#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bku s GLN 10 N 0.00 0.54 0.01 5.55 -2.07 -1.26 -2.11 119.66 120.32 2bku s GLN 10 Ca 0.00 -0.84 0.02 0.00 -1.82 0.00 0.00 55.36 52.72 2bku s GLN 10 Cb 0.00 -0.19 -0.01 0.00 -1.09 0.00 0.00 33.01 31.72 2bku s GLN 10 CO 0.00 0.02 -0.05 -0.06 -1.32 0.00 0.00 175.29 173.87 2bku s PHE 11 N -1.84 0.48 -0.14 9.60 0.08 0.46 -4.96 117.98 121.66 2bku s PHE 11 Ca -0.07 -0.23 -0.24 0.00 0.12 0.00 0.00 56.93 56.51 2bku s PHE 11 Cb -0.07 -0.30 -0.02 0.00 -0.57 0.00 0.00 43.02 42.06 2bku s PHE 11 CO -0.01 -0.04 0.76 0.21 -0.10 0.00 0.00 175.22 176.04 2bku s LYS 12 N -0.63 4.33 -0.20 0.44 2.20 -1.26 -0.68 119.74 123.95 2bku s LYS 12 Ca -0.03 0.91 0.01 0.00 -0.36 0.00 0.00 55.97 56.50 2bku s LYS 12 Cb -0.05 -3.53 0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2bku s LYS 12 CO -0.00 -0.18 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.48 2bku s LEU 13 N 1.65 2.40 -0.09 5.43 0.20 -0.43 -1.41 118.68 126.43 2bku s LEU 13 Ca 0.37 -0.83 -0.16 0.00 0.69 0.00 0.00 54.13 54.20 2bku s LEU 13 Cb -0.17 -1.43 -0.05 0.00 -0.43 0.00 0.00 46.19 44.11 2bku s LEU 13 CO 0.14 -0.07 0.40 0.68 -0.29 0.00 0.00 176.35 177.22 2bku s VAL 14 N 1.28 5.17 -0.19 1.68 -7.23 -0.76 0.10 120.40 120.45 2bku s VAL 14 Ca 0.01 0.80 -0.02 0.00 -1.81 0.00 0.00 61.98 60.96 2bku s VAL 14 Cb -0.15 -3.73 -0.00 0.00 0.56 0.00 0.00 36.38 33.06 2bku s VAL 14 CO -0.10 0.43 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.80 2bku s LEU 15 N -0.03 2.68 0.17 1.32 2.96 0.51 -1.76 118.68 124.53 2bku s LEU 15 Ca 0.23 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2bku s LEU 15 Cb -0.15 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 2bku s LEU 15 CO 0.10 0.02 -0.03 0.68 -1.32 0.00 0.00 176.35 175.79 2bku s VAL 16 N 1.22 0.86 0.00 1.68 -7.23 -0.32 -1.98 120.40 114.63 2bku s VAL 16 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2bku s VAL 16 Cb -0.14 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.76 2bku s VAL 16 CO -0.04 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.80 2bku n GLY 17 N -0.24 3.35 3.65 2.32 0.00 -1.26 -0.64 105.19 112.37 2bku n GLY 17 Ca -0.08 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 2bku n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bku n ASP 18 N 0.00 1.09 -4.77 1.61 9.92 -1.26 -4.10 116.55 119.04 2bku n ASP 18 Ca 0.00 0.77 -0.40 0.00 -0.53 0.00 0.00 54.79 54.63 2bku n ASP 18 Cb 0.00 -1.45 0.02 0.00 -0.64 0.00 0.00 41.12 39.05 2bku n ASP 18 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2bku s GLY 19 N -1.41 2.92 0.00 0.44 0.00 -1.24 -2.95 107.32 105.09 2bku s GLY 19 Ca 0.78 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.98 2bku s GLY 19 CO 0.45 2.10 0.00 0.61 0.00 0.00 0.00 173.10 176.26 2bku n GLY 20 N 0.57 0.61 0.03 0.20 0.00 -1.26 -4.92 105.19 100.42 2bku n GLY 20 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2bku n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bku n THR 21 N -2.61 0.23 0.00 2.61 -2.24 -1.15 -4.93 114.28 106.19 2bku n THR 21 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2bku n THR 21 Cb 0.03 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 2bku n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bku n GLY 22 N 1.31 1.49 0.30 3.38 0.00 -1.26 -4.62 105.19 105.79 2bku n GLY 22 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 2bku n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bku h LYS 23 N 0.00 -0.68 -0.31 1.61 1.57 -1.92 -0.28 116.57 116.56 2bku h LYS 23 Ca 0.00 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2bku h LYS 23 Cb 0.00 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2bku h LYS 23 CO 0.00 -0.41 0.14 1.15 -0.57 0.00 0.00 179.45 179.76 2bku h THR 24 N -0.81 1.17 -0.46 -0.16 2.02 -1.95 -1.65 112.91 111.08 2bku h THR 24 Ca -0.07 -0.50 0.09 0.00 0.77 0.00 0.00 66.41 66.70 2bku h THR 24 Cb 0.59 0.92 -0.09 0.00 -1.74 0.00 0.00 68.15 67.83 2bku h THR 24 CO 0.12 0.18 -0.13 0.74 0.37 0.00 0.00 175.52 176.79 2bku h THR 25 N 0.36 0.51 -0.20 3.16 2.02 -1.92 0.28 112.91 117.13 2bku h THR 25 Ca 0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 2bku h THR 25 Cb 0.15 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 2bku h THR 25 CO -0.01 0.00 -0.06 0.15 0.37 0.00 0.00 175.52 175.97 2bku h PHE 26 N -0.02 -0.14 -0.21 3.16 3.57 -0.62 -2.14 116.94 120.55 2bku h PHE 26 Ca 0.22 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 2bku h PHE 26 Cb 0.36 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2bku h PHE 26 CO -0.41 -0.10 -0.08 0.28 -2.23 0.00 0.00 178.31 175.77 2bku h VAL 27 N -0.02 1.30 -0.78 1.41 2.07 -0.82 -2.67 116.25 116.75 2bku h VAL 27 Ca 0.10 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.53 2bku h VAL 27 Cb 0.17 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2bku h VAL 27 CO -0.22 0.34 0.51 0.11 0.02 0.00 0.00 177.57 178.33 2bku h LYS 28 N 0.13 0.95 -0.27 1.57 1.79 -0.37 0.74 116.57 121.11 2bku h LYS 28 Ca 0.05 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2bku h LYS 28 Cb 0.56 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 2bku h LYS 28 CO 0.03 0.63 0.10 0.00 -1.08 0.00 0.00 179.45 179.13 2bku h ARG 29 N 0.98 0.41 -0.35 3.15 2.47 -1.32 0.57 114.38 120.28 2bku h ARG 29 Ca 0.30 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.91 2bku h ARG 29 Cb 0.00 