1.67 1.88 1zbqE1 ARG 125 HD2 0.08 -0.01 -0.01 -0.04 3.22 3.24 1zbqE1 ARG 125 HD3 0.09 -0.03 0.02 -0.04 3.22 3.26 1zbqE1 GLY 126 H 0.06 0.17 -0.59 -0.55 8.43 7.51 1zbqE1 GLY 126 HA2 0.04 0.08 0.24 -0.51 4.01 3.85 1zbqE1 GLY 126 HA3 0.02 0.18 0.14 -0.51 4.01 3.84 1zbqE1 SER 127 H 0.05 0.45 -0.22 -0.55 8.46 8.19 1zbqE1 SER 127 HA 0.04 -0.06 0.47 -0.75 4.49 4.19 1zbqE1 SER 127 HB2 0.07 0.12 0.20 -0.04 3.95 4.29 1zbqE1 SER 127 HB3 0.06 -0.04 0.06 -0.04 3.93 3.97 1zbqE1 PHE 128 H 0.20 0.46 -0.31 -0.55 8.34 8.13 1zbqE1 PHE 128 HA -0.02 0.02 0.42 -0.75 4.62 4.30 1zbqE1 PHE 128 HB2 -0.02 -0.01 0.08 -0.04 3.15 3.17 1zbqE1 PHE 128 HB3 -0.00 0.08 0.21 -0.04 3.06 3.30 1zbqE1 PHE 128 HD2 -0.03 0.03 0.03 -0.04 7.28 7.26 1zbqE1 PHE 128 HE2 -0.04 0.00 -0.03 -0.04 7.38 7.27 1zbqE1 PHE 128 HZ -0.03 0.01 -0.03 -0.04 7.32 7.23 1zbqE1 GLN 129 H 0.01 0.64 -0.08 -0.55 8.47 8.49 1zbqE1 GLN 129 HA -0.48 0.00 0.37 -0.75 4.36 3.50 1zbqE1 GLN 129 HB2 -0.02 0.26 0.33 -0.04 2.15 2.68 1zbqE1 GLN 129 HB3 -0.07 -0.34 0.08 -0.04 2.02 1.65 1zbqE1 GLN 129 HG2 0.10 0.21 0.15 -0.04 2.40 2.82 1zbqE1 GLN 129 HG3 0.04 0.04 0.12 -0.04 2.39 2.54 1zbqE1 GLN 129 HE21 0.10 -0.02 0.02 -0.04 6.97 7.03 1zbqE1 GLN 129 HE22 0.26 0.01 0.03 -0.04 7.69 7.96 1zbqE1 VAL 130 H -0.04 0.68 0.01 -0.55 8.24 8.33 1zbqE1 VAL 130 HA -0.02 0.01 0.41 -0.75 4.13 3.76 1zbqE1 VAL 130 HB 0.01 0.12 0.15 -0.04 2.12 2.35 1zbqE1 VAL 130 HG13 0.01 -0.01 -0.13 -0.04 0.97 0.80 1zbqE1 VAL 130 HG23 -0.00 0.02 0.08 -0.04 0.95 1.00 1zbqE1 THR 131 H -0.02 0.60 -0.18 -0.55 8.28 8.13 1zbqE1 THR 131 HA 0.09 0.02 0.28 -0.75 4.39 4.02 1zbqE1 THR 131 HB 0.02 0.02 0.07 -0.04 4.32 4.39 1zbqE1 THR 131 HG23 0.20 -0.01 -0.08 -0.04 1.22 1.28 1zbqE1 ARG 132 H -0.21 0.76 -0.04 -0.55 8.46 8.42 1zbqE1 ARG 132 HA -0.04 0.01 0.44 -0.75 4.34 4.00 1zbqE1 ARG 132 HB2 -0.54 0.03 0.12 -0.04 1.90 1.47 1zbqE1 ARG 132 HB3 -0.44 0.03 0.10 -0.04 1.80 1.45 1zbqE1 ARG 132 HG2 -0.08 -0.02 -0.04 -0.04 1.67 1.49 1zbqE1 ARG 132 HG3 -0.11 -0.01 0.04 -0.04 1.67 1.54 1zbqE1 ARG 132 HD2 -0.05 -0.02 -0.03 -0.04 3.22 3.08 1zbqE1 ARG 132 HD3 -0.09 -0.02 -0.02 -0.04 3.22 3.05 1zbqE1 ALA 133 H -0.07 0.48 -0.32 -0.55 8.40 7.94 1zbqE1 ALA 133 HA 0.02 -0.01 0.38 -0.75 4.34 3.98 1zbqE1 ALA 133 HB3 0.01 0.01 0.01 -0.04 1.41 1.39 1zbqE1 ALA 134 H 0.09 0.39 -0.21 -0.55 8.40 8.12 1zbqE1 ALA 134 HA 0.20 0.05 0.56 -0.75 4.34 4.39 1zbqE1 ALA 134 HB3 0.09 0.02 0.02 -0.04 1.41 1.50 1zbqE1 TRP 135 H 0.26 0.37 -0.32 -0.55 7.97 7.74 1zbqE1 TRP 135 HA -0.00 0.05 0.09 -0.75 4.62 4.01 1zbqE1 TRP 135 HB2 -0.01 0.12 0.09 -0.04 3.23 3.39 1zbqE1 TRP 135 HB3 -0.03 0.02 0.15 -0.04 3.23 3.33 1zbqE1 TRP 135 HD1 -0.02 -0.02 -0.17 -0.04 7.22 6.97 1zbqE1 TRP 135 HE1 0.00 0.02 -0.09 -0.04 10.20 10.09 1zbqE1 TRP 135 HE3 0.00 0.01 -0.11 -0.04 7.59 7.46 1zbqE1 TRP 135 HZ2 0.01 0.05 -0.39 -0.04 7.44 7.07 1zbqE1 TRP 135 HZ3 0.01 -0.02 -0.16 -0.04 7.13 6.91 1zbqE1 TRP 135 HH2 0.01 0.18 -0.06 -0.04 7.19 7.27 1zbqE1 GLU 136 H 0.10 0.22 -0.04 -0.55 8.60 8.34 1zbqE1 GLU 136 HA -0.04 0.08 0.44 -0.75 4.29 4.01 1zbqE1 GLU 136 HB2 -0.09 0.03 0.10 -0.04 2.09 2.09 1zbqE1 GLU 136 HB3 -0.11 0.03 0.04 -0.04 1.99 1.91 1zbqE1 GLU 136 HG2 0.08 0.03 0.03 -0.04 2.34 2.44 1zbqE1 GLU 136 HG3 0.18 -0.02 0.01 -0.04 2.34 2.47 1zbqE1 HIS 137 H -0.15 0.17 -0.29 -0.55 8.41 7.60 1zbqE1 HIS 137 HA -0.03 0.03 0.60 -0.75 4.63 4.48 1zbqE1 HIS 137 HB2 -0.01 0.23 0.18 -0.04 3.26 3.62 1zbqE1 HIS 137 HB3 -0.02 -0.01 0.09 -0.04 3.20 3.22 1zbqE1 HIS 137 HD2 0.01 0.17 0.13 -0.04 6.97 7.24 1zbqE1 HIS 137 HE1 0.00 -0.03 -0.03 -0.04 7.75 7.65 1zbqE1 MET 138 H -0.05 0.38 -0.06 -0.55 8.47 8.19 1zbqE1 MET 138 HA -0.06 0.22 0.52 -0.75 4.52 4.44 1zbqE1 MET 138 HB2 -0.36 0.01 0.11 -0.04 2.15 1.87 1zbqE1 MET 138 HB3 -0.32 -0.01 -0.12 -0.04 2.03 1.54 1zbqE1 MET 138 HG2 -0.07 0.25 0.26 -0.04 2.63 3.04 1zbqE1 MET 138 HG3 -0.03 -0.01 0.04 -0.04 2.56 2.52 1zbqE1 MET 138 HE3 0.00 -0.01 -0.22 -0.04 2.10 1.83 1zbqE1 LYS 139 H -0.30 0.40 -0.10 -0.55 8.42 7.87 1zbqE1 LYS 139 HA -0.25 0.11 0.43 -0.75 4.32 3.85 1zbqE1 LYS 140 H -0.08 0.41 -0.17 -0.55 8.42 8.02 1zbqE1 LYS 140 HA -0.04 0.01 0.44 -0.75 4.32 3.98 1zbqE1 LYS 140 HB2 -0.04 0.08 0.20 -0.04 1.87 2.07 1zbqE1 LYS 140 HB3 -0.01 0.04 0.13 -0.04 1.79 1.92 1zbqE1 GLN 141 H -0.03 0.45 -0.10 -0.55 8.47 8.24 1zbqE1 GLN 141 HA -0.02 0.03 0.64 -0.75 4.36 4.27 1zbqE1 GLN 141 HB2 -0.01 -0.06 0.13 -0.04 2.15 2.17 1zbqE1 GLN 141 HB3 0.00 -0.09 0.14 -0.04 2.02 2.03 1zbqE1 GLN 141 HG2 -0.02 0.13 0.26 -0.04 2.40 2.72 1zbqE1 GLN 141 HG3 0.04 -0.01 -0.01 -0.04 2.39 2.38 1zbqE1 GLN 141 HE21 0.03 0.47 0.21 -0.04 6.97 7.64 1zbqE1 GLN 141 HE22 0.05 0.44 0.26 -0.04 7.69 8.40 1zbqE1 LYS 142 H -0.07 0.13 -0.61 -0.55 8.42 7.32 1zbqE1 LYS 142 HA -0.09 0.08 0.40 -0.75 4.32 3.96 1zbqE1 LYS 142 HB2 -0.02 0.05 0.12 -0.04 1.87 1.98 1zbqE1 LYS 142 HB3 -0.04 -0.06 0.19 -0.04 1.79 1.84 1zbqE1 TYR 143 H -0.04 0.44 0.00 -0.55 8.29 8.14 1zbqE1 TYR 143 HA -0.17 0.25 0.50 -0.75 4.56 4.39 1zbqE1 TYR 143 HB2 -0.11 0.14 -0.06 -0.04 3.06 2.99 1zbqE1 TYR 143 HB3 -0.10 -0.12 -0.00 -0.04 2.98 2.71 1zbqE1 TYR 143 HD2 -0.12 0.00 -0.06 -0.04 7.15 6.93 1zbqE1 TYR 143 HE2 -0.12 -0.05 -0.04 -0.04 6.85 6.61 1zbqE1 GLY 144 H -0.75 0.67 0.37 -0.55 8.43 8.18 1zbqE1 GLY 144 HA2 -0.17 0.25 0.57 -0.51 4.01 4.16 1zbqE1 GLY 144 HA3 -0.27 -0.11 0.42 -0.51 4.01 3.54 1zbqE1 ARG 145 H -0.12 0.39 0.35 -0.55 8.46 8.54 1zbqE1 ARG 145 HA -0.13 0.18 0.82 -0.75 4.34 4.45 1zbqE1 ARG 145 HB2 -0.01 -0.08 0.19 -0.04 1.90 1.95 1zbqE1 ARG 145 HB3 -0.03 -0.01 0.08 -0.04 1.80 1.80 1zbqE1 ARG 145 HG2 -0.47 -0.05 -0.38 -0.04 1.67 0.73 1zbqE1 ARG 145 HG3 -0.03 0.15 -0.28 -0.04 1.67 1.46 1zbqE1 ARG 145 HD2 -0.10 0.17 0.06 -0.04 3.22 3.31 1zbqE1 ARG 145 HD3 -0.27 -0.06 0.23 -0.04 3.22 3.08 1zbqE1 ILE 146 H 0.01 0.61 0.33 -0.55 8.25 8.65 1zbqE1 ILE 146 HA 0.02 0.30 1.16 -0.75 4.18 4.91 1zbqE1 ILE 146 HB 0.10 0.02 0.12 -0.04 1.89 2.09 1zbqE1 ILE 146 HG12 0.09 -0.06 -0.06 -0.04 1.49 1.42 1zbqE1 ILE 146 HG13 0.03 -0.04 -0.58 -0.04 1.21 0.58 1zbqE1 ILE 146 HG23 0.09 -0.04 -0.14 -0.04 0.93 0.79 1zbqE1 ILE 146 HD13 0.25 0.00 -0.18 -0.04 0.88 0.92 1zbqE1 ILE 147 H 0.04 0.51 0.46 -0.55 8.25 8.71 1zbqE1 ILE 147 HA 0.04 0.32 1.09 -0.75 4.18 4.89 1zbqE1 ILE 147 HB 0.02 -0.13 0.18 -0.04 1.89 1.92 1zbqE1 ILE 147 HG12 0.01 0.05 -0.28 -0.04 1.49 1.23 1zbqE1 ILE 147 HG13 -0.05 -0.08 -0.12 -0.04 1.21 0.92 