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 2bku h ARG 29 CO -0.08 0.44 0.07 0.45 0.56 0.00 0.00 179.97 181.41 2bku h HIS 30 N 0.29 0.52 0.18 3.04 3.86 -1.04 0.45 115.15 122.45 2bku h HIS 30 Ca 0.09 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2bku h HIS 30 Cb 0.19 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2bku h HIS 30 CO -0.01 0.47 -0.09 1.25 0.86 0.00 0.00 177.93 180.42 2bku h LEU 31 N 0.51 -0.20 0.00 2.43 5.85 -0.48 -3.43 115.31 119.99 2bku h LEU 31 Ca 0.12 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2bku h LEU 31 Cb 0.23 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2bku h LEU 31 CO -0.00 0.34 -0.46 0.35 -0.34 0.00 0.00 178.44 178.33 2bku n THR 32 N -4.94 0.00 -0.57 1.05 -2.24 0.16 -5.03 114.28 102.71 2bku n THR 32 Ca -0.08 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2bku n THR 32 Cb 0.26 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2bku n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bku n GLY 33 N 1.55 0.76 3.72 3.38 0.00 0.15 -5.02 105.19 109.73 2bku n GLY 33 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2bku n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bku s GLU 34 N -0.43 4.35 -0.44 1.61 2.02 -1.26 -4.93 118.70 119.62 2bku s GLU 34 Ca 0.00 0.51 -0.18 0.00 0.02 0.00 0.00 54.97 55.32 2bku s GLU 34 Cb 0.00 -3.44 0.03 0.00 0.10 0.00 0.00 34.13 30.82 2bku s GLU 34 CO 0.00 0.14 0.52 0.12 0.02 0.00 0.00 175.26 176.07 2bku s PHE 35 N 0.66 3.12 0.02 1.61 5.36 -1.26 -3.46 117.98 124.03 2bku s PHE 35 Ca 0.28 -0.34 -0.30 0.00 -0.96 0.00 0.00 56.93 55.61 2bku s PHE 35 Cb -0.15 -3.14 -0.05 0.00 -0.34 0.00 0.00 43.02 39.34 2bku s PHE 35 CO 0.11 -0.81 1.24 -2.00 -1.46 0.00 0.00 175.22 172.31 2bku s GLU 36 N 2.39 4.37 -0.22 10.12 2.56 -1.26 -4.94 118.70 131.72 2bku s GLU 36 Ca 0.15 1.79 -0.16 0.00 0.00 0.00 0.00 54.97 56.75 2bku s GLU 36 Cb -0.17 -3.45 -0.18 0.00 2.00 0.00 0.00 34.13 32.33 2bku s GLU 36 CO 0.15 -0.38 0.04 1.63 -0.56 0.00 0.00 175.26 176.13 2bku n LYS 37 N 4.59 0.60 -1.92 4.30 5.02 -1.26 -4.91 118.16 124.58 2bku n LYS 37 Ca 0.10 0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 56.40 2bku n LYS 37 Cb 0.46 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 2bku n LYS 37 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2bku s LYS 38 N -2.44 4.21 -0.50 1.97 -0.14 -1.26 -4.99 119.74 116.59 2bku s LYS 38 Ca -0.31 2.40 -0.24 0.00 -1.36 0.00 0.00 55.97 56.46 2bku s LYS 38 Cb 0.09 -3.08 0.03 0.00 -1.68 0.00 0.00 37.83 33.19 2bku s LYS 38 CO 0.59 -0.51 0.87 -0.47 -0.76 0.00 0.00 175.35 175.07 2bku s TYR 39 N 0.10 2.89 -0.26 3.18 5.04 -1.26 -5.02 117.35 122.02 2bku s TYR 39 Ca 0.62 0.09 -0.02 0.00 -2.44 0.00 0.00 57.07 55.31 2bku s TYR 39 Cb -0.44 -3.90 0.03 0.00 0.35 0.00 0.00 41.96 37.99 2bku s TYR 39 CO 0.44 -1.18 -0.03 0.08 -1.34 0.00 0.00 175.55 173.52 2bku s VAL 40 N 3.64 3.06 0.16 3.14 1.01 -1.26 -5.08 120.40 125.08 2bku s VAL 40 Ca 0.31 -1.01 -0.34 0.00 0.00 0.00 0.00 61.98 60.94 2bku s VAL 40 Cb -0.12 -2.58 -0.14 0.00 0.00 0.00 0.00 36.38 33.53 2bku s VAL 40 CO 0.21 0.15 1.52 -0.81 0.00 0.00 0.00 175.10 176.17 2bku n PRO 41 N 4.70 2.00 -2.21 2.72 -0.04 -1.26 -4.92 135.00 135.99 2bku n PRO 41 Ca -0.16 0.72 -0.41 0.00 -0.04 0.00 0.00 63.50 63.61 2bku n PRO 41 Cb 0.47 -2.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.44 2bku n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2bku s THR 42 N 0.71 3.09 -0.63 0.52 2.01 -1.26 -4.99 115.64 115.10 2bku s THR 42 Ca 0.78 0.96 -0.15 0.00 0.31 0.00 0.00 61.69 63.59 2bku s THR 42 Cb -0.71 -3.61 0.16 0.00 0.01 0.00 0.00 72.50 68.34 2bku s THR 42 CO 0.41 0.17 0.58 -0.22 -0.69 0.00 0.00 174.62 174.87 2bku s LEU 43 N -0.66 6.36 0.00 4.42 2.96 -1.26 -4.60 118.68 125.90 2bku s LEU 43 Ca 0.54 -2.06 0.00 0.00 -0.22 0.00 0.00 54.13 52.39 2bku s LEU 43 Cb -0.37 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.11 2bku s LEU 43 CO 0.42 -0.77 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 2bku n GLY 44 N 4.87 2.31 3.58 7.98 0.00 -0.67 -4.74 105.19 118.52 2bku n GLY 44 Ca -0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2bku n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bku s VAL 45 N 0.00 0.00 -0.20 1.61 0.11 -1.26 -1.13 120.40 119.53 2bku s VAL 45 Ca 0.00 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2bku s VAL 45 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2bku s VAL 45 CO 0.00 0.00 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.06 2bku s GLU 46 N -0.38 3.25 -0.25 1.54 2.02 -0.95 -4.95 118.70 118.97 2bku s GLU 46 Ca -0.04 -0.70 -0.10 0.00 0.02 0.00 0.00 54.97 54.15 2bku s GLU 46 Cb -0.03 -2.