1zbqE1 ILE 147 HG23 0.03 -0.02 -0.28 -0.04 0.93 0.61 1zbqE1 ILE 147 HD13 0.00 0.04 -0.13 -0.04 0.88 0.75 1zbqE1 MET 148 H 0.05 0.67 0.40 -0.55 8.47 9.05 1zbqE1 MET 148 HA 0.06 0.16 1.01 -0.75 4.52 4.99 1zbqE1 MET 148 HB2 0.04 -0.04 0.01 -0.04 2.15 2.11 1zbqE1 MET 148 HB3 0.03 -0.03 -0.02 -0.04 2.03 1.98 1zbqE1 MET 148 HG2 0.06 0.02 -0.14 -0.04 2.63 2.52 1zbqE1 MET 148 HG3 0.04 0.05 -0.06 -0.04 2.56 2.55 1zbqE1 MET 148 HE3 0.04 -0.01 0.09 -0.04 2.10 2.18 1zbqE1 THR 149 H 0.06 0.24 0.18 -0.55 8.28 8.20 1zbqE1 THR 149 HA 0.08 0.16 1.09 -0.75 4.39 4.96 1zbqE1 THR 149 HB 0.10 -0.03 0.27 -0.04 4.32 4.62 1zbqE1 THR 149 HG23 0.12 0.01 0.02 -0.04 1.22 1.32 1zbqE1 SER 150 H 0.03 0.53 0.26 -0.55 8.46 8.73 1zbqE1 SER 150 HA -0.07 0.11 0.81 -0.75 4.49 4.58 1zbqE1 SER 150 HB2 -0.02 -0.02 0.03 -0.04 3.95 3.89 1zbqE1 SER 150 HB3 -0.02 0.03 0.00 -0.04 3.93 3.90 1zbqE1 SER 151 H -0.06 0.23 0.18 -0.55 8.46 8.27 1zbqE1 SER 151 HA 0.07 0.21 0.57 -0.75 4.49 4.59 1zbqE1 SER 151 HB2 0.17 -0.06 0.11 -0.04 3.95 4.13 1zbqE1 SER 151 HB3 0.05 0.23 -0.09 -0.04 3.93 4.08 1zbqE1 ALA 152 H 0.12 0.30 0.11 -0.55 8.40 8.38 1zbqE1 ALA 152 HA 0.10 0.13 0.48 -0.75 4.34 4.29 1zbqE1 ALA 152 HB3 0.24 0.05 0.06 -0.04 1.41 1.73 1zbqE1 SER 153 H 0.16 0.08 -0.21 -0.55 8.46 7.95 1zbqE1 SER 153 HA 0.15 0.24 0.18 -0.75 4.49 4.31 1zbqE1 SER 153 HB2 0.17 -0.01 -0.10 -0.04 3.95 3.97 1zbqE1 SER 153 HB3 0.17 0.05 -0.03 -0.04 3.93 4.07 1zbqE1 GLY 154 H 0.01 0.07 -0.35 -0.55 8.43 7.62 1zbqE1 GLY 154 HA2 -0.02 0.08 0.57 -0.51 4.01 4.13 1zbqE1 GLY 154 HA3 -0.07 -0.02 0.28 -0.51 4.01 3.69 1zbqE1 ILE 155 H -0.11 0.35 -0.07 -0.55 8.25 7.87 1zbqE1 ILE 155 HA -0.20 0.05 0.34 -0.75 4.18 3.62 1zbqE1 ILE 155 HB -0.57 0.01 0.11 -0.04 1.89 1.40 1zbqE1 ILE 155 HG12 -0.24 0.02 -0.06 -0.04 1.49 1.17 1zbqE1 ILE 155 HG13 -0.15 -0.04 0.03 -0.04 1.21 1.00 1zbqE1 ILE 155 HG23 -0.88 0.01 -0.12 -0.04 0.93 -0.10 1zbqE1 ILE 155 HD13 -0.11 -0.04 -0.24 -0.04 0.88 0.45 1zbqE1 TYR 156 H -0.01 0.38 -0.15 -0.55 8.29 7.95 1zbqE1 TYR 156 HA 0.03 0.17 0.84 -0.75 4.56 4.85 1zbqE1 TYR 156 HB2 0.03 0.07 -0.00 -0.04 3.06 3.12 1zbqE1 TYR 156 HB3 0.03 -0.04 0.07 -0.04 2.98 2.99 1zbqE1 TYR 156 HD2 0.01 0.02 -0.01 -0.04 7.15 7.13 1zbqE1 TYR 156 HE2 -0.01 -0.02 -0.04 -0.04 6.85 6.73 1zbqE1 GLY 157 H 0.10 0.23 -0.17 -0.55 8.43 8.05 1zbqE1 GLY 157 HA2 0.09 0.02 0.40 -0.51 4.01 4.01 1zbqE1 GLY 157 HA3 0.10 0.09 0.66 -0.51 4.01 4.35 1zbqE1 ASN 158 H 0.10 0.16 0.06 -0.55 8.53 8.30 1zbqE1 ASN 158 HA 0.13 0.13 0.41 -0.75 4.76 4.68 1zbqE1 ASN 158 HB2 0.13 0.06 -0.21 -0.04 2.88 2.82 1zbqE1 ASN 158 HB3 0.12 -0.11 -0.05 -0.04 2.79 2.71 1zbqE1 ASN 158 HD21 0.07 0.03 -0.05 -0.04 7.03 7.05 1zbqE1 ASN 158 HD22 0.08 -0.11 -0.08 -0.04 7.74 7.59 1zbqE1 PHE 159 H 0.25 0.21 0.07 -0.55 8.34 8.32 1zbqE1 PHE 159 HA 0.06 -0.03 0.48 -0.75 4.62 4.38 1zbqE1 PHE 159 HB2 0.04 0.07 0.15 -0.04 3.15 3.36 1zbqE1 PHE 159 HB3 0.04 0.04 0.05 -0.04 3.06 3.16 1zbqE1 PHE 159 HD2 0.04 0.03 -0.11 -0.04 7.28 7.20 1zbqE1 PHE 159 HE2 0.04 0.02 0.02 -0.04 7.38 7.42 1zbqE1 PHE 159 HZ 0.04 0.02 0.03 -0.04 7.32 7.38 1zbqE1 GLY 160 H -0.27 0.07 0.25 -0.55 8.43 7.93 1zbqE1 GLY 160 HA2 0.02 0.01 0.16 -0.51 4.01 3.69 1zbqE1 GLY 160 HA3 0.17 0.13 0.25 -0.51 4.01 4.05 1zbqE1 GLN 161 H 0.07 0.31 -0.09 -0.55 8.47 8.21 1zbqE1 GLN 161 HA 0.09 0.14 0.91 -0.75 4.36 4.75 1zbqE1 GLN 161 HB2 0.12 0.13 -0.03 -0.04 2.15 2.33 1zbqE1 GLN 161 HB3 0.15 -0.13 0.12 -0.04 2.02 2.12 1zbqE1 GLN 161 HG2 -0.00 0.05 -0.18 -0.04 2.40 2.23 1zbqE1 GLN 161 HG3 0.07 0.19 -0.36 -0.04 2.39 2.25 1zbqE1 GLN 161 HE21 -0.22 0.02 -0.04 -0.04 6.97 6.69 1zbqE1 GLN 161 HE22 -0.14 -0.01 -0.03 -0.04 7.69 7.47 1zbqE1 ALA 162 H 0.15 0.18 0.05 -0.55 8.40 8.25 1zbqE1 ALA 162 HA 0.15 0.13 0.40 -0.75 4.34 4.27 1zbqE1 ALA 162 HB3 0.33 0.04 0.12 -0.04 1.41 1.85 1zbqE1 ASN 163 H 0.24 0.14 -0.11 -0.55 8.53 8.25 1zbqE1 ASN 163 HA -0.10 0.13 0.46 -0.75 4.76 4.49 1zbqE1 ASN 163 HB2 -0.07 0.07 0.00 -0.04 2.88 2.84 1zbqE1 ASN 163 HB3 0.34 0.04 0.04 -0.04 2.79 3.16 1zbqE1 ASN 163 HD21 0.10 0.58 0.13 -0.04 7.03 7.80 1zbqE1 ASN 163 HD22 0.17 -0.08 -0.10 -0.04 7.74 7.69 1zbqE1 TYR 164 H 0.14 0.08 -0.17 -0.55 8.29 7.79 1zbqE1 TYR 164 HA -0.30 0.06 0.36 -0.75 4.56 3.94 1zbqE1 TYR 164 HB2 -0.06 -0.06 0.10 -0.04 3.06 3.00 1zbqE1 TYR 164 HB3 -0.04 0.12 0.09 -0.04 2.98 3.11 1zbqE1 TYR 164 HD2 -0.11 0.02 -0.03 -0.04 7.15 6.99 1zbqE1 TYR 164 HE2 0.02 0.00 -0.02 -0.04 6.85 6.82 1zbqE1 SER 165 H 0.10 0.56 -0.19 -0.55 8.46 8.38 1zbqE1 SER 165 HA -0.09 -0.07 0.27 -0.75 4.49 3.85 1zbqE1 SER 165 HB2 0.06 0.18 -0.40 -0.04 3.95 3.74 1zbqE1 SER 165 HB3 0.13 0.06 -0.04 -0.04 3.93 4.04 1zbqE1 ALA 166 H 0.01 0.46 -0.16 -0.55 8.40 8.16 1zbqE1 ALA 166 HA 0.05 0.07 0.55 -0.75 4.34 4.26 1zbqE1 ALA 166 HB3 0.14 0.04 0.14 -0.04 1.41 1.69 1zbqE1 ALA 167 H -0.42 0.50 -0.06 -0.55 8.40 7.88 1zbqE1 ALA 167 HA -0.39 0.02 0.44 -0.75 4.34 3.66 1zbqE1 ALA 167 HB3 -0.87 -0.00 0.06 -0.04 1.41 0.55 1zbqE1 LYS 168 H -0.41 0.64 -0.07 -0.55 8.42 8.03 1zbqE1 LYS 168 HA -0.25 0.11 0.43 -0.75 4.32 3.86 1zbqE1 LYS 168 HB2 -0.33 0.00 0.15 -0.04 1.87 1.65 1zbqE1 LYS 168 HB3 -0.22 -0.20 0.08 -0.04 1.79 1.41 1zbqE1 LYS 168 HG2 -1.19 0.12 0.05 -0.04 1.46 0.39 1zbqE1 LYS 168 HG3 -0.73 -0.11 -0.11 -0.04 1.46 0.47 1zbqE1 LYS 168 HD2 -0.21 0.13 0.19 -0.04 1.69 1.75 1zbqE1 LYS 168 HD3 -0.47 -0.08 -0.01 -0.04 1.68 1.09 1zbqE1 LYS 168 HE2 -0.46 -0.12 -0.02 -0.04 2.99 2.34 1zbqE1 LYS 168 HE3 -0.11 0.06 -0.17 -0.04 2.99 2.73 1zbqE1 LEU 169 H -0.11 0.56 -0.14 -0.55 8.37 8.13 1zbqE1 LEU 169 HA -0.05 0.03 0.63 -0.75 4.35 4.22 1zbqE1 LEU 169 HB2 -0.02 0.12 0.11 -0.04 1.64 1.82 1zbqE1 LEU 169 HB3 0.01 0.03 0.03 -0.04 1.64 1.67 1zbqE1 LEU 169 HG 0.04 -0.08 0.02 -0.04 1.64 1.59 1zbqE1 LEU 169 HD13 -0.05 -0.02 -0.23 -0.04 0.93 0.58 1zbqE1 LEU 169 HD23 0.08 0.07 -0.04 -0.04 0.89 0.96 1zbqE1 GLY 170 H -0.05 0.53 -0.14 -0.55 8.43 8.22 1zbqE1 GLY 170 HA2 0.01 0.01 0.46 -0.51 4.01 3.98 1zbqE1 GLY 170 HA3 -0.01 0.06 0.31 -0.51 4.01 3.86 1zbqE1 LEU 171 H -0.06 0.47 -0.26 -0.55 8.37 7.97 1zbqE1 LEU 171 HA -0.00 0.00 0.43 -0.75 4.35 4.03 1zbqE1 LEU 171 HB2 -0.05 0.26 0.10 -0.04 1.64 1.91 1zbqE1 LEU 171 HB3 -0.00 -0.07 -0.08 -0.04 1.64 1.44 1zbqE1 LEU 171 HG -0.05 0.06 -0.01 -0.04 1.64 1.60 1zbqE1 LEU 171 HD13 -0.01 -0.03 -0.02 -0.04 0.93 0.83 1zbqE1 LEU 171 HD23 0.02 0.02 0.03 -0.04 0.89 0.93 1zbqE1 LEU 172 H -0.02 0.31 -0.25 -0.55 8.37 7.86 1zbqE1 LEU 172 HA 0.00 0.03 0.40 -0.75 4.35 4.03 1zbqE1 LEU 172 HB2 -0.03 -0.05 0.07 -0.04 1.64 1.59 1zbqE1 LEU 172 HB3 0.00 0.17 0.11 -0.04 1.64 1.89 1zbqE1 LEU 172 HG 0.04 0.01 -0.27 -0.04 1.64 1.37 1zbqE1 LEU 172 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.80 1zbqE1 LEU 172 HD23 -0.04 0.00 -0.07 -0.04 0.89 0.74 1zbqE1 GLY 173 H 0.01 0.47 -0.19 -0.55 8.43 8.18 1zbqE1 GLY 173 HA2 0.04 0.01 0.39 -0.51 4.01 3.94 1zbqE1 GLY 173 HA3 0.02 0.05 0.30 -0.51 4.01 3.88 1zbqE1 LEU 174 H 0.00 0.52 -0.18 -0.55 8.37 8.16 1zbqE1 LEU 174 HA -0.02 0.00 0.44 -0.75 4.35 4.02 1zbqE1 LEU 174 HB2 -0.00 -0.02 0.07 -0.04 1.64 1.64 1zbqE1 LEU 174 HB3 0.01 0.18 0.16 -0.04 1.64 1.96 1zbqE1 LEU 174 HG 0.02 0.02 -0.23 -0.04 1.64 1.41 1zbqE1 LEU 174 HD13 -0.01 -0.02 0.00 -0.04 0.93 0.87 1zbqE1 LEU 174 HD23 0.08 -0.01 -0.07 -0.04 0.89 0.85 1zbqE1 ALA 175 H 0.02 0.54 -0.14 -0.55 8.40 8.27 1zbqE1 ALA 175 HA 0.04 -0.03 0.32 -0.75 4.34 3.91 1zbqE1 ALA 175 HB3 0.03 0.02 -0.02 -0.04 1.41 1.40 1zbqE1 ASN 176 H 0.02 0.62 -0.18 -0.55 8.53 8.45 1zbqE1 ASN 176 HA 0.03 0.06 0.37 -0.75 4.76 4.47 1zbqE1 ASN 176 HB2 0.03 0.11 0.13 -0.04 2.88 3.11 1zbqE1 ASN 176 HB3 0.04 -0.07 0.03 -0.04 2.79 2.75 1zbqE1 ASN 176 HD21 0.14 -0.05 -0.10 -0.04 7.03 6.97 1zbqE1 ASN 176 HD22 0.08 -0.04 -0.02 -0.04 7.74 7.72 1zbqE1 SER 177 H 0.01 0.37 -0.25 -0.55 8.46 8.04 1zbqE1 SER 177 HA 0.01 0.05 0.68 -0.75 4.49 4.48 1zbqE1 SER 177 HB2 -0.04 0.11 0.14 -0.04 3.95 4.12 1zbqE1 SER 177 HB3 -0.04 -0.05 0.05 -0.04 3.93 3.85 1zbqE1 LEU 178 H -0.00 0.52 0.01 -0.55 8.37 8.35 1zbqE1 LEU 178 HA -0.06 0.00 0.45 -0.75 4.35 3.99 1zbqE1 LEU 178 HB2 0.07 0.06 0.09 -0.04 1.64 1.81 1zbqE1 LEU 178 HB3 0.21 0.01 -0.10 -0.04 1.64 1.72 1zbqE1 LEU 178 HG -0.09 0.15 -0.00 -0.04 1.64 1.65 1zbqE1 LEU 178 HD13 0.05 -0.02 -0.15 -0.04 0.93 0.77 1zbqE1 LEU 178 HD23 -0.68 -0.01 -0.06 -0.04 0.89 0.09 1zbqE1 ALA 179 H 0.08 0.60 -0.16 -0.55 8.40 8.37 1zbqE1 ALA 179 HA 0.12 0.01 0.46 -0.75 4.34 4.18 1zbqE1 ALA 179 HB3 0.05 0.05 0.11 -0.04 1.41 1.58 1zbqE1 ILE 180 H 0.06 0.25 -0.27 -0.55 8.25 7.75 1zbqE1 ILE 180 HA 0.06 0.05 0.53 -0.75 4.18 4.07 1zbqE1 ILE 180 HB 0.04 0.11 0.22 -0.04 1.89 2.22 1zbqE1 ILE 180 HG12 0.03 -0.04 0.10 -0.04 1.49 1.54 1zbqE1 ILE 180 HG13 0.04 0.22 0.20 -0.04 1.21 1.62 1zbqE1 ILE 180 HG23 0.04 -0.03 -0.03 -0.04 0.93 0.87 1zbqE1 ILE 180 HD13 0.02 -0.05 0.08 -0.04 0.88 0.89 1zbqE1 GLU 181 H 0.12 0.49 0.00 -0.55 8.60 8.66 1zbqE1 GLU 181 HA 0.15 0.02 0.38 -0.75 4.29 4.08 1zbqE1 GLU 181 HB2 0.15 0.03 0.08 -0.04 2.09 2.30 1zbqE1 GLU 181 HB3 0.28 -0.03 0.04 -0.04 1.99 2.24 1zbqE1 GLU 181 HG2 0.06 -0.04 0.01 -0.04 2.34 2.32 1zbqE1 GLU 181 HG3 0.02 0.13 0.06 -0.04 2.34 2.50 1zbqE1 GLY 182 H 0.33 0.58 -0.21 -0.55 8.43 8.59 1zbqE1 GLY 182 HA2 0.02 0.01 0.49 -0.51 4.01 4.02 1zbqE1 GLY 182 HA3 0.16 0.14 0.25 -0.51 4.01 4.05 1zbqE1 ARG 183 H 0.11 0.31 -0.22 -0.55 8.46 8.11 1zbqE1 ARG 183 HA 0.11 0.09 0.23 -0.75 4.34 4.02 1zbqE1 ARG 183 HB2 0.06 0.14 0.20 -0.04 1.90 2.26 1zbqE1 ARG 183 HB3 0.06 0.06 0.22 -0.04 1.80 2.10 1zbqE1 ARG 183 HG2 0.04 -0.00 -0.29 -0.04 1.67 1.37 1zbqE1 ARG 183 HG3 0.03 0.00 0.01 -0.04 1.67 1.68 1zbqE1 ARG 183 HD2 0.02 -0.03 0.03 -0.04 3.22 3.19 1zbqE1 ARG 183 HD3 0.03 0.03 0.07 -0.04 3.22 3.32 1zbqE1 LYS 184 H 0.04 0.17 -0.08 -0.55 8.42 8.00 1zbqE1 LYS 184 HA 0.02 0.06 0.41 -0.75 4.32 4.06 1zbqE1 SER 185 H -0.03 0.39 -0.50 -0.55 8.46 7.77 1zbqE1 SER 185 HA -0.06 0.16 0.78 -0.75 4.49 4.62 1zbqE1 SER 185 HB2 -0.19 0.08 0.04 -0.04 3.95 3.85 1zbqE1 SER 185 HB3 -0.17 0.01 0.14 -0.04 3.93 3.87 1zbqE1 ASN 186 H -0.05 0.43 -0.20 -0.55 8.53 8.16 1zbqE1 ASN 186 HA -0.17 0.02 0.26 -0.75 4.76 4.11 1zbqE1 ASN 186 HB2 -0.08 -0.08 -0.09 -0.04 2.88 2.59 1zbqE1 ASN 186 HB3 -0.13 0.37 -0.00 -0.04 2.79 2.98 1zbqE1 ASN 186 HD21 0.03 -0.05 0.12 -0.04 7.03 7.08 1zbqE1 ASN 186 HD22 0.04 0.22 0.19 -0.04 7.74 8.15 1zbqE1 ILE 187 H -0.17 0.37 -0.33 -0.55 8.25 7.58 1zbqE1 ILE 187 HA -0.39 0.31 0.92 -0.75 4.18 4.26 1zbqE1 ILE 187 HB -0.34 -0.09 0.04 -0.04 1.89 1.45 1zbqE1 ILE 187 HG12 -0.41 0.02 -0.39 -0.04 1.49 0.67 1zbqE1 ILE 187 HG13 -0.34 0.21 -0.59 -0.04 1.21 0.45 1zbqE1 ILE 187 HG23 -0.38 -0.05 -0.32 -0.04 0.93 0.13 1zbqE1 ILE 187 HD13 -0.83 -0.04 -0.27 -0.04 0.88 -0.31 1zbqE1 HIS 188 H -0.24 0.64 0.15 -0.55 8.41 8.41 1zbqE1 HIS 188 HA -0.03 0.11 0.93 -0.75 4.63 4.88 1zbqE1 HIS 188 HB2 -0.13 0.06 0.13 -0.04 3.26 3.27 1zbqE1 HIS 188 HB3 -0.07 -0.00 0.10 -0.04 3.20 3.19 1zbqE1 HIS 188 HD2 -0.07 0.04 -0.52 -0.04 6.97 6.37 1zbqE1 HIS 188 HE1 -0.10 0.08 0.04 -0.04 7.75 7.73 1zbqE1 CYS 189 H 0.10 0.16 0.22 -0.55 8.50 8.44 1zbqE1 CYS 189 HA 0.08 0.31 0.93 -0.75 4.58 5.15 1zbqE1 CYS 189 HB2 0.18 0.05 -0.24 -0.04 2.97 2.92 1zbqE1 CYS 189 HB3 0.11 -0.03 0.04 -0.04 2.97 3.04 1zbqE1 ASN 190 H 0.06 0.63 0.36 -0.55 8.53 9.03 1zbqE1 ASN 190 HA 0.07 0.12 0.90 -0.75 4.76 5.10 1zbqE1 ASN 190 HB2 0.06 0.07 -0.02 -0.04 2.88 2.95 1zbqE1 ASN 190 HB3 0.23 0.01 0.03 -0.04 2.79 3.01 1zbqE1 ASN 190 HD21 -0.03 0.56 -0.24 -0.04 7.03 7.28 1zbqE1 ASN 190 HD22 0.00 0.09 -0.19 -0.04 7.74 7.61 1zbqE1 THR 191 H 0.11 0.72 0.35 -0.55 8.28 8.91 1zbqE1 THR 191 HA 0.06 0.23 1.12 -0.75 4.39 5.04 1zbqE1 THR 191 HB -0.01 0.00 0.12 -0.04 4.32 4.40 1zbqE1 THR 191 HG23 0.01 -0.02 -0.13 -0.04 1.22 1.03 1zbqE1 ILE 192 H 0.07 0.62 0.44 -0.55 8.25 8.83 1zbqE1 ILE 192 HA 0.14 0.27 1.08 -0.75 4.18 4.91 1zbqE1 ILE 192 HB 0.11 -0.04 -0.01 -0.04 1.89 1.91 1zbqE1 ILE 192 HG12 0.08 0.10 0.00 -0.04 1.49 1.62 1zbqE1 ILE 192 HG13 0.11 -0.05 -0.04 -0.04 1.21 1.19 1zbqE1 ILE 192 HG23 0.08 0.01 -0.24 -0.04 0.93 0.73 1zbqE1 ILE 192 HD13 0.12 -0.02 -0.12 -0.04 0.88 0.82 1zbqE1 ALA 193 H 0.11 0.67 0.22 -0.55 8.40 8.86 1zbqE1 ALA 193 HA 0.08 0.22 0.50 -0.75 4.34 4.38 1zbqE1 ALA 193 HB3 0.06 -0.05 -0.07 -0.04 1.41 1.31 1zbqE1 PRO 194 HA 0.15 0.31 0.63 -0.51 4.44 5.02 1zbqE1 PRO 194 HB2 0.13 -0.04 -0.03 -0.04 2.28 2.31 1zbqE1 PRO 194 HB3 0.16 0.03 0.01 -0.04 2.02 2.18 1zbqE1 PRO 194 HG2 0.12 -0.03 -0.00 -0.04 2.03 2.08 1zbqE1 PRO 194 HG3 0.16 0.05 -0.01 -0.04 2.03 2.18 1zbqE1 PRO 194 HD2 0.11 0.21 0.16 -0.04 3.68 4.12 1zbqE1 PRO 194 HD3 0.11 0.18 -0.27 -0.04 3.65 3.64 1zbqE1 ASN 195 H 0.13 0.37 0.24 -0.55 8.53 8.74 1zbqE1 ASN 195 HA 0.09 0.06 0.71 -0.75 4.76 4.87 1zbqE1 ASN 195 HB2 0.13 -0.03 0.19 -0.04 2.88 3.13 1zbqE1 ASN 195 HB3 0.09 -0.03 0.01 -0.04 2.79 2.82 1zbqE1 ASN 195 HD21 0.17 -0.02 -0.18 -0.04 7.03 6.96 1zbqE1 ASN 195 HD22 0.18 0.32 -0.17 -0.04 7.74 8.03 1zbqE1 ALA 196 H 0.05 0.23 0.09 -0.55 8.40 8.23 1zbqE1 ALA 196 HA 0.03 0.28 0.68 -0.75 4.34 4.58 1zbqE1 ALA 196 HB3 0.01 -0.00 -0.16 -0.04 1.41 1.22 1zbqE1 GLY 197 H -0.02 0.89 0.30 -0.55 8.43 9.06 1zbqE1 GLY 197 HA2 -0.02 -0.08 0.68 -0.51 4.01 4.08 1zbqE1 GLY 197 HA3 -0.03 0.40 0.48 -0.51 4.01 4.36 1zbqE1 SER 198 H -0.05 0.17 0.26 -0.55 8.46 8.29 1zbqE1 SER 198 HA -0.06 0.20 0.53 -0.75 4.49 4.41 1zbqE1 SER 198 HB2 -0.05 -0.11 0.21 -0.04 3.95 3.95 1zbqE1 SER 198 HB3 -0.04 0.17 -0.17 -0.04 3.93 3.85 1zbqE1 ARG 199 H -0.09 0.18 0.18 -0.55 8.46 8.18 1zbqE1 ARG 199 HA -0.19 0.16 0.50 -0.75 4.34 4.06 1zbqE1 ARG 199 HB2 -0.18 0.07 0.13 -0.04 1.90 1.88 1zbqE1 ARG 199 HB3 -0.09 0.04 0.15 -0.04 1.80 1.87 1zbqE1 ARG 199 HG2 -0.07 -0.11 0.08 -0.04 1.67 1.53 1zbqE1 ARG 199 HG3 -0.24 0.02 -0.20 -0.04 1.67 1.21 1zbqE1 ARG 199 HD2 0.07 -0.00 0.03 -0.04 3.22 3.27 1zbqE1 ARG 199 HD3 0.01 0.04 0.03 -0.04 3.22 3.25 1zbqE1 MET 200 H -0.14 0.02 -0.19 -0.55 8.47 7.61 1zbqE1 MET 200 HA -0.40 0.12 0.50 -0.75 4.52 3.99 1zbqE1 MET 200 HB2 -0.00 -0.03 0.08 -0.04 2.15 2.16 1zbqE1 MET 200 HB3 -0.02 0.03 0.01 -0.04 2.03 2.01 1zbqE1 MET 200 HG2 0.01 0.03 -0.09 -0.04 2.63 2.54 1zbqE1 MET 200 HG3 0.14 -0.00 0.03 -0.04 2.56 2.69 1zbqE1 MET 200 HE3 0.17 -0.03 -0.21 -0.04 2.10 1.99 1zbqE1 THR 201 H -0.10 0.06 -0.20 -0.55 8.28 7.49 1zbqE1 THR 201 HA -0.05 0.17 0.59 -0.75 4.39 4.34 1zbqE1 THR 201 HB -0.02 0.02 0.09 -0.04 4.32 4.37 1zbqE1 THR 201 HG23 0.00 0.01 0.00 -0.04 1.22 1.19 1zbqE1 GLN 202 H -0.15 0.24 -0.20 -0.55 8.47 7.82 1zbqE1 GLN 202 HA -0.06 0.07 0.37 -0.75 4.36 3.98 1zbqE1 GLN 202 HB2 -0.17 0.08 0.12 -0.04 2.15 2.13 1zbqE1 GLN 202 HB3 -0.08 0.03 -0.03 -0.04 2.02 1.90 1zbqE1 GLN 202 HG2 -0.06 -0.00 0.02 -0.04 2.40 2.31 1zbqE1 GLN 202 HG3 -0.09 0.17 -0.00 -0.04 2.39 2.42 1zbqE1 GLN 202 HE21 -0.04 0.01 -0.03 -0.04 6.97 6.86 1zbqE1 GLN 202 HE22 -0.04 0.01 -0.05 -0.04 7.69 7.56 1zbqE1 THR 203 H -0.11 0.12 -0.41 -0.55 8.28 7.33 1zbqE1 THR 203 HA -0.02 0.09 0.38 -0.75 4.39 4.09 1zbqE1 THR 203 HB 0.03 0.01 -0.03 -0.04 4.32 4.29 1zbqE1 THR 203 HG23 0.05 -0.01 0.02 -0.04 1.22 1.24 1zbqE1 VAL 204 H -0.03 0.21 -0.20 -0.55 8.24 7.68 1zbqE1 VAL 204 HA -0.00 0.21 0.85 -0.75 4.13 4.44 1zbqE1 VAL 204 HB 0.00 -0.01 0.08 -0.04 2.12 2.16 1zbqE1 VAL 204 HG13 0.01 -0.02 -0.11 -0.04 0.97 0.81 1zbqE1 VAL 204 HG23 -0.01 -0.01 0.01 -0.04 0.95 0.89 1zbqE1 MET 205 H -0.02 0.36 -0.03 -0.55 8.47 8.23 1zbqE1 MET 205 HA -0.01 0.22 0.97 -0.75 4.52 4.96 1zbqE1 MET 205 HB2 -0.02 -0.06 -0.06 -0.04 2.15 1.97 1zbqE1 MET 205 HB3 -0.01 -0.03 0.00 -0.04 2.03 1.96 1zbqE1 MET 205 HG2 0.00 0.06 -0.19 -0.04 2.63 2.46 1zbqE1 MET 205 HG3 -0.01 0.04 -0.06 -0.04 2.56 2.49 1zbqE1 MET 205 HE3 -0.01 -0.01 -0.19 -0.04 2.10 1.85 1zbqE1 PRO 206 HA -0.01 0.16 0.60 -0.51 4.44 4.68 1zbqE1 PRO 206 HB2 -0.00 -0.13 0.04 -0.04 2.28 2.14 1zbqE1 PRO 206 HB3 -0.01 0.07 0.13 -0.04 2.02 2.18 1zbqE1 PRO 206 HG2 -0.01 0.06 0.09 -0.04 2.03 2.13 1zbqE1 PRO 206 HG3 -0.01 0.12 0.06 -0.04 2.03 2.17 1zbqE1 PRO 206 HD2 -0.00 0.02 0.21 -0.04 3.68 3.87 1zbqE1 PRO 206 HD3 -0.01 0.28 0.24 -0.04 3.65 4.13 1zbqE1 GLU 207 H -0.01 0.20 0.18 -0.55 8.60 8.42 1zbqE1 GLU 207 HA -0.02 0.09 0.26 -0.75 4.29 3.87 1zbqE1 ASP 208 H -0.00 0.09 -0.15 -0.55 8.40 7.79 1zbqE1 ASP 208 HA -0.00 0.11 0.42 -0.75 4.63 4.40 1zbqE1 ASP 208 HB2 0.00 0.07 -0.02 -0.04 2.71 2.72 1zbqE1 ASP 208 HB3 -0.00 0.04 0.07 -0.04 2.70 2.76 1zbqE1 LEU 209 H -0.00 0.19 -0.29 -0.55 8.37 7.72 1zbqE1 LEU 209 HA 0.01 0.08 0.51 -0.75 4.35 4.20 1zbqE1 LEU 209 HB2 0.00 -0.02 0.06 -0.04 1.64 1.65 1zbqE1 LEU 209 HB3 -0.00 0.16 0.10 -0.04 1.64 1.86 1zbqE1 LEU 209 HG 0.01 -0.02 -0.17 -0.04 1.64 1.42 1zbqE1 LEU 209 HD13 0.02 -0.00 -0.02 -0.04 0.93 0.88 1zbqE1 LEU 209 HD23 0.00 0.01 0.01 -0.04 0.89 0.87 1zbqE1 VAL 210 H -0.01 0.50 -0.13 -0.55 8.24 8.05 1zbqE1 VAL 210 HA -0.02 -0.07 0.39 -0.75 4.13 3.68 1zbqE1 VAL 210 HB -0.02 0.18 0.07 -0.04 2.12 2.30 1zbqE1 VAL 210 HG13 -0.04 -0.05 -0.22 -0.04 0.97 0.63 1zbqE1 VAL 210 HG23 -0.03 0.01 -0.14 -0.04 0.95 0.75 1zbqE1 GLU 211 H -0.01 0.41 -0.30 -0.55 8.60 8.15 1zbqE1 GLU 211 HA -0.03 0.01 0.39 -0.75 4.29 3.91 1zbqE1 ALA 212 H 0.01 0.29 -0.23 -0.55 8.40 7.92 1zbqE1 ALA 212 HA 0.05 0.06 0.46 -0.75 4.34 4.15 1zbqE1 ALA 212 HB3 0.05 -0.01 0.13 -0.04 1.41 1.53 1zbqE1 LEU 213 H 0.02 0.62 -0.07 -0.55 8.37 8.40 1zbqE1 LEU 213 HA 0.15 0.07 0.62 -0.75 4.35 4.44 1zbqE1 LEU 213 HB2 0.03 0.13 0.10 -0.04 1.64 1.85 1zbqE1 LEU 213 HB3 0.04 -0.18 0.12 -0.04 1.64 1.58 1zbqE1 LEU 213 HG 0.06 0.03 -0.05 -0.04 1.64 1.64 1zbqE1 LEU 213 HD13 0.04 -0.03 -0.22 -0.04 0.93 0.68 1zbqE1 LEU 213 HD23 0.12 0.05 -0.02 -0.04 0.89 0.99 1zbqE1 LYS 214 H -0.29 0.39 0.15 -0.55 8.42 8.11 1zbqE1 LYS 214 HA -0.21 0.19 0.37 -0.75 4.32 3.92 1zbqE1 LYS 214 HB2 -1.63 -0.05 0.11 -0.04 1.87 0.26 1zbqE1 LYS 214 HB3 -0.45 -0.10 0.10 -0.04 1.79 1.31 1zbqE1 LYS 214 HG2 -0.19 0.20 -0.03 -0.04 1.46 1.40 1zbqE1 LYS 214 HG3 -0.32 0.22 0.09 -0.04 1.46 1.41 1zbqE1 LYS 214 HD2 -0.21 -0.03 0.03 -0.04 1.69 1.44 1zbqE1 LYS 214 HD3 -0.16 -0.06 0.04 -0.04 1.68 1.45 1zbqE1 LYS 214 HE2 -0.02 0.25 0.09 -0.04 2.99 3.27 1zbqE1 LYS 214 HE3 0.08 -0.01 0.06 -0.04 2.99 3.07 1zbqE1 PRO 215 HA -0.02 0.08 0.55 -0.51 4.44 4.54 1zbqE1 PRO 215 HB2 -0.10 0.06 -0.12 -0.04 2.28 2.08 1zbqE1 PRO 215 HB3 -0.09 -0.08 -0.07 -0.04 2.02 1.74 1zbqE1 PRO 215 HG2 -0.10 0.05 0.07 -0.04 2.03 2.00 1zbqE1 PRO 215 HG3 -0.09 0.00 0.02 -0.04 2.03 1.92 1zbqE1 PRO 215 HD2 -0.14 0.16 0.29 -0.04 3.68 3.94 1zbqE1 PRO 215 HD3 -0.09 0.30 0.25 -0.04 3.65 4.07 1zbqE1 GLU 216 H -0.20 0.17 -0.25 -0.55 8.60 7.77 1zbqE1 GLU 216 HA 0.00 0.08 0.43 -0.75 4.29 4.05 1zbqE1 GLU 216 HB2 -0.21 0.01 -0.01 -0.04 2.09 1.84 1zbqE1 GLU 216 HB3 0.01 0.10 0.04 -0.04 1.99 2.09 1zbqE1 GLU 216 HG2 -0.04 0.09 0.00 -0.04 2.34 2.35 1zbqE1 GLU 216 HG3 -0.03 0.03 0.01 -0.04 2.34 2.31 1zbqE1 TYR 217 H -0.10 0.39 -0.60 -0.55 8.29 7.43 1zbqE1 TYR 217 HA 0.03 0.22 0.60 -0.75 4.56 4.66 1zbqE1 TYR 217 HB2 0.06 0.05 0.02 -0.04 3.06 3.15 1zbqE1 TYR 217 HB3 0.06 -0.09 -0.03 -0.04 2.98 2.87 1zbqE1 TYR 217 HD2 0.03 -0.05 -0.11 -0.04 7.15 6.99 1zbqE1 TYR 217 HE2 0.02 0.16 0.09 -0.04 6.85 7.08 1zbqE1 VAL 218 H 0.13 0.31 -0.32 -0.55 8.24 7.81 1zbqE1 VAL 218 HA 0.12 0.15 0.70 -0.75 4.13 4.35 1zbqE1 