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 2bku s GLU 46 CO 0.03 -0.16 0.16 0.08 0.02 0.00 0.00 175.26 175.39 2bku s VAL 47 N 1.30 5.19 -0.02 2.63 1.01 -1.26 -1.49 120.40 127.77 2bku s VAL 47 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2bku s VAL 47 Cb -0.14 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.82 2bku s VAL 47 CO -0.05 0.32 0.01 -1.00 0.00 0.00 0.00 175.10 174.37 2bku s HIS 48 N 1.34 0.11 0.05 5.22 3.76 -0.75 -4.96 115.29 120.06 2bku s HIS 48 Ca 0.07 0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 54.74 2bku s HIS 48 Cb -0.15 -0.22 -0.04 0.00 1.11 0.00 0.00 32.58 33.28 2bku s HIS 48 CO 0.07 -0.07 0.96 -1.25 -0.85 0.00 0.00 174.74 173.60 2bku s PRO 49 N 0.75 4.62 -0.14 8.40 0.04 -1.26 -0.92 135.00 146.49 2bku s PRO 49 Ca -0.07 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2bku s PRO 49 Cb -0.09 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 2bku s PRO 49 CO -0.02 0.08 -0.14 -0.51 0.04 0.00 0.00 177.00 176.45 2bku s LEU 50 N 0.53 2.60 -0.09 -3.56 1.43 0.54 -4.96 118.68 115.17 2bku s LEU 50 Ca 0.49 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2bku s LEU 50 Cb -0.22 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2bku s LEU 50 CO 0.29 0.13 -0.09 -0.69 0.23 0.00 0.00 176.35 176.22 2bku s VAL 51 N 0.54 3.49 -0.09 -1.59 1.01 -1.26 -0.10 120.40 122.40 2bku s VAL 51 Ca -0.09 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2bku s VAL 51 Cb -0.16 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2bku s VAL 51 CO 0.04 0.57 -0.21 -0.36 0.00 0.00 0.00 175.10 175.14 2bku s PHE 52 N -0.42 2.25 -0.74 5.22 0.40 -0.46 -4.99 117.98 119.24 2bku s PHE 52 Ca 0.06 -0.89 -0.17 0.00 -0.60 0.00 0.00 56.93 55.33 2bku s PHE 52 Cb -0.12 -1.53 0.15 0.00 0.51 0.00 0.00 43.02 42.04 2bku s PHE 52 CO 0.02 -0.37 0.79 -1.01 0.70 0.00 0.00 175.22 175.36 2bku s HIS 53 N 0.40 3.33 0.77 0.36 3.76 -1.26 -1.54 115.29 121.11 2bku s HIS 53 Ca -0.17 -1.47 -0.05 0.00 -0.15 0.00 0.00 55.06 53.22 2bku s HIS 53 Cb -0.17 -3.98 0.13 0.00 1.11 0.00 0.00 32.58 29.68 2bku s HIS 53 CO 0.07 -1.19 1.06 0.95 -0.85 0.00 0.00 174.74 174.78 2bku s THR 54 N 1.64 2.14 -0.51 1.30 -4.23 -0.62 -4.68 115.64 110.68 2bku s THR 54 Ca 0.17 -0.42 0.25 0.00 -1.18 0.00 0.00 61.69 60.51 2bku s THR 54 Cb -0.16 -2.72 0.27 0.00 1.34 0.00 0.00 72.50 71.23 2bku s THR 54 CO -0.03 0.00 1.74 -0.46 -0.54 0.00 0.00 174.62 175.33 2bku n ASN 55 N -3.04 0.75 -2.32 3.99 6.94 -0.21 -3.02 115.26 118.34 2bku n ASN 55 Ca 0.14 0.65 -0.31 0.00 -0.02 0.00 0.00 54.58 55.05 2bku n ASN 55 Cb 0.60 -0.83 0.04 0.00 -2.36 0.00 0.00 39.78 37.24 2bku n ASN 55 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2bku n ARG 56 N -2.30 3.12 0.00 -3.83 1.74 -1.26 -5.03 116.66 109.10 2bku n ARG 56 Ca 0.03 -3.79 0.00 0.00 -0.77 0.00 0.00 57.85 53.32 2bku n ARG 56 Cb 0.28 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 2bku n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bku n GLY 57 N -0.74 -2.32 3.78 -0.13 0.00 -1.17 -4.92 105.19 99.70 2bku n GLY 57 Ca 0.52 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 2bku n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bku s PRO 58 N -0.77 4.54 -0.05 1.61 0.05 -1.26 -1.59 135.00 137.52 2bku s PRO 58 Ca 0.00 1.15 0.05 0.00 0.05 0.00 0.00 61.00 62.26 2bku s PRO 58 Cb 0.00 -3.13 -0.02 0.00 0.05 0.00 0.00 34.50 31.40 2bku s PRO 58 CO 0.00 0.50 -0.22 0.42 0.05 0.00 0.00 177.00 177.75 2bku s ILE 59 N -1.28 2.35 -0.15 0.56 1.01 -0.59 -4.70 121.20 118.40 2bku s ILE 59 Ca 0.39 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 60.08 2bku s ILE 59 Cb -0.22 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.39 2bku s ILE 59 CO 0.25 0.57 -0.17 -0.75 0.00 0.00 0.00 174.94 174.85 2bku s LYS 60 N -0.34 3.15 -0.33 2.79 2.20 -0.90 -1.35 119.74 124.96 2bku s LYS 60 Ca 0.02 -0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 54.75 2bku s LYS 60 Cb -0.12 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.62 2bku s LYS 60 CO 0.02 -0.01 0.17 -0.06 -0.36 0.00 0.00 175.35 175.11 2bku s PHE 61 N 0.86 3.20 -0.66 4.03 0.08 0.86 -0.40 117.98 125.94 2bku s PHE 61 Ca -0.05 -0.74 -0.27 0.00 0.12 0.00 0.00 56.93 55.98 2bku s PHE 61 Cb -0.15 -2.38 0.03 0.00 -0.57 0.00 0.00 43.02 39.95 2bku s PHE 61 CO -0.01 -0.54 1.23 -0.80 -0.10 0.00 0.00 175.22 175.00 2bku s ASN 62 N 1.58 6.29 -0.13 1.36 0.01 0.15 -0.34 114.94 123.86 2bku s ASN 62 Ca 0.03 -0.21 -0.22 0.00 -0.71 0.00 0.00 52.86 51.75 2bku s ASN 62 Cb -0.18 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.90 2bku s ASN 62 CO 0.06 -1.66 0.68 -0.69 -1.51 0.00 0.00 177.10 173.98 2bku s VAL 63 N 5.33 5.02 -0.50 1.60 1.01 -0.09 -1.31 120.40 131.46 2bku s VAL 63 Ca 0.38 1.35 -0.13 0.00 0.00 0.00 0.00 61.98 63.58 2bku s VAL 63 Cb -0.08 -4.01 0.12 0.00 0.00 0.00 0.00 36.38 32.41 2bku s VAL 63 CO 0.20 0.17 0.41 0.26 0.00 0.00 0.00 175.10 176.13 2bku s TRP 64 N 1.41 3.33 -0.86 5.22 0.52 0.12 -1.80 118.94 126.88 2bku s TRP 64 Ca 0.34 -1.52 -0.20 0.00 0.02 0.00 0.00 56.10 54.74 2bku s TRP 64 Cb -0.17 -3.55 0.12 0.00 -1.15 0.00 0.00 33.47 28.72 2bku s TRP 64 CO 0.14 -0.97 1.08 0.34 0.02 0.00 0.00 176.95 177.55 2bku s ASP 65 N 3.01 6.51 0.53 2.95 2.15 -0.55 -0.36 116.67 130.90 2bku s ASP 65 Ca 0.04 -1.79 -0.09 0.00 0.43 0.00 0.00 52.55 51.15 2bku s ASP 65 Cb -0.27 -2.40 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 2bku s ASP 65 CO 0.02 -1.15 0.90 0.42 -0.17 0.00 0.00 175.17 175.18 2bku s THR 66 N 3.00 4.80 0.35 1.71 -4.23 -0.83 -2.24 115.64 118.18 2bku s THR 66 Ca 0.30 0.57 -0.26 0.00 -1.18 0.00 0.00 61.69 61.12 2bku s THR 66 Cb -0.08 -3.85 -0.09 0.00 1.34 0.00 0.00 72.50 69.82 2bku s THR 66 CO -0.05 -0.94 1.07 0.00 -0.54 0.00 0.00 174.62 174.16 2bku s ALA 67 N -2.88 3.21 -0.11 3.99 0.00 -0.28 -4.86 121.76 120.83 2bku s ALA 67 Ca 0.51 0.78 0.20 0.00 0.00 0.00 0.00 51.96 53.45 2bku s ALA 67 Cb -0.11 -3.29 -0.26 0.00 0.00 0.00 0.00 23.12 19.47 2bku s ALA 67 CO 0.47 -0.18 0.43 0.41 0.00 0.00 0.00 175.76 176.88 2bku n GLY 68 N 0.71 -1.06 3.71 0.00 0.00 -1.26 -4.83 105.19 102.45 2bku n GLY 68 Ca 0.02 