VAL 218 HB 0.22 0.11 0.09 -0.04 2.12 2.50 1zbqE1 VAL 218 HG13 0.22 -0.01 -0.12 -0.04 0.97 1.01 1zbqE1 VAL 218 HG23 0.14 -0.02 -0.14 -0.04 0.95 0.89 1zbqE1 ALA 219 H 0.16 0.28 -0.02 -0.55 8.40 8.27 1zbqE1 ALA 219 HA 0.08 -0.03 0.23 -0.75 4.34 3.86 1zbqE1 ALA 219 HB3 0.09 0.04 -0.06 -0.04 1.41 1.44 1zbqE1 PRO 220 HA -0.02 0.08 0.38 -0.51 4.44 4.37 1zbqE1 PRO 220 HB2 -0.00 0.04 -0.15 -0.04 2.28 2.13 1zbqE1 PRO 220 HB3 -0.01 0.05 -0.01 -0.04 2.02 2.01 1zbqE1 PRO 220 HG2 0.06 0.07 -0.05 -0.04 2.03 2.06 1zbqE1 PRO 220 HG3 0.03 0.05 -0.01 -0.04 2.03 2.05 1zbqE1 PRO 220 HD2 0.08 0.00 -0.82 -0.04 3.68 2.90 1zbqE1 PRO 220 HD3 0.07 0.20 -0.10 -0.04 3.65 3.78 1zbqE1 LEU 221 H 0.00 0.33 -0.34 -0.55 8.37 7.82 1zbqE1 LEU 221 HA 0.03 0.08 0.48 -0.75 4.35 4.18 1zbqE1 LEU 221 HB2 -0.05 0.01 0.02 -0.04 1.64 1.58 1zbqE1 LEU 221 HB3 -0.03 0.10 0.06 -0.04 1.64 1.73 1zbqE1 LEU 221 HG -0.13 -0.00 -0.34 -0.04 1.64 1.13 1zbqE1 LEU 221 HD13 -0.29 -0.00 -0.05 -0.04 0.93 0.55 1zbqE1 LEU 221 HD23 -0.06 -0.01 -0.12 -0.04 0.89 0.65 1zbqE1 VAL 222 H -0.12 0.30 -0.16 -0.55 8.24 7.71 1zbqE1 VAL 222 HA -0.14 0.02 0.25 -0.75 4.13 3.50 1zbqE1 VAL 222 HB -0.48 0.10 0.03 -0.04 2.12 1.73 1zbqE1 VAL 222 HG13 -0.39 -0.00 -0.20 -0.04 0.97 0.34 1zbqE1 VAL 222 HG23 -0.69 0.00 -0.13 -0.04 0.95 0.09 1zbqE1 LEU 223 H -0.19 0.56 -0.24 -0.55 8.37 7.95 1zbqE1 LEU 223 HA -0.27 0.04 0.21 -0.75 4.35 3.57 1zbqE1 LEU 223 HB2 -0.12 0.05 0.04 -0.04 1.64 1.57 1zbqE1 LEU 223 HB3 0.11 0.05 -0.15 -0.04 1.64 1.61 1zbqE1 LEU 223 HG -1.03 0.01 -0.14 -0.04 1.64 0.45 1zbqE1 LEU 223 HD13 -0.90 -0.04 -0.16 -0.04 0.93 -0.21 1zbqE1 LEU 223 HD23 -0.10 0.03 -0.20 -0.04 0.89 0.58 1zbqE1 TRP 224 H 0.20 0.45 -0.23 -0.55 7.97 7.84 1zbqE1 TRP 224 HA 0.04 0.02 0.43 -0.75 4.62 4.36 1zbqE1 TRP 224 HB2 -0.07 -0.01 0.09 -0.04 3.23 3.21 1zbqE1 TRP 224 HB3 -0.10 0.07 0.18 -0.04 3.23 3.33 1zbqE1 TRP 224 HD1 -0.19 -0.03 -0.07 -0.04 7.22 6.89 1zbqE1 TRP 224 HE1 -0.10 -0.05 -0.06 -0.04 10.20 9.95 1zbqE1 TRP 224 HE3 -0.09 0.02 0.04 -0.04 7.59 7.52 1zbqE1 TRP 224 HZ2 -0.03 -0.04 -0.01 -0.04 7.44 7.32 1zbqE1 TRP 224 HZ3 -0.08 -0.00 -0.12 -0.04 7.13 6.88 1zbqE1 TRP 224 HH2 -0.01 0.10 -0.12 -0.04 7.19 7.12 1zbqE1 LEU 225 H -0.05 0.63 -0.10 -0.55 8.37 8.31 1zbqE1 LEU 225 HA -0.53 -0.01 0.32 -0.75 4.35 3.38 1zbqE1 LEU 225 HB2 -0.11 0.05 -0.02 -0.04 1.64 1.53 1zbqE1 LEU 225 HB3 -0.12 -0.03 -0.05 -0.04 1.64 1.40 1zbqE1 LEU 225 HG -0.25 0.04 -0.03 -0.04 1.64 1.35 1zbqE1 LEU 225 HD13 -0.24 -0.04 -0.20 -0.04 0.93 0.40 1zbqE1 LEU 225 HD23 -0.34 -0.02 -0.09 -0.04 0.89 0.41 1zbqE1 CYS 226 H 0.08 0.28 -0.67 -0.55 8.50 7.65 1zbqE1 CYS 226 HA 0.05 0.12 0.68 -0.75 4.58 4.68 1zbqE1 CYS 226 HB2 0.37 0.07 -0.05 -0.04 2.97 3.32 1zbqE1 CYS 226 HB3 0.28 -0.08 0.03 -0.04 2.97 3.15 1zbqE1 HIS 227 H 0.05 0.39 -0.29 -0.55 8.41 8.01 1zbqE1 HIS 227 HA -0.03 0.11 0.64 -0.75 4.63 4.59 1zbqE1 HIS 227 HB2 0.14 0.17 0.10 -0.04 3.26 3.63 1zbqE1 HIS 227 HB3 -0.08 -0.03 0.11 -0.04 3.20 3.16 1zbqE1 HIS 227 HD2 -1.02 0.09 -0.13 -0.04 6.97 5.86 1zbqE1 HIS 227 HE1 -0.03 0.04 0.04 -0.04 7.75 7.75 1zbqE1 GLU 228 H -0.82 0.16 0.16 -0.55 8.60 7.55 1zbqE1 GLU 228 HA 0.06 0.18 0.40 -0.75 4.29 4.18 1zbqE1 GLU 228 HB2 0.03 0.05 0.10 -0.04 2.09 2.22 1zbqE1 GLU 228 HB3 -0.17 0.03 0.13 -0.04 1.99 1.94 1zbqE1 GLU 228 HG2 -0.61 -0.01 0.10 -0.04 2.34 1.78 1zbqE1 GLU 228 HG3 -0.13 -0.00 -0.09 -0.04 2.34 2.08 1zbqE1 SER 229 H 0.36 0.01 -0.24 -0.55 8.46 8.04 1zbqE1 SER 229 HA 0.10 0.14 0.43 -0.75 4.49 4.40 1zbqE1 SER 229 HB2 0.21 -0.02 0.08 -0.04 3.95 4.18 1zbqE1 SER 229 HB3 0.27 -0.02 0.04 -0.04 3.93 4.18 1zbqE1 CYS 230 H -0.14 0.38 -0.46 -0.55 8.50 7.73 1zbqE1 CYS 230 HA -0.59 -0.07 0.61 -0.75 4.58 3.77 1zbqE1 CYS 230 HB2 -1.38 0.09 0.11 -0.04 2.97 1.74 1zbqE1 CYS 230 HB3 -0.45 0.25 0.06 -0.04 2.97 2.78 1zbqE1 GLU 231 H -0.10 0.01 0.18 -0.55 8.60 8.14 1zbqE1 GLU 231 HA 0.00 0.30 0.75 -0.75 4.29 4.59 1zbqE1 GLU 231 HB2 0.02 -0.08 0.05 -0.04 2.09 2.03 1zbqE1 GLU 231 HB3 -0.03 -0.04 0.09 -0.04 1.99 1.97 1zbqE1 GLU 231 HG2 0.05 0.07 -0.07 -0.04 2.34 2.35 1zbqE1 GLU 231 HG3 0.05 0.13 -0.12 -0.04 2.34 2.36 1zbqE1 GLU 232 H -0.20 -0.00 -0.03 -0.55 8.60 7.82 1zbqE1 GLU 232 HA -0.06 0.02 0.39 -0.75 4.29 3.88 1zbqE1 GLU 232 HB2 -0.02 -0.03 0.07 -0.04 2.09 2.06 1zbqE1 GLU 232 HB3 -0.14 0.05 0.02 -0.04 1.99 1.88 1zbqE1 GLU 232 HG2 0.29 -0.03 -0.08 -0.04 2.34 2.47 1zbqE1 GLU 232 HG3 0.16 -0.06 -0.20 -0.04 2.34 2.20 1zbqE1 ASN 233 H -0.08 0.23 0.20 -0.55 8.53 8.32 1zbqE1 ASN 233 HA -0.09 0.07 0.72 -0.75 4.76 4.71 1zbqE1 ASN 233 HB2 -0.61 0.18 -0.19 -0.04 2.88 2.23 1zbqE1 ASN 233 HB3 -0.17 -0.03 0.11 -0.04 2.79 2.66 1zbqE1 ASN 233 HD21 0.07 0.31 0.21 -0.04 7.03 7.57 1zbqE1 ASN 233 HD22 -0.03 -0.05 0.04 -0.04 7.74 7.66 1zbqE1 GLY 234 H 0.02 0.71 0.36 -0.55 8.43 8.98 1zbqE1 GLY 234 HA2 0.02 0.05 0.40 -0.51 4.01 3.98 1zbqE1 GLY 234 HA3 0.00 0.06 0.46 -0.51 4.01 4.03 1zbqE1 GLY 235 H 0.06 0.03 -0.12 -0.55 8.43 7.85 1zbqE1 GLY 235 HA2 -0.19 0.19 0.70 -0.51 4.01 4.20 1zbqE1 GLY 235 HA3 -0.12 0.01 0.24 -0.51 4.01 3.62 1zbqE1 LEU 236 H -0.56 0.28 0.24 -0.55 8.37 7.79 1zbqE1 LEU 236 HA -0.16 0.25 0.92 -0.75 4.35 4.61 1zbqE1 LEU 236 HB2 -0.16 0.03 -0.04 -0.04 1.64 1.42 1zbqE1 LEU 236 HB3 -0.28 0.09 0.16 -0.04 1.64 1.57 1zbqE1 LEU 236 HG -0.18 -0.04 -0.38 -0.04 1.64 1.00 1zbqE1 LEU 236 HD13 -0.07 -0.00 -0.20 -0.04 0.93 0.62 1zbqE1 LEU 236 HD23 -0.24 -0.01 -0.11 -0.04 0.89 0.49 1zbqE1 PHE 237 H 0.06 0.55 0.29 -0.55 8.34 8.69 1zbqE1 PHE 237 HA -0.06 0.28 1.16 -0.75 4.62 5.25 1zbqE1 PHE 237 HB2 -0.03 -0.06 0.08 -0.04 3.15 3.10 1zbqE1 PHE 237 HB3 -0.08 0.08 0.03 -0.04 3.06 3.05 1zbqE1 PHE 237 HD2 -0.06 0.13 -0.18 -0.04 7.28 7.13 1zbqE1 PHE 237 HE2 -0.03 -0.00 -0.14 -0.04 7.38 7.16 1zbqE1 PHE 237 HZ -0.01 0.01 -0.09 -0.04 7.32 7.19 1zbqE1 GLU 238 H 0.07 0.39 0.20 -0.55 8.60 8.72 1zbqE1 GLU 238 HA 0.16 0.21 0.92 -0.75 4.29 4.83 1zbqE1 GLU 238 HB2 0.37 -0.02 0.04 -0.04 2.09 2.44 1zbqE1 GLU 238 HB3 0.42 0.01 -0.03 -0.04 1.99 2.35 1zbqE1 GLU 238 HG2 0.15 0.01 -0.01 -0.04 2.34 2.45 1zbqE1 GLU 238 HG3 0.13 0.00 -0.14 -0.04 2.34 2.29 1zbqE1 VAL 239 H 0.22 0.42 0.17 -0.55 8.24 8.51 1zbqE1 VAL 239 HA 0.14 0.30 0.99 -0.75 4.13 4.81 1zbqE1 VAL 239 HB 0.03 0.08 -0.29 -0.04 2.12 1.90 1zbqE1 VAL 239 HG13 0.12 -0.05 -0.17 -0.04 0.97 0.83 1zbqE1 VAL 239 HG23 0.08 0.01 -0.06 -0.04 0.95 0.94 1zbqE1 GLY 240 H 0.30 0.67 0.33 -0.55 8.43 