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2bku n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bku s GLN 69 N -3.06 4.45 0.22 1.61 -0.21 -1.26 -3.64 119.66 117.77 2bku s GLN 69 Ca -0.07 1.05 -0.09 0.00 0.02 0.00 0.00 55.36 56.27 2bku s GLN 69 Cb 0.10 -3.47 0.35 0.00 1.00 0.00 0.00 33.01 30.98 2bku s GLN 69 CO 0.86 -0.03 1.66 1.49 -2.12 0.00 0.00 175.29 177.14 2bku h GLU 70 N 6.87 0.12 -0.84 2.91 4.22 -1.99 -0.21 114.58 125.66 2bku h GLU 70 Ca -0.39 -0.01 0.20 0.00 0.08 0.00 0.00 59.36 59.25 2bku h GLU 70 Cb 1.19 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 2bku h GLU 70 CO 0.77 0.08 0.03 0.87 -2.18 0.00 0.00 179.01 178.58 2bku h LYS 71 N 0.13 0.09 -0.59 1.92 1.57 -2.01 -2.36 116.57 115.32 2bku h LYS 71 Ca 0.35 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.88 2bku h LYS 71 Cb 0.59 -0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.73 2bku h LYS 71 CO -0.56 0.06 0.20 1.19 -0.57 0.00 0.00 179.45 179.77 2bku n PHE 72 N -5.38 1.89 0.19 -1.35 3.72 -0.13 -4.72 117.46 111.69 2bku n PHE 72 Ca 0.17 -1.45 0.17 0.00 -0.05 0.00 0.00 57.45 56.29 2bku n PHE 72 Cb 0.57 -0.63 0.81 0.00 -0.94 0.00 0.00 39.48 39.30 2bku n PHE 72 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2bku h GLY 73 N 1.54 0.00 0.00 1.37 0.00 -0.97 -1.77 103.07 103.23 2bku h GLY 73 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2bku h GLY 73 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.78 2bku n GLY 74 N -1.42 2.99 0.00 4.60 0.00 -1.26 -1.02 105.19 109.07 2bku n GLY 74 Ca 0.02 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.96 2bku n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bku n LEU 75 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.99 117.00 116.51 2bku n LEU 75 Ca 0.00 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2bku n LEU 75 Cb 0.00 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2bku n LEU 75 CO 0.00 -0.04 0.00 0.54 -1.33 0.00 0.00 177.39 176.56 2bku n ARG 76 N -1.45 0.00 0.00 3.23 1.74 -0.19 -0.74 116.66 119.25 2bku n ARG 76 Ca 0.08 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.23 2bku n ARG 76 Cb 0.29 0.00 0.35 0.00 -1.02 0.00 0.00 32.46 32.08 2bku n ARG 76 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2bku n ASP 77 N 7.19 0.00 -0.14 0.55 3.85 -1.26 -1.68 116.55 125.06 2bku n ASP 77 Ca 0.00 0.27 0.13 0.00 -0.71 0.00 0.00 54.79 54.48 2bku n ASP 77 Cb 0.00 -0.38 0.49 0.00 -1.35 0.00 0.00 41.12 39.87 2bku n ASP 77 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2bku h GLY 78 N 2.54 0.69 2.00 6.12 0.00 -1.35 -2.15 103.07 110.93 2bku h GLY 78 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2bku h GLY 78 CO 0.00 0.09 0.00 -0.97 0.00 0.00 0.00 176.54 175.66 2bku h TYR 79 N 0.45 0.00 0.00 5.60 0.05 -1.51 -3.05 116.97 118.51 2bku h TYR 79 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.11 2bku h TYR 79 Cb 0.67 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.41 2bku h TYR 79 CO -0.00 0.00 0.00 1.88 -1.05 0.00 0.00 178.16 178.99 2bku h TYR 80 N 0.00 0.00 -1.94 4.88 0.05 -1.57 -3.44 116.97 114.95 2bku h TYR 80 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.14 2bku h TYR 80 Cb 0.34 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.12 2bku h TYR 80 CO 0.00 0.00 0.89 -0.89 -1.05 0.00 0.00 178.16 177.11 2bku n ILE 81 N -2.58 0.30 -0.93 -2.88 5.41 -1.16 -0.83 119.36 116.70 2bku n ILE 81 Ca 0.05 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2bku n ILE 81 Cb 0.46 -1.51 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 2bku n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bku n GLN 82 N 4.99 -0.52 -1.92 0.38 1.13 -1.26 -4.98 117.38 115.19 2bku n GLN 82 Ca 0.21 0.13 -0.42 0.00 -1.94 0.00 0.00 57.00 54.99 2bku n GLN 82 Cb 0.24 -3.63 -0.03 0.00 0.11 0.00 0.00 30.24 26.93 2bku n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2bku s ALA 83 N -2.02 3.77 -1.59 -1.58 0.00 -0.01 -4.78 121.76 115.56 2bku s ALA 83 Ca 0.00 1.39 0.24 0.00 0.00 0.00 0.00 51.96 53.58 2bku s ALA 83 Cb 0.00 -3.62 0.24 0.00 0.00 0.00 0.00 23.12 19.74 2bku s ALA 83 CO 0.00 -0.79 1.23 1.04 0.00 0.00 0.00 175.76 177.24 2bku n GLN 84 N 3.69 0.68 -3.60 0.00 6.02 -0.50 -4.92 117.38 118.75 2bku n GLN 84 Ca 0.13 -0.50 -0.04 0.00 -0.01 0.00 0.00 57.00 56.58 2bku n GLN 84 Cb 0.38 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.14 2bku n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bku s ALA 86 N -2.73 -0.04 -0.15 0.00 0.00 -0.84 -1.83 121.76 116.17 2bku s ALA 86 Ca 0.10 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2bku s ALA 86 Cb 0.00 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.55 2bku s ALA 86 CO -0.05 -0.45 -0.18 0.42 0.00 0.00 0.00 175.76 175.50 2bku s ILE 87 N -3.73 1.85 -0.22 0.00 1.01 -0.72 -1.26 121.20 118.13 2bku s ILE 87 Ca 0.04 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 2bku s ILE 87 Cb 0.05 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2bku s ILE 87 CO -0.10 0.51 0.33 -0.63 0.00 0.00 0.00 174.94 175.05 2bku s ILE 88 N 1.23 5.24 -0.09 2.92 1.01 -0.00 -1.18 121.20 130.33 2bku s ILE 88 Ca 0.01 0.56 0.01 0.00 0.00 0.00 0.00 60.65 61.23 2bku s ILE 88 Cb -0.14 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2bku s ILE 88 CO -0.09 0.27 -0.12 -0.32 0.00 0.00 0.00 174.94 174.68 2bku s MET 89 N 1.30 2.90 0.27 2.79 1.75 0.18 -0.38 119.30 128.11 2bku s MET 89 Ca 0.16 -0.66 0.07 0.00 -1.25 0.00 0.00 55.69 54.00 2bku s MET 89 Cb -0.14 -2.53 -0.06 0.00 2.84 0.00 0.00 34.83 34.94 2bku s MET 89 CO 0.07 0.47 -0.07 -0.59 -0.65 0.00 0.00 175.02 174.26 2bku s PHE 90 N -0.32 1.89 -0.37 4.11 -0.12 0.03 -4.06 117.98 119.14 2bku s PHE 90 Ca 0.03 -0.70 -0.14 0.00 -0.05 0.00 0.00 56.93 56.07 2bku s PHE 90 Cb -0.13 -1.06 -0.00 0.00 -0.63 0.00 0.00 43.02 41.21 2bku s PHE 90 CO 0.02 0.27 0.27 0.34 -0.05 0.00 0.00 175.22 176.07 2bku s ASP 91 N -3.42 6.09 0.65 1.98 -1.08 -1.26 -0.37 116.67 119.26 2bku s ASP 91 Ca 0.29 -0.63 0.41 0.00 -0.52 0.00 0.00 52.55 52.09 2bku s ASP 91 Cb 0.03 -2.15 2.25 0.00 -1.46 0.00 0.00 42.92 41.60 2bku s ASP 91 CO 0.11 -0.33 2.31 0.58 0.52 0.00 0.00 175.17 178.36 2bku h VAL 92 N 5.55 0.10 0.00 1.11 2.07 -1.46 0.15 116.25 123.77 2bku h VAL 92 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2bku h VAL 92 Cb 1.14 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2bku h VAL 92 CO 0.68 0.00 0.00 0.41 0.02 0.00 0.00 177.57 178.68 2bku n THR 93 N -3.21 0.04 -3.46 2.57 -1.04 -1.26 -1.63 114.28 106.29 2bku n THR 93 Ca -0.03 0.01 -0.23 0.00 -2.04 0.00 0.00 64.05 61.77 2bku n THR 93 Cb 0.11 -0.53 -0.12 0.00 -1.82 0.00 0.00 70.33 67.97 2bku n THR 93 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2bku s SER 94 N -2.38 2.50 0.33 8.00 0.15 0.53 -4.55 113.70 118.27 2bku s SER 94 Ca 0.33 -1.07 0.09 0.00 0.70 0.00 0.00 55.95 56.00 2bku s SER 94 Cb 0.20 0.11 0.83 0.00 -1.71 0.00 0.00 66.02 65.45 2bku s SER 94 CO 0.41 -0.40 1.78 0.03 1.20 0.00 0.00 173.24 176.26 2bku h ARG 95 N 8.23 0.65 -0.27 5.44 3.08 -1.84 -0.61 114.38 129.07 2bku h ARG 95 Ca -0.15 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 2bku h ARG 95 Cb 1.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 2bku h ARG 95 CO 0.37 0.43 -0.01 -0.24 -1.07 0.00 0.00 179.97 179.45 2bku h VAL 96 N 0.67 1.17 0.00 2.04 3.04 -1.96 0.21 116.25 121.43 2bku h VAL 96 Ca 0.57 -0.69 -0.03 0.00 -1.01 0.00 0.00 66.70 65.55 2bku h VAL 96 Cb 1.02 0.99 -0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2bku h VAL 96 CO -0.36 0.23 -0.14 0.71 -1.01 0.00 0.00 177.57 177.00 2bku h THR 97 N 0.40 0.42 0.09 3.17 1.35 -1.40 -1.52 112.91 115.41 2bku h THR 97 Ca 0.09 -0.81 -0.32 0.00 -0.55 0.00 0.00 66.41 64.82 2bku h THR 97 Cb 0.29 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 2bku h THR 97 CO 0.01 0.14 -1.71 0.22 -0.25 0.00 0.00 175.52 173.93 2bku h TYR 98 N 0.00 0.35 -0.70 4.73 3.20 -1.39 -3.32 116.97 119.84 2bku h TYR 98 Ca -0.00 -0.25 0.11 0.00 3.14 0.00 0.00 58.73 61.72 2bku h TYR 98 Cb 0.57 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 2bku h TYR 98 CO 0.00 1.41 0.46 -0.22 -1.64 0.00 0.00 178.16 178.17 2bku h LYS 99 N 0.05 0.51 -0.01 1.82 3.64 -0.59 -1.63 116.57 120.36 2bku h LYS 99 Ca -0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2bku h LYS 99 Cb 2.02 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 2bku h LYS 99 CO 0.12 0.34 -0.09 0.09 -2.27 0.00 0.00 179.45 177.64 2bku n ASN 100 N -4.48 0.59 0.01 4.20 5.03 -0.61 -4.30 115.26 115.69 2bku n ASN 100 Ca 0.12 -0.79 -0.10 0.00 0.87 0.00 0.00 54.58 54.69 2bku n ASN 100 Cb 0.39 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 39.08 2bku n ASN 100 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2bku h VAL 101 N 0.79 0.53 -0.94 2.41 2.07 -1.38 -1.42 116.25 118.30 2bku h VAL 101 Ca 0.00 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.75 2bku h VAL 101 Cb 0.34 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2bku h VAL 101 CO 0.00 0.00 0.63 -0.65 0.02 0.00 0.00 177.57 177.57 2bku h PRO 102 N -0.24 0.31 -0.30 1.57 0.11 -1.77 0.86 132.00 132.53 2bku h PRO 102 Ca 0.09 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 2bku h PRO 102 Cb 0.38 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2bku h PRO 102 CO -0.26 0.21 -0.03 -0.91 -0.21 0.00 0.00 178.00 176.80 2bku h ASN 103 N 0.32 0.56 -0.74 -2.05 2.35 -1.56 -2.09 115.58 112.37 2bku h ASN 103 Ca 0.49 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2bku h ASN 103 Cb 1.37 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.56 2bku h ASN 103 CO -0.17 0.76 0.48 -0.50 -1.65 0.00 0.00 177.43 176.35 2bku h TRP 104 N 0.34 0.93 -0.29 1.19 4.06 -0.39 -1.67 115.95 120.12 2bku h TRP 104 Ca 0.08 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.05 2bku h TRP 104 Cb 0.49 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 2bku h TRP 104 CO 0.04 0.59 0.19 1.25 -3.56 0.00 0.00 178.44 176.95 2bku h HIS 105 N 1.00 0.38 -0.02 0.49 2.76 -1.21 -2.11 115.15 116.44 2bku h HIS 105 Ca 0.27 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.46 2bku h HIS 105 Cb -0.11 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 2bku h HIS 105 CO -0.02 0.26 -0.10 -0.09 -1.30 0.00 0.00 177.93 176.68 2bku h ARG 106 N 0.38 -0.15 0.00 5.26 2.43 -0.95 -1.64 114.38 119.70 2bku h ARG 106 Ca 0.11 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2bku h ARG 106 Cb -0.02 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2bku h ARG 106 CO -0.02 -0.10 -0.18 -0.44 -1.51 0.00 0.00 179.97 177.72 2bku h ASP 107 N -0.16 0.00 0.53 -3.80 3.32 -1.23 -2.34 116.42 112.75 2bku h ASP 107 Ca 0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2bku h ASP 107 Cb 0.22 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.77 2bku h ASP 107 CO -0.12 0.18 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.26 