9.19 1zbqE1 GLY 240 HA2 0.20 0.05 0.32 -0.51 4.01 4.07 1zbqE1 GLY 240 HA3 0.20 0.09 0.58 -0.51 4.01 4.37 1zbqE1 ALA 241 H 0.29 0.23 0.14 -0.55 8.40 8.51 1zbqE1 ALA 241 HA 0.27 0.05 0.40 -0.75 4.34 4.31 1zbqE1 ALA 241 HB3 0.09 0.05 -0.07 -0.04 1.41 1.43 1zbqE1 GLY 242 H 0.12 0.06 -0.74 -0.55 8.43 7.33 1zbqE1 GLY 242 HA2 -0.10 0.02 0.30 -0.51 4.01 3.73 1zbqE1 GLY 242 HA3 -0.14 0.19 0.88 -0.51 4.01 4.42 1zbqE1 TRP 243 H 0.27 0.48 0.21 -0.55 7.97 8.38 1zbqE1 TRP 243 HA -0.01 0.16 0.79 -0.75 4.62 4.81 1zbqE1 TRP 243 HB2 -0.01 0.00 -0.02 -0.04 3.23 3.16 1zbqE1 TRP 243 HB3 0.01 0.07 0.11 -0.04 3.23 3.38 1zbqE1 TRP 243 HD1 -0.00 0.01 0.02 -0.04 7.22 7.20 1zbqE1 TRP 243 HE1 0.01 -0.00 -0.03 -0.04 10.20 10.14 1zbqE1 TRP 243 HE3 0.04 -0.08 -0.29 -0.04 7.59 7.22 1zbqE1 TRP 243 HZ2 0.02 0.01 -0.06 -0.04 7.44 7.37 1zbqE1 TRP 243 HZ3 0.06 -0.11 -0.33 -0.04 7.13 6.71 1zbqE1 TRP 243 HH2 0.04 -0.03 -0.10 -0.04 7.19 7.06 1zbqE1 ILE 244 H -0.95 0.29 0.22 -0.55 8.25 7.26 1zbqE1 ILE 244 HA -0.64 0.23 0.88 -0.75 4.18 3.89 1zbqE1 ILE 244 HB -0.36 -0.01 0.06 -0.04 1.89 1.54 1zbqE1 ILE 244 HG12 -0.13 -0.02 -0.04 -0.04 1.49 1.26 1zbqE1 ILE 244 HG13 -0.16 -0.07 -0.66 -0.04 1.21 0.27 1zbqE1 ILE 244 HG23 -0.19 0.00 -0.06 -0.04 0.93 0.63 1zbqE1 ILE 244 HD13 -0.13 0.00 -0.11 -0.04 0.88 0.61 1zbqE1 GLY 245 H -0.90 0.65 0.34 -0.55 8.43 7.98 1zbqE1 GLY 245 HA2 -0.35 0.16 0.65 -0.51 4.01 3.96 1zbqE1 GLY 245 HA3 -0.35 0.01 0.38 -0.51 4.01 3.54 1zbqE1 LYS 246 H -0.00 0.22 0.21 -0.55 8.42 8.29 1zbqE1 LYS 246 HA -0.23 0.26 1.04 -0.75 4.32 4.63 1zbqE1 LYS 246 HB2 0.10 -0.02 -0.06 -0.04 1.87 1.85 1zbqE1 LYS 246 HB3 -0.03 -0.02 0.07 -0.04 1.79 1.78 1zbqE1 LYS 246 HG2 -0.24 0.10 -0.06 -0.04 1.46 1.21 1zbqE1 LYS 246 HG3 -0.74 -0.00 0.08 -0.04 1.46 0.76 1zbqE1 LYS 246 HD2 0.11 -0.02 -0.03 -0.04 1.69 1.70 1zbqE1 LYS 246 HD3 -0.02 -0.01 -0.04 -0.04 1.68 1.57 1zbqE1 LYS 246 HE2 -0.13 0.07 -0.01 -0.04 2.99 2.88 1zbqE1 LYS 246 HE3 -0.20 -0.08 0.02 -0.04 2.99 2.69 1zbqE1 LEU 247 H -0.30 0.63 0.36 -0.55 8.37 8.51 1zbqE1 LEU 247 HA -0.12 0.16 0.95 -0.75 4.35 4.58 1zbqE1 LEU 247 HB2 -0.24 -0.01 0.03 -0.04 1.64 1.39 1zbqE1 LEU 247 HB3 -0.30 0.03 -0.06 -0.04 1.64 1.27 1zbqE1 LEU 247 HG -0.06 0.05 -0.05 -0.04 1.64 1.54 1zbqE1 LEU 247 HD13 0.01 -0.03 -0.36 -0.04 0.93 0.51 1zbqE1 LEU 247 HD23 -0.20 -0.01 -0.12 -0.04 0.89 0.52 1zbqE1 ARG 248 H -0.16 0.26 0.18 -0.55 8.46 8.18 1zbqE1 ARG 248 HA -0.24 0.10 0.43 -0.75 4.34 3.88 1zbqE1 ARG 248 HB2 -0.03 0.05 0.13 -0.04 1.90 2.01 1zbqE1 ARG 248 HB3 -0.09 0.03 -0.14 -0.04 1.80 1.56 1zbqE1 ARG 248 HG2 -0.04 -0.09 -0.10 -0.04 1.67 1.40 1zbqE1 ARG 248 HG3 0.01 0.13 -0.41 -0.04 1.67 1.35 1zbqE1 ARG 248 HD2 0.02 0.07 -0.07 -0.04 3.22 3.20 1zbqE1 ARG 248 HD3 -0.01 -0.03 -0.08 -0.04 3.22 3.05 1zbqE1 TRP 249 H 0.06 0.17 0.12 -0.55 7.97 7.77 1zbqE1 TRP 249 HA -0.01 0.05 0.64 -0.75 4.62 4.54 1zbqE1 TRP 249 HB2 -0.00 0.04 0.11 -0.04 3.23 3.33 1zbqE1 TRP 249 HB3 0.01 0.06 -0.07 -0.04 3.23 3.19 1zbqE1 TRP 249 HD1 -0.02 0.03 -0.00 -0.04 7.22 7.19 1zbqE1 TRP 249 HE1 -0.02 -0.02 -0.05 -0.04 10.20 10.07 1zbqE1 TRP 249 HE3 0.01 0.07 0.10 -0.04 7.59 7.73 1zbqE1 TRP 249 HZ2 -0.03 -0.03 -0.03 -0.04 7.44 7.32 1zbqE1 TRP 249 HZ3 0.01 0.01 0.03 -0.04 7.13 7.13 1zbqE1 TRP 249 HH2 -0.01 0.01 -0.00 -0.04 7.19 7.15 1zbqE1 GLU 250 H 0.31 0.17 0.26 -0.55 8.60 8.79 1zbqE1 GLU 250 HA 0.16 0.32 0.78 -0.75 4.29 4.80 1zbqE1 GLU 250 HB2 0.05 -0.02 0.06 -0.04 2.09 2.14 1zbqE1 GLU 250 HB3 0.10 -0.06 -0.01 -0.04 1.99 1.98 1zbqE1 GLU 250 HG2 0.15 0.08 -0.07 -0.04 2.34 2.46 1zbqE1 GLU 250 HG3 0.06 0.01 -0.05 -0.04 2.34 2.33 1zbqE1 ARG 251 H 0.16 0.71 0.16 -0.55 8.46 8.94 1zbqE1 ARG 251 HA 0.18 0.10 0.92 -0.75 4.34 4.78 1zbqE1 ARG 251 HB2 0.06 -0.04 -0.21 -0.04 1.90 1.66 1zbqE1 ARG 251 HB3 0.04 -0.04 0.01 -0.04 1.80 1.77 1zbqE1 ARG 251 HG2 -0.03 0.23 -0.11 -0.04 1.67 1.71 1zbqE1 ARG 251 HG3 -0.03 -0.03 0.02 -0.04 1.67 1.58 1zbqE1 ARG 251 HD2 -0.06 -0.03 -0.05 -0.04 3.22 3.04 1zbqE1 ARG 251 HD3 -0.04 -0.06 -0.07 -0.04 3.22 3.00 1zbqE1 THR 252 H -0.16 0.11 0.10 -0.55 8.28 7.79 1zbqE1 THR 252 HA -0.17 0.03 0.37 -0.75 4.39 3.87 1zbqE1 THR 252 HB -0.35 0.13 0.09 -0.04 4.32 4.15 1zbqE1 THR 252 HG23 -1.25 -0.04 -0.22 -0.04 1.22 -0.33 1zbqE1 LEU 253 H -0.09 0.23 0.16 -0.55 8.37 8.13 1zbqE1 LEU 253 HA -0.04 0.03 0.58 -0.75 4.35 4.17 1zbqE1 LEU 253 HB2 -0.06 0.04 0.11 -0.04 1.64 1.69 1zbqE1 LEU 253 HB3 -0.04 -0.03 0.06 -0.04 1.64 1.60 1zbqE1 LEU 253 HG -0.02 0.00 -0.03 -0.04 1.64 1.55 1zbqE1 LEU 253 HD13 -0.01 0.01 0.02 -0.04 0.93 0.91 1zbqE1 LEU 253 HD23 -0.01 0.00 0.04 -0.04 0.89 0.89 1zbqE1 GLY 254 H -0.15 0.09 -0.18 -0.55 8.43 7.65 1zbqE1 GLY 254 HA2 -0.15 0.10 0.26 -0.51 4.01 3.71 1zbqE1 GLY 254 HA3 -0.09 0.05 0.23 -0.51 4.01 3.69 1zbqE1 ALA 255 H -0.05 0.19 0.12 -0.55 8.40 8.11 1zbqE1 ALA 255 HA -0.03 0.18 0.71 -0.75 4.34 4.45 1zbqE1 ALA 255 HB3 -0.01 0.01 -0.13 -0.04 1.41 1.24 1zbqE1 ILE 256 H -0.01 0.22 0.06 -0.55 8.25 7.97 1zbqE1 ILE 256 HA 0.00 0.04 0.78 -0.75 4.18 4.26 1zbqE1 ILE 256 HB -0.01 0.02 0.17 -0.04 1.89 2.03 1zbqE1 ILE 256 HG12 -0.01 -0.01 0.03 -0.04 1.49 1.47 1zbqE1 ILE 256 HG13 -0.01 -0.00 -0.03 -0.04 1.21 1.13 1zbqE1 ILE 256 HG23 0.00 0.02 -0.06 -0.04 0.93 0.84 1zbqE1 ILE 256 HD13 -0.01 0.02 0.01 -0.04 0.88 0.86 1zbqE1 VAL 257 H 0.02 0.11 0.09 -0.55 8.24 7.90 1zbqE1 VAL 257 HA 0.01 0.24 0.68 -0.75 4.13 4.31 1zbqE1 VAL 257 HB 0.03 -0.04 -0.10 -0.04 2.12 1.97 1zbqE1 VAL 257 HG13 0.05 0.05 -0.22 -0.04 0.97 0.81 1zbqE1 VAL 257 HG23 0.04 -0.02 -0.11 -0.04 0.95 0.82 1zbqE1 ARG 258 H 0.01 -0.00 0.02 -0.55 8.46 7.94 1zbqE1 ARG 258 HA 0.03 0.07 0.63 -0.75 4.34 4.32 1zbqE1 ARG 258 HB2 0.02 -0.08 0.07 -0.04 1.90 1.87 1zbqE1 ARG 258 HB3 0.01 -0.01 0.07 -0.04 1.80 1.83 1zbqE1 ARG 258 HG2 0.03 0.08 -0.29 -0.04 1.67 1.45 1zbqE1 ARG 258 HG3 0.04 0.07 0.03 -0.04 1.67 1.76 1zbqE1 ARG 258 HD2 0.02 0.01 -0.02 -0.04 3.22 3.18 1zbqE1 ARG 258 HD3 0.02 -0.07 0.01 -0.04 3.22 3.13 1zbqE1 GLN 259 H 0.03 0.18 0.12 -0.55 8.47 8.25 1zbqE1 GLN 259 HA 0.00 0.19 0.81 -0.75 4.36 4.61 1zbqE1 GLN 259 HB2 -0.04 -0.04 0.03 -0.04 2.15 2.07 1zbqE1 GLN 259 HB3 -0.01 0.07 0.05 -0.04 2.02 2.09 1zbqE1 LYS 260 H 0.01 0.21 0.11 -0.55 8.42 8.20 1zbqE1 LYS 260 HA 0.02 -0.03 0.45 -0.75 4.32 4.01 1zbqE1 LYS 260 HB2 0.01 0.28 0.13 -0.04 1.87 2.25 1zbqE1 LYS 260 HB3 0.01 -0.02 0.11 -0.04 1.79 1.85 1zbqE1 ASN 261 H 0.03 0.11 0.16 -0.55 8.53 