2bku h LEU 108 N 0.00 -0.60 -1.37 1.55 3.38 -0.89 -3.34 115.31 114.04 2bku h LEU 108 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2bku h LEU 108 Cb 0.35 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2bku h LEU 108 CO 0.02 -0.21 0.00 -0.37 0.09 0.00 0.00 178.44 177.97 2bku h VAL 109 N -1.09 0.00 0.00 1.22 -1.51 -1.11 0.91 116.25 114.67 2bku h VAL 109 Ca -0.07 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2bku h VAL 109 Cb 0.61 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2bku h VAL 109 CO 0.12 0.00 0.00 0.03 -1.23 0.00 0.00 177.57 176.49 2bku h ARG 110 N 0.00 0.00 0.00 5.19 3.08 -1.55 -3.28 114.38 117.82 2bku h ARG 110 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2bku h ARG 110 Cb 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2bku h ARG 110 CO 0.00 0.00 -1.57 0.28 -1.07 0.00 0.00 179.97 177.61 2bku n VAL 111 N -2.82 0.58 -3.61 2.04 0.31 -0.35 -4.85 118.33 109.62 2bku n VAL 111 Ca 0.00 -0.21 -0.39 0.00 -0.01 0.00 0.00 64.34 63.72 2bku n VAL 111 Cb 0.22 -0.92 -0.07 0.00 -0.91 0.00 0.00 33.84 32.15 2bku n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bku n GLU 113 N 3.68 -0.03 -3.63 0.00 2.13 -1.24 -4.20 120.64 117.35 2bku n GLU 113 Ca 0.09 0.89 -0.29 0.00 0.66 0.00 0.00 57.16 58.50 2bku n GLU 113 Cb 0.40 -1.33 -0.13 0.00 0.27 0.00 0.00 31.44 30.65 2bku n GLU 113 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2bku s ASN 114 N -3.18 3.51 0.11 4.31 3.04 -1.26 -4.86 114.94 116.61 2bku s ASN 114 Ca -0.01 -2.25 0.05 0.00 0.04 0.00 0.00 52.86 50.69 2bku s ASN 114 Cb 0.01 -0.79 -0.04 0.00 -1.54 0.00 0.00 41.25 38.90 2bku s ASN 114 CO 0.04 -0.31 -0.13 0.27 -3.04 0.00 0.00 177.10 173.93 2bku s ILE 115 N 0.88 1.18 0.09 -5.21 -4.36 -1.26 -5.07 121.20 107.45 2bku s ILE 115 Ca 0.16 -1.68 -0.30 0.00 -0.26 0.00 0.00 60.65 58.56 2bku s ILE 115 Cb -0.22 -1.46 -0.06 0.00 1.25 0.00 0.00 42.46 41.97 2bku s ILE 115 CO -0.06 -0.47 1.15 -2.16 0.24 0.00 0.00 174.94 173.65 2bku s PRO 116 N -2.70 4.49 -0.03 0.37 0.04 -1.26 -4.93 135.00 130.97 2bku s PRO 116 Ca 0.07 1.73 0.04 0.00 0.04 0.00 0.00 61.00 62.88 2bku s PRO 116 Cb -0.04 -3.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 2bku s PRO 116 CO 0.02 -0.15 -0.14 0.42 0.04 0.00 0.00 177.00 177.19 2bku s ILE 117 N 0.68 1.20 -0.11 0.56 1.01 -1.26 -1.99 121.20 121.29 2bku s ILE 117 Ca 0.55 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 2bku s ILE 117 Cb -0.29 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 2bku s ILE 117 CO 0.31 0.35 -0.05 -0.69 0.00 0.00 0.00 174.94 174.86 2bku s VAL 118 N 0.04 3.79 -0.26 2.92 1.01 -0.39 -3.63 120.40 123.88 2bku s VAL 118 Ca -0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 2bku s VAL 118 Cb -0.10 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 2bku s VAL 118 CO 0.01 0.55 0.16 -0.22 0.00 0.00 0.00 175.10 175.61 2bku s LEU 119 N -0.26 4.00 -0.15 3.92 2.96 0.38 -0.82 118.68 128.70 2bku s LEU 119 Ca 0.04 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2bku s LEU 119 Cb -0.13 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.48 2bku s LEU 119 CO 0.02 0.01 -0.17 0.00 -1.32 0.00 0.00 176.35 174.89 2bku s GLY 121 N 0.82 1.79 0.55 0.00 0.00 -0.43 -0.79 107.32 109.26 2bku s GLY 121 Ca -0.06 -2.00 -0.04 0.00 0.00 0.00 0.00 44.72 42.62 2bku s GLY 121 CO -0.01 1.50 0.84 0.21 0.00 0.00 0.00 173.10 175.64 2bku s ASN 122 N 3.14 5.67 -0.43 1.64 2.47 0.50 -0.91 114.94 127.01 2bku s ASN 122 Ca 0.13 0.62 0.00 0.00 0.42 0.00 0.00 52.86 54.02 2bku s ASN 122 Cb -0.22 -1.67 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 2bku s ASN 122 CO 0.09 -0.97 0.00 0.29 -3.72 0.00 0.00 177.10 172.79 2bku n LYS 123 N -2.46 -0.37 0.09 0.43 5.02 -0.94 -1.23 118.16 118.70 2bku n LYS 123 Ca 0.04 0.33 0.09 0.00 -2.02 0.00 0.00 58.31 56.74 2bku n LYS 123 Cb 0.58 -4.08 0.39 0.00 -0.02 0.00 0.00 35.03 31.90 2bku n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2bku n VAL 124 N -3.76 1.08 0.21 -0.18 0.24 -1.09 -1.64 118.33 113.19 2bku n VAL 124 Ca -0.06 0.38 0.07 0.00 -2.04 0.00 0.00 64.34 62.69 2bku n VAL 124 Cb 0.46 -1.29 0.48 0.00 -1.47 0.00 0.00 33.84 32.03 2bku n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2bku h ASP 125 N 0.00 0.00 -3.77 -1.34 2.03 -1.92 -3.44 116.42 107.97 2bku h ASP 125 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 2bku h ASP 125 Cb 0.21 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.76 2bku h ASP 125 CO 0.00 0.27 0.62 -0.63 -1.03 0.00 0.00 179.24 178.47 2bku s ILE 126 N -4.10 2.91 0.00 4.15 1.01 -0.65 -4.96 121.20 119.56 2bku s ILE 126 Ca -0.02 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.51 2bku s ILE 126 Cb 0.13 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 39.04 2bku s ILE 126 CO 0.67 0.20 0.99 1.17 0.00 0.00 0.00 174.94 177.96 2bku n LYS 127 N 1.20 0.00 -3.04 2.79 3.00 -1.26 -4.22 118.16 116.63 2bku n LYS 127 Ca 0.01 0.60 -0.44 0.00 -0.00 0.00 0.00 58.31 58.48 2bku n LYS 127 Cb 0.42 -1.49 -0.05 0.00 0.00 0.00 0.00 35.03 33.92 2bku n LYS 127 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2bku s ASP 128 N -2.22 6.22 0.35 3.14 -4.77 -1.26 -5.03 116.67 113.10 2bku s ASP 128 Ca 0.00 -0.96 -0.28 0.00 -3.30 0.00 0.00 52.55 48.01 2bku s ASP 128 Cb 0.00 -2.34 -0.10 0.00 -1.09 0.00 0.00 42.92 39.38 2bku s ASP 128 CO 0.00 -1.10 1.36 -0.13 0.70 0.00 0.00 175.17 176.00 2bku