8.28 1zbqE1 ASN 261 HA 0.02 -0.02 0.30 -0.75 4.76 4.30 1zbqE1 HIS 262 H 0.11 0.45 -0.38 -0.55 8.41 8.05 1zbqE1 HIS 262 HA -0.00 0.16 0.85 -0.75 4.63 4.88 1zbqE1 HIS 262 HB2 -0.00 0.05 -0.17 -0.04 3.26 3.10 1zbqE1 HIS 262 HB3 0.00 -0.07 -0.03 -0.04 3.20 3.05 1zbqE1 HIS 262 HD2 -0.00 0.01 -0.02 -0.04 6.97 6.91 1zbqE1 HIS 262 HE1 -0.00 -0.08 0.01 -0.04 7.75 7.63 1zbqE1 PRO 263 HA 0.00 0.02 0.48 -0.51 4.44 4.43 1zbqE1 PRO 263 HB2 -0.03 0.06 -0.08 -0.04 2.28 2.19 1zbqE1 PRO 263 HB3 -0.05 0.02 0.09 -0.04 2.02 2.03 1zbqE1 PRO 263 HG2 -0.19 -0.01 0.06 -0.04 2.03 1.85 1zbqE1 PRO 263 HG3 -0.15 0.03 0.07 -0.04 2.03 1.93 1zbqE1 PRO 263 HD2 -0.76 0.09 0.23 -0.04 3.68 3.20 1zbqE1 PRO 263 HD3 -0.20 0.16 0.14 -0.04 3.65 3.72 1zbqE1 MET 264 H 0.03 0.10 0.19 -0.55 8.47 8.24 1zbqE1 MET 264 HA 0.06 0.10 0.64 -0.75 4.52 4.57 1zbqE1 MET 264 HB2 0.03 0.04 0.13 -0.04 2.15 2.31 1zbqE1 MET 264 HB3 0.02 -0.02 0.09 -0.04 2.03 2.08 1zbqE1 MET 264 HG2 0.03 0.02 -0.13 -0.04 2.63 2.50 1zbqE1 MET 264 HG3 0.03 -0.00 -0.13 -0.04 2.56 2.42 1zbqE1 MET 264 HE3 0.02 0.01 0.01 -0.04 2.10 2.09 1zbqE1 THR 265 H 0.04 0.16 0.18 -0.55 8.28 8.12 1zbqE1 THR 265 HA 0.01 0.32 0.96 -0.75 4.39 4.93 1zbqE1 THR 265 HB 0.01 -0.09 0.11 -0.04 4.32 4.31 1zbqE1 THR 265 HG23 0.04 0.10 -0.18 -0.04 1.22 1.14 1zbqE1 PRO 266 HA -0.04 0.10 0.66 -0.51 4.44 4.65 1zbqE1 PRO 266 HB2 -0.06 0.05 -0.02 -0.04 2.28 2.21 1zbqE1 PRO 266 HB3 -0.06 0.08 0.12 -0.04 2.02 2.12 1zbqE1 PRO 266 HG2 -0.02 0.01 0.11 -0.04 2.03 2.08 1zbqE1 PRO 266 HG3 -0.03 0.10 0.09 -0.04 2.03 2.15 1zbqE1 PRO 266 HD2 -0.01 0.14 0.27 -0.04 3.68 4.05 1zbqE1 PRO 266 HD3 -0.02 0.19 0.12 -0.04 3.65 3.91 1zbqE1 GLU 267 H -0.01 0.15 -0.17 -0.55 8.60 8.03 1zbqE1 GLU 267 HA -0.03 0.10 0.47 -0.75 4.29 4.08 1zbqE1 GLU 267 HB2 0.01 0.00 0.05 -0.04 2.09 2.11 1zbqE1 GLU 267 HB3 0.00 0.06 -0.01 -0.04 1.99 2.00 1zbqE1 GLU 267 HG2 -0.00 0.06 0.02 -0.04 2.34 2.37 1zbqE1 GLU 267 HG3 -0.02 0.02 0.02 -0.04 2.34 2.32 1zbqE1 ALA 268 H 0.01 0.13 -0.25 -0.55 8.40 7.75 1zbqE1 ALA 268 HA 0.02 0.10 0.50 -0.75 4.34 4.20 1zbqE1 ALA 268 HB3 0.02 0.05 0.10 -0.04 1.41 1.54 1zbqE1 VAL 269 H 0.01 0.29 -0.16 -0.55 8.24 7.83 1zbqE1 VAL 269 HA 0.11 0.07 0.44 -0.75 4.13 3.99 1zbqE1 VAL 269 HB -0.06 0.10 0.17 -0.04 2.12 2.29 1zbqE1 VAL 269 HG13 0.00 -0.00 -0.08 -0.04 0.97 0.85 1zbqE1 VAL 269 HG23 0.03 0.04 0.01 -0.04 0.95 0.99 1zbqE1 LYS 270 H -0.05 0.52 -0.13 -0.55 8.42 8.20 1zbqE1 LYS 270 HA -0.14 0.01 0.34 -0.75 4.32 3.77 1zbqE1 LYS 270 HB2 -0.12 0.03 0.13 -0.04 1.87 1.87 1zbqE1 LYS 270 HB3 -0.04 0.09 0.13 -0.04 1.79 1.93 1zbqE1 LYS 270 HG2 -0.03 -0.00 -0.10 -0.04 1.46 1.29 1zbqE1 LYS 270 HG3 -0.15 -0.03 0.04 -0.04 1.46 1.28 1zbqE1 LYS 270 HD2 -0.07 -0.02 -0.01 -0.04 1.69 1.55 1zbqE1 LYS 270 HD3 -0.05 -0.01 -0.00 -0.04 1.68 1.57 1zbqE1 LYS 270 HE2 -0.01 -0.01 -0.05 -0.04 2.99 2.88 1zbqE1 LYS 270 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.89 1zbqE1 ALA 271 H 0.02 0.52 -0.17 -0.55 8.40 8.23 1zbqE1 ALA 271 HA 0.05 -0.00 0.43 -0.75 4.34 4.06 1zbqE1 ALA 271 HB3 0.02 0.01 0.12 -0.04 1.41 1.52 1zbqE1 ASN 272 H 0.11 0.43 -0.47 -0.55 8.53 8.05 1zbqE1 ASN 272 HA 0.06 0.11 0.76 -0.75 4.76 4.94 1zbqE1 ASN 272 HB2 0.10 0.15 0.09 -0.04 2.88 3.19 1zbqE1 ASN 272 HB3 0.06 -0.13 0.12 -0.04 2.79 2.80 1zbqE1 ASN 272 HD21 0.02 -0.04 -0.02 -0.04 7.03 6.94 1zbqE1 ASN 272 HD22 0.04 0.59 0.10 -0.04 7.74 8.43 1zbqE1 TRP 273 H 0.29 0.46 -0.34 -0.55 7.97 7.83 1zbqE1 TRP 273 HA -0.02 0.04 0.23 -0.75 4.62 4.11 1zbqE1 TRP 273 HB2 -0.01 0.17 0.20 -0.04 3.23 3.55 1zbqE1 TRP 273 HB3 -0.00 -0.03 0.07 -0.04 3.23 3.22 1zbqE1 TRP 273 HD1 0.00 -0.00 -0.06 -0.04 7.22 7.12 1zbqE1 TRP 273 HE1 0.01 -0.01 -0.03 -0.04 10.20 10.13 1zbqE1 TRP 273 HE3 -0.02 0.13 -0.08 -0.04 7.59 7.58 1zbqE1 TRP 273 HZ2 0.01 -0.01 -0.03 -0.04 7.44 7.37 1zbqE1 TRP 273 HZ3 -0.02 -0.01 -0.04 -0.04 7.13 7.02 1zbqE1 TRP 273 HH2 -0.01 -0.00 -0.03 -0.04 7.19 7.10 1zbqE1 LYS 274 H 0.11 0.18 -0.11 -0.55 8.42 8.04 1zbqE1 LYS 274 HA -0.11 0.08 0.42 -0.75 4.32 3.95 1zbqE1 LYS 274 HB2 0.01 0.02 0.06 -0.04 1.87 1.92 1zbqE1 LYS 274 HB3 -0.02 0.02 -0.01 -0.04 1.79 1.74 1zbqE1 LYS 275 H -0.03 0.12 -0.23 -0.55 8.42 7.73 1zbqE1 LYS 275 HA -0.09 0.04 0.48 -0.75 4.32 4.00 1zbqE1 LYS 275 HB2 -0.03 -0.05 0.08 -0.04 1.87 1.82 1zbqE1 LYS 275 HB3 -0.04 0.11 0.04 -0.04 1.79 1.86 1zbqE1 LYS 275 HG2 -0.07 0.09 -0.14 -0.04 1.46 1.30 1zbqE1 LYS 275 HG3 -0.04 -0.05 0.02 -0.04 1.46 1.35 1zbqE1 LYS 275 HD2 -0.02 -0.04 -0.00 -0.04 1.69 1.59 1zbqE1 LYS 275 HD3 -0.03 -0.03 -0.06 -0.04 1.68 1.52 1zbqE1 LYS 275 HE2 -0.02 -0.06 0.01 -0.04 2.99 2.87 1zbqE1 LYS 275 HE3 -0.02 -0.04 0.03 -0.04 2.99 2.91 1zbqE1 ILE 276 H -0.13 0.57 -0.10 -0.55 8.25 8.05 1zbqE1 ILE 276 HA -0.20 -0.11 0.29 -0.75 4.18 3.41 1zbqE1 ILE 276 HB -0.45 0.11 0.12 -0.04 1.89 1.62 1zbqE1 ILE 276 HG12 -0.02 -0.08 0.05 -0.04 1.49 1.40 1zbqE1 ILE 276 HG13 -0.01 0.03 -0.00 -0.04 1.21 1.18 1zbqE1 ILE 276 HG23 -0.44 -0.02 -0.12 -0.04 0.93 0.31 1zbqE1 ILE 276 HD13 0.36 -0.01 -0.12 -0.04 0.88 1.06 1zbqE1 CYS 277 H -0.47 0.41 -0.37 -0.55 8.50 7.52 1zbqE1 CYS 277 HA -0.53 0.06 0.49 -0.75 4.58 3.85 1zbqE1 CYS 277 HB2 -0.43 0.08 0.09 -0.04 2.97 2.66 1zbqE1 CYS 277 HB3 -0.28 -0.09 0.12 -0.04 2.97 2.67 1zbqE1 ASP 278 H -0.27 0.39 -0.34 -0.55 8.40 7.64 1zbqE1 ASP 278 HA -0.10 -0.05 0.59 -0.75 4.63 4.33 1zbqE1 ASP 278 HB2 -0.10 0.14 0.15 -0.04 2.71 2.86 1zbqE1 ASP 278 HB3 -0.12 0.14 0.25 -0.04 2.70 2.92 1zbqE1 PHE 279 H 0.12 0.14 0.23 -0.55 8.34 8.27 1zbqE1 PHE 279 HA -0.02 0.15 0.50 -0.75 4.62 4.49 1zbqE1 PHE 279 HB2 -0.01 -0.01 0.11 -0.04 3.15 3.20 1zbqE1 PHE 279 HB3 0.00 -0.03 0.10 -0.04 3.06 3.09 1zbqE1 PHE 279 HD2 -0.01 -0.01 -0.03 -0.04 7.28 7.19 1zbqE1 PHE 279 HE2 0.01 0.05 -0.07 -0.04 7.38 7.33 1zbqE1 PHE 279 HZ 0.02 -0.01 0.02 -0.04 7.32 7.31 1zbqE1 GLU 280 H 0.04 0.04 -0.22 -0.55 8.60 7.91 1zbqE1 GLU 280 HA 0.06 0.01 0.54 -0.75 4.29 4.14 1zbqE1 GLU 280 HB2 0.02 -0.04 0.10 -0.04 2.09 2.13 1zbqE1 GLU 280 HB3 0.01 0.05 0.03 -0.04 1.99 2.04 1zbqE1 GLU 280 HG2 0.02 0.02 -0.02 -0.04 2.34 2.33 1zbqE1 GLU 280 HG3 0.02 -0.02 0.05 -0.04 2.34 2.36 1zbqE1 ASN 281 H 0.04 0.09 0.22 -0.55 8.53 8.34 1zbqE1 ASN 281 HA 0.03 0.02 0.34 -0.75 4.76 4.40 1zbqE1 ASN 281 HB2 0.01 0.16 -0.19 -0.04 2.88 2.81 1zbqE1 ASN 281 HB3 0.01 0.00 0.21 -0.04 2.79 2.97 1zbqE1 ASN 281 HD21 0.01 -0.02 -0.03 -0.04 7.03 6.95 1zbqE1 ASN 281 HD22 0.00 0.04 -0.09 -0.04 7.74 7.64 1zbqE1 ALA 282 H 0.09 0.34 -0.26 -0.55 8.40 8.01 1zbqE1 ALA 282 HA 0.04 -0.03 0.36 -0.75 4.34 3.96 1zbqE1 ALA 282 HB3 0.24 -0.04 -0.07 -0.04 1.41 1.50 1zbqE1 SER 283 H 0.04 0.45 0.24 -0.55 8.46 8.65 1zbqE1 SER 283 HA 0.04 0.14 0.70 -0.75 4.49 4.61 1zbqE1 SER 283 HB2 0.03 -0.11 0.07 -0.04 3.95 3.89 1zbqE1 SER 283 HB3 0.02 0.05 0.09 -0.04 3.93 4.05 1zbqE1 LYS 284 H 0.04 0.12 0.04 -0.55 8.42 8.08 1zbqE1 LYS 284 HA 0.08 0.31 0.87 -0.75 4.32 4.83 1zbqE1 LYS 284 HB2 0.04 -0.06 0.14 -0.04 1.87 1.95 1zbqE1 LYS 284 HB3 0.04 0.01 0.10 -0.04 1.79 1.91 1zbqE1 LYS 284 HG2 0.04 -0.04 -0.04 -0.04 1.46 1.38 1zbqE1 LYS 284 HG3 0.06 0.12 -0.04 -0.04 1.46 1.56 1zbqE1 LYS 284 HD2 0.06 0.05 -0.64 -0.04 1.69 1.12 1zbqE1 LYS 284 HD3 0.04 -0.04 -0.08 -0.04 1.68 1.56 1zbqE1 LYS 284 HE2 0.04 0.01 -0.06 -0.04 2.99 2.94 1zbqE1 LYS 284 HE3 0.03 -0.05 -0.06 -0.04 2.99 2.87 1zbqE1 PRO 285 HA 0.04 -0.02 0.30 -0.51 4.44 4.24 1zbqE1 PRO 285 HB2 0.03 -0.04 -0.07 -0.04 2.28 2.15 1zbqE1 PRO 285 HB3 0.02 0.02 -0.02 -0.04 2.02 2.00 1zbqE1 PRO 285 HG2 0.08 0.01 -0.06 -0.04 2.03 2.03 1zbqE1 PRO 285 HG3 0.03 0.04 -0.11 -0.04 2.03 1.95 1zbqE1 PRO 285 HD2 0.14 0.36 -0.03 -0.04 3.68 4.11 1zbqE1 PRO 285 HD3 0.08 0.15 -0.33 -0.04 3.65 3.51 1zbqE1 GLN 286 H 0.03 0.02 0.23 -0.55 8.47 8.20 1zbqE1 GLN 286 HA 0.04 0.25 0.68 -0.75 4.36 4.58 1zbqE1 GLN 286 HB2 0.02 -0.08 0.13 -0.04 2.15 2.18 1zbqE1 GLN 286 HB3 0.02 0.02 0.08 -0.04 2.02 2.10 1zbqE1 GLN 286 HG2 0.03 0.13 0.04 -0.04 2.40 2.56 1zbqE1 GLN 286 HG3 0.02 -0.02 0.04 -0.04 2.39 2.39 1zbqE1 GLN 286 HE21 0.03 -0.04 -0.07 -0.04 6.97 6.85 1zbqE1 GLN 286 HE22 0.04 0.16 -0.41 -0.04 7.69 7.45 1zbqE1 SER 287 H 0.02 0.09 0.12 -0.55 8.46 8.14 1zbqE1 SER 287 HA 0.02 0.25 0.71 -0.75 4.49 4.73 1zbqE1 SER 287 HB2 0.01 0.00 0.12 -0.04 3.95 4.05 1zbqE1 SER 287 HB3 0.02 0.22 -0.24 -0.04 3.93 3.88 1zbqE1 ILE 288 H 0.01 0.28 0.16 -0.55 8.25 8.15 1zbqE1 ILE 288 HA -0.01 0.09 0.48 -0.75 4.18 3.98 1zbqE1 ILE 288 HB -0.00 0.08 0.14 -0.04 1.89 2.07 1zbqE1 ILE 288 HG12 -0.01 -0.00 -0.09 -0.04 1.49 1.35 1zbqE1 ILE 288 HG13 -0.02 -0.03 0.09 -0.04 1.21 1.21 1zbqE1 ILE 288 HG23 0.00 0.03 0.06 -0.04 0.93 0.98 1zbqE1 ILE 288 HD13 -0.01 0.03 0.01 -0.04 0.88 0.86 1zbqE1 GLN 289 H 0.00 0.15 -0.10 -0.55 8.47 7.98 1zbqE1 GLN 289 HA -0.00 0.07 0.35 -0.75 4.36 4.02 1zbqE1 GLN 289 HB2 0.01 -0.01 0.02 -0.04 2.15 2.13 1zbqE1 GLN 289 HB3 0.00 0.07 -0.02 -0.04 2.02 2.03 1zbqE1 GLN 289 HG2 0.01 0.08 0.02 -0.04 2.40 2.47 1zbqE1 GLN 289 HG3 0.00 -0.00 0.04 -0.04 2.39 2.39 1zbqE1 GLN 289 HE21 0.01 0.06 0.03 -0.04 6.97 7.03 1zbqE1 GLN 289 HE22 0.01 0.04 0.02 -0.04 7.69 7.72 1zbqE1 GLU 290 H 0.01 0.10 -0.36 -0.55 8.60 7.79 1zbqE1 GLU 290 HA 0.00 0.10 0.41 -0.75 4.29 4.05 1zbqE1 GLU 290 HB2 0.01 -0.07 0.14 -0.04 2.09 2.13 1zbqE1 GLU 290 HB3 0.01 0.01 0.09 -0.04 1.99 2.06 1zbqE1 GLU 290 HG2 0.01 0.05 0.02 -0.04 2.34 2.38 1zbqE1 GLU 290 HG3 0.01 0.04 0.04 -0.04 2.34 2.39 1zbqE1 SER 291 H -0.01 0.35 -0.04 -0.55 8.46 8.22 1zbqE1 SER 291 HA -0.01 0.10 0.48 -0.75 4.49 4.30 1zbqE1 SER 291 HB2 -0.03 0.01 0.06 -0.04 3.95 3.95 1zbqE1 SER 291 HB3 -0.03 0.01 0.18 -0.04 3.93 4.06 1zbqE1 THR 292 H -0.01 0.66 0.09 -0.55 8.28 8.47 1zbqE1 THR 292 HA -0.02 0.01 0.43 -0.75 4.39 4.07 1zbqE1 THR 292 HB -0.01 0.06 0.09 -0.04 4.32 4.42 1zbqE1 THR 292 HG23 -0.01 -0.01 -0.12 -0.04 1.22 1.04 1zbqE1 GLY 293 H -0.01 0.64 -0.17 -0.55 8.43 8.36 1zbqE1 GLY 293 HA2 -0.00 -0.03 0.37 -0.51 4.01 3.84 1zbqE1 GLY 293 HA3 -0.00 0.12 0.33 -0.51 4.01 3.95 1zbqE1 SER 294 H -0.01 0.38 -0.31 -0.55 8.46 7.97 1zbqE1 SER 294 HA -0.00 0.03 0.41 -0.75 4.49 4.17 1zbqE1 SER 294 HB2 -0.01 -0.03 0.08 -0.04 3.95 3.96 1zbqE1 SER 294 HB3 -0.00 0.11 0.16 -0.04 3.93 4.15 1zbqE1 ILE 295 H -0.01 0.44 -0.12 -0.55 8.25 8.00 1zbqE1 ILE 295 HA -0.01 0.06 0.54 -0.75 4.18 4.02 1zbqE1 ILE 295 HB -0.01 0.08 0.18 -0.04 1.89 2.09 1zbqE1 ILE 295 HG12 -0.02 -0.02 0.02 -0.04 1.49 1.43 1zbqE1 ILE 295 HG13 -0.02 0.13 0.06 -0.04 1.21 1.33 1zbqE1 ILE 295 HG23 -0.01 -0.02 -0.10 -0.04 0.93 0.75 1zbqE1 ILE 295 HD13 -0.03 -0.03 -0.06 -0.04 0.88 0.73 1zbqE1 ILE 296 H -0.01 0.59 -0.02 -0.55 8.25 8.27 1zbqE1 ILE 296 HA -0.00 -0.00 0.52 -0.75 4.18 3.94 1zbqE1 ILE 296 HB -0.00 0.13 0.16 -0.04 1.89 2.14 1zbqE1 ILE 296 HG12 -0.00 -0.04 0.05 -0.04 1.49 1.45 1zbqE1 ILE 296 HG13 -0.01 -0.02 0.06 -0.04 1.21 1.21 1zbqE1 ILE 296 HG23 -0.00 -0.01 -0.11 -0.04 0.93 0.76 1zbqE1 ILE 296 HD13 -0.00 -0.01 -0.06 -0.04 0.88 0.76 1zbqE1 GLU 297 H -0.00 0.50 -0.22 -0.55 8.60 8.32 1zbqE1 GLU 297 HA -0.00 -0.03 0.43 -0.75 4.29 3.93 1zbqE1 GLU 297 HB2 -0.00 0.12 0.16 -0.04 2.09 2.33 1zbqE1 GLU 297 HB3 -0.00 0.20 0.09 -0.04 1.99 2.23 1zbqE1 VAL 298 H -0.00 0.39 -0.48 -0.55 8.24 7.59 1zbqE1 VAL 298 HA -0.00 0.02 0.48 -0.75 4.13 3.87 1zbqE1 VAL 298 HB -0.00 0.31 0.19 -0.04 2.12 2.57 1zbqE1 VAL 298 HG13 -0.00 -0.03 -0.09 -0.04 0.97 0.80 1zbqE1 VAL 298 HG23 -0.01 0.05 0.09 -0.04 0.95 1.04 1zbqE1 LEU 299 H -0.00 0.42 -0.14 -0.55 8.37 8.10 1zbqE1 LEU 299 HA 0.00 0.01 0.46 -0.75 4.35 4.07 1zbqE1 LEU 299 HB2 -0.00 0.12 0.15 -0.04 1.64 1.87 1zbqE1 LEU 299 HB3 0.00 -0.05 0.01 -0.04 1.64 1.56 1zbqE1 LEU 299 HG -0.00 0.07 0.13 -0.04 1.64 1.80 1zbqE1 LEU 299 HD13 -0.00 -0.00 0.06 -0.04 0.93 0.94 1zbqE1 LEU 299 HD23 0.00 -0.02 0.02 -0.04 0.89 0.85 1zbqE1 SER 300 H -0.00 0.26 -0.15 -0.55 8.46 8.02 1zbqE1 SER 300 HA 0.00 0.04 0.51 -0.75 4.49 4.29 1zbqE1 SER 300 HB2 0.00 -0.02 0.05 -0.04 3.95 3.94 1zbqE1 SER 300 HB3 0.00 -0.03 0.07 -0.04 3.93 3.93 1zbqE1 LYS 301 H -0.00 0.36 -0.23 -0.55 8.42 8.00 1zbqE1 LYS 301 HA -0.00 0.02 0.46 -0.75 4.32 4.04 1zbqE1 ILE 302 H 0.00 0.47 -0.15 -0.55 8.25 8.02 1zbqE1 ILE 302 HA 0.00 0.08 0.52 -0.75 4.18 4.02 1zbqE1 ILE 302 HB 0.00 0.08 0.12 -0.04 1.89 2.05 1zbqE1 ILE 302 HG12 0.00 0.03 0.01 -0.04 1.49 1.48 1zbqE1 ILE 302 HG13 0.00 0.14 0.06 -0.04 1.21 1.37 1zbqE1 ILE 302 HG23 0.01 -0.05 -0.19 -0.04 0.93 0.66 1zbqE1 ILE 302 HD13 0.01 -0.05 -0.09 -0.04 0.88 0.71 1zbqE1 ASP 303 H 0.00 0.37 -0.11 -0.55 8.40 8.11 1zbqE1 ASP 303 HA 0.00 0.16 0.89 -0.75 4.63 4.94 1zbqE1 ASP 303 HB2 0.00 -0.05 0.16 -0.04 2.71 2.78 1zbqE1 ASP 303 HB3 0.00 -0.07 0.07 -0.04 2.70 2.66 1zbqE1 SER 304 H 0.00 0.31 -0.56 -0.55 8.46 7.67 1zbqE1 SER 304 HA 0.00 0.03 0.32 -0.75 4.49 4.09 1zbqE1 SER 304 HB2 0.00 0.19 0.12 -0.04 3.95 4.23 1zbqE1 SER 304 HB3 0.00 -0.09 0.07 -0.04 3.93 3.87