s ARG 129 N 3.13 4.25 0.00 2.11 0.52 -1.26 -4.86 118.95 122.84 2bku s ARG 129 Ca 0.18 2.33 0.21 0.00 -0.52 0.00 0.00 55.73 57.93 2bku s ARG 129 Cb -0.19 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 2bku s ARG 129 CO 0.11 -0.32 1.01 1.63 0.02 0.00 0.00 175.30 177.75 2bku n LYS 130 N 0.64 1.15 -3.62 3.54 4.76 -0.77 -4.74 118.16 119.11 2bku n LYS 130 Ca 0.01 -0.79 -0.29 0.00 -2.87 0.00 0.00 58.31 54.36 2bku n LYS 130 Cb 0.41 -1.44 -0.12 0.00 -1.84 0.00 0.00 35.03 32.04 2bku n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2bku s VAL 131 N -2.46 1.07 0.82 -0.18 1.01 -0.65 -4.70 120.40 115.32 2bku s VAL 131 Ca 0.16 -2.50 -0.12 0.00 0.00 0.00 0.00 61.98 59.52 2bku s VAL 131 Cb 0.17 -1.75 0.08 0.00 0.00 0.00 0.00 36.38 34.88 2bku s VAL 131 CO 0.59 -0.97 1.11 -0.54 0.00 0.00 0.00 175.10 175.29 2bku s LYS 132 N 0.34 1.91 0.49 2.72 1.02 -1.26 -4.88 119.74 120.08 2bku s LYS 132 Ca 0.20 0.53 0.28 0.00 0.02 0.00 0.00 55.97 57.00 2bku s LYS 132 Cb -0.19 -1.91 1.37 0.00 -0.52 0.00 0.00 37.83 36.58 2bku s LYS 132 CO -0.04 -1.72 1.84 0.00 -0.92 0.00 0.00 175.35 174.52 2bku h ALA 133 N -1.16 2.70 -0.59 5.17 0.00 -2.00 -1.30 119.26 122.07 2bku h ALA 133 Ca -0.48 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.45 2bku h ALA 133 Cb 1.28 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2bku h ALA 133 CO 0.60 -1.00 0.37 -0.22 0.00 0.00 0.00 179.25 179.00 2bku h LYS 134 N 0.14 0.71 0.00 0.00 3.64 -2.04 -2.97 116.57 116.05 2bku h LYS 134 Ca 0.50 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.80 2bku h LYS 134 Cb 1.71 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 2bku h LYS 134 CO -0.09 0.47 -0.18 0.77 -2.27 0.00 0.00 179.45 178.15 2bku h SER 135 N 0.73 0.00 -2.12 4.20 0.02 -1.59 -3.42 113.55 111.37 2bku h SER 135 Ca 0.24 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.64 2bku h SER 135 Cb -0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 2bku h SER 135 CO -0.09 0.18 1.14 -0.63 -1.14 0.00 0.00 176.83 176.29 2bku s ILE 136 N -3.32 3.74 0.00 3.27 1.01 -1.12 -4.72 121.20 120.06 2bku s ILE 136 Ca 0.04 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2bku s ILE 136 Cb 0.07 -4.90 0.00 0.00 0.01 0.00 0.00 42.46 37.64 2bku s ILE 136 CO 0.66 -1.83 0.35 1.33 0.00 0.00 0.00 174.94 175.45 2bku n VAL 137 N 6.50 0.05 0.01 2.92 0.24 -1.26 -4.84 118.33 121.96 2bku n VAL 137 Ca 0.09 -0.34 -0.18 0.00 -2.04 0.00 0.00 64.34 61.87 2bku n VAL 137 Cb 0.49 1.32 -0.11 0.00 -1.47 0.00 0.00 33.84 34.07 2bku n VAL 137 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2bku h PHE 138 N 0.00 0.67 -1.07 6.34 3.57 -2.00 -2.83 116.94 121.62 2bku h PHE 138 Ca 0.00 -0.37 0.34 0.00 3.53 0.00 0.00 57.97 61.47 2bku h PHE 138 Cb 0.23 -0.07 -0.14 0.00 2.79 0.00 0.00 35.95 38.76 2bku h PHE 138 CO 0.00 1.20 0.64 1.12 -2.23 0.00 0.00 178.31 179.04 2bku h HIS 139 N -0.04 0.81 -0.29 0.41 2.07 -1.88 -1.02 115.15 115.20 2bku h HIS 139 Ca -0.09 0.03 -0.13 0.00 -2.85 0.00 0.00 60.37 57.34 2bku h HIS 139 Cb 1.39 -0.21 -0.00 0.00 2.57 0.00 0.00 27.41 31.15 2bku h HIS 139 CO 0.14 -0.16 -0.32 -0.09 -3.07 0.00 0.00 177.93 174.42 2bku h ARG 140 N 0.27 0.74 0.00 5.12 2.43 -1.77 -0.21 114.38 120.95 2bku h ARG 140 Ca 0.74 -0.40 -0.12 0.00 -0.81 0.00 0.00 59.98 59.39 2bku h ARG 140 Cb 1.87 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.42 2bku h ARG 140 CO -0.53 1.02 -0.57 0.87 -1.51 0.00 0.00 179.97 179.25 2bku h LYS 141 N 0.49 0.00 0.00 0.20 1.57 -1.00 -3.31 116.57 114.52 2bku h LYS 141 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2bku h LYS 141 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 2bku h LYS 141 CO 0.08 0.57 -0.36 1.63 -0.57 0.00 0.00 179.45 180.79 2bku n LYS 142 N -3.62 1.34 -4.25 3.15 4.76 -0.95 -5.01 118.16 113.59 2bku n LYS 142 Ca -0.00 -2.91 -0.33 0.00 -2.87 0.00 0.00 58.31 52.19 2bku n LYS 142 Cb 0.62 -1.45 -0.08 0.00 -1.84 0.00 0.00 35.03 32.29 2bku n LYS 142 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2bku n ASN 143 N -1.10 0.09 -4.99 4.39 3.02 -0.72 -4.98 115.26 110.98 2bku n ASN 143 Ca 0.17 -1.26 -0.18 0.00 -0.03 0.00 0.00 54.58 53.28 2bku n ASN 143 Cb 0.70 -1.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 2bku n ASN 143 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bku s LEU 144 N -7.36 3.63 -0.14 3.41 1.43 -0.17 -5.01 118.68 114.46 2bku s LEU 144 Ca 0.07 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 2bku s LEU 144 Cb -0.04 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 2bku s LEU 144 CO 0.99 -0.73 0.23 -1.58 0.23 0.00 0.00 176.35 175.49 2bku s GLN 145 N -4.30 3.98 0.01 1.70 2.00 -1.24 -4.65 119.66 117.16 2bku s GLN 145 Ca 0.53 -0.00 0.05 0.00 -2.00 0.00 0.00 55.36 53.94 2bku s GLN 145 Cb -0.09 -3.33 -0.03 0.00 0.80 0.00 0.00 33.01 30.36 2bku s GLN 145 CO 0.32 0.46 -0.13 -0.47 -0.50 0.00 0.00 175.29 174.96 2bku s TYR 146 N -0.16 2.70 -0.02 1.67 5.04 -1.26 -0.47 117.35 124.86 2bku s TYR 146 Ca 0.15 -0.16 0.01 0.00 -2.44 0.00 0.00 57.07 54.63 2bku s TYR 146 Cb -0.13 -1.55 0.01 0.00 0.35 0.00 0.00 41.96 40.65 2bku s TYR 146 CO 0.04 0.28 -0.03 0.71 -1.34 0.00 0.00 175.55 175.21 2bku s TYR 147 N -0.92 0.38 0.24 4.97 2.02 -0.33 -4.96 117.35 118.75 2bku s TYR 147 Ca 0.15 -0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.49 2bku s TYR 147 Cb -0.11 -0.34 -0.11 0.00 -0.40 0.00 0.00 41.96 41.01 2bku s TYR 147 CO 0.05 -0.07 1.53 -0.51 -1.57 0.00 0.00 175.55 174.98 2bku s ASP 148 N 0.42 6.54 0.05 2.29 1.01 -1.26 -1.32 116.67 124.40 2bku s ASP 148 Ca -0.04 2.75 0.00 0.00 0.71 0.00 0.00 52.55 55.97 2bku s ASP 148 Cb -0.07 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 2bku s ASP 148 CO -0.01 -0.81 -0.05 -0.51 0.21 0.00 0.00 175.17 174.01 2bku s ILE 149 N 0.31 0.35 -0.17 0.77 1.10 -0.09 -4.61 121.20 118.86 2bku s ILE 149 Ca 0.64 -1.49 -0.04 0.00 -0.51 0.00 0.00 60.65 59.24 2bku s ILE 149 Cb -0.44 -1.09 0.08 0.00 0.15 0.00 0.00 42.46 41.15 2bku s ILE 149 CO 0.41 -0.75 0.17 -0.55 -2.11 0.00 0.00 174.94 172.12 2bku s SER 150 N -2.37 1.53 0.08 4.50 0.15 -1.01 -2.21 113.70 114.37 2bku s SER 150 Ca -0.00 -0.23 0.15 0.00 0.70 0.00 0.00 55.95 56.57 2bku s SER 150 Cb 0.00 0.18 0.64 0.00 -1.71 0.00 0.00 66.02 65.14 2bku s SER 150 CO -0.05 -0.32 1.46 0.00 1.20 0.00 0.00 173.24 175.54 2bku n ALA 151 N 5.31 1.52 -0.11 5.45 0.00 -1.26 -1.09 120.51 130.33 2bku n ALA 151 Ca -0.06 0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 2bku n ALA 151 Cb 0.49 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 2bku n ALA 151 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2bku n LYS 152 N -1.72 0.55 0.00 0.00 4.81 -1.26 -4.40 118.16 116.14 2bku n LYS 152 Ca 0.02 0.35 0.15 0.00 -0.87 0.00 0.00 58.31 57.97 2bku n LYS 152 Cb 0.15 -1.56 0.79 0.00 0.02 0.00 0.00 35.03 34.43 2bku n LYS 152 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2bku n SER 153 N -4.39 0.32 -2.75 3.14 3.41 -1.24 -4.92 113.62 107.19 2bku n SER 153 Ca -0.34 -0.86 -0.21 0.00 -0.26 0.00 0.00 58.87 57.21 2bku n SER 153 Cb 0.68 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.58 2bku n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2bku n ASN 154 N -0.86 -5.50 -4.71 4.04 4.13 -0.25 -4.95 115.26 107.16 2bku n ASN 154 Ca 0.20 -0.13 -0.42 0.00 1.68 0.00 0.00 54.58 55.91 2bku n ASN 154 Cb 0.20 -4.53 -0.03 0.00 -1.54 0.00 0.00 39.78 33.89 2bku n ASN 154 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2bku s TYR 155 N -3.03 3.22 -0.81 3.10 5.04 -1.08 -2.91 117.35 120.88 2bku s TYR 155 Ca 0.16 1.02 -0.00 0.00 -2.44 0.00 0.00 57.07 55.81 2bku s TYR 155 Cb -0.08 -3.61 0.00 0.00 0.35 0.00 0.00 41.96 38.63 2bku s TYR 155 CO 0.20 -2.10 0.02 0.09 -1.34 0.00 0.00 175.55 172.41 2bku n ASN 156 N 4.24 -3.20 -0.37 4.32 3.02 -1.26 -2.42 115.26 119.59 2bku n ASN 156 Ca 0.11 0.25 -0.02 0.00 -0.03 0.00 0.00 54.58 54.89 2bku n ASN 156 Cb 0.44 -2.75 0.03 0.00 -0.61 0.00 0.00 39.78 36.88 2bku n ASN 156 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2bku n PHE 157 N -3.19 -0.02 1.04 3.10 -0.00 -1.15 -1.63 117.46 115.61 2bku n PHE 157 Ca -0.11 1.18 0.12 0.00 -0.00 0.00 0.00 57.45 58.65 2bku n PHE 157 Cb 0.58 -0.83 0.28 0.00 -0.00 0.00 0.00 39.48 39.52 2bku n PHE 157 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2bku n GLU 158 N -5.39 0.11 0.02 -4.13 1.02 -1.26 -4.53 120.64 106.48 2bku n GLU 158 Ca 0.09 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.07 2bku n GLU 158 Cb 0.37 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 2bku n GLU 158 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2bku h LYS 159 N 0.15 -0.18 -0.86 3.49 1.79 -1.70 -1.09 116.57 118.18 2bku h LYS 159 Ca 0.00 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.57 2bku h LYS 159 Cb 0.50 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.13 2bku h LYS 159 CO 0.00 -0.12 0.56 -1.35 -1.08 0.00 0.00 179.45 177.46 2bku h PRO 160 N -0.19 0.86 -0.03 3.15 0.11 -1.80 -0.24 132.00 133.87 2bku h PRO 160 Ca 0.07 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 65.92 2bku h PRO 160 Cb 0.29 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 2bku h PRO 160 CO -0.19 0.57 -0.86 0.74 -0.21 0.00 0.00 178.00 178.06 2bku h PHE 161 N 0.89 0.53 0.03 0.65 0.04 -1.77 -2.27 116.94 115.04 2bku h PHE 161 Ca 0.39 -0.27 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 2bku h PHE 161 Cb 0.34 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2bku h PHE 161 CO -0.00 1.07 -0.02 1.25 -0.60 0.00 0.00 178.31 180.01 2bku h LEU 162 N 0.22 -0.04 -0.53 1.54 5.85 -0.25 -0.44 115.31 121.66 2bku h LEU 162 Ca -0.06 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.50 2bku h LEU 162 Cb 1.47 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 2bku h LEU 162 CO 0.15 0.15 0.33 -0.25 -0.34 0.00 0.00 178.44 178.48 2bku h TRP 163 N -0.23 0.62 -0.25 1.25 7.01 -1.13 -1.85 115.95 121.37 2bku h TRP 163 Ca -0.00 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 2bku h TRP 163 Cb 0.21 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 2bku h TRP 163 CO -0.01 0.37 0.06 -0.07 -2.79 0.00 0.00 178.44 176.00 2bku h LEU 164 N 0.66 0.38 -0.54 0.65 3.38 -1.32 -2.11 115.31 116.41 2bku h LEU 164 Ca 0.20 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.02 2bku h LEU 164 Cb -0.02 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2bku h LEU 164 CO -0.07 0.51 0.19 0.00 0.09 0.00 0.00 178.44 179.15 2bku h ALA 165 N 0.88 0.67 0.44 1.53 0.00 -0.93 0.32 119.26 122.17 2bku h ALA 165 Ca 0.08 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2bku h ALA 165 Cb 0.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2bku h ALA 165 CO 0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 179.25 178.83 2bku h ARG 166 N 0.36 -0.57 -0.86 0.00 3.08 -1.16 0.16 114.38 115.39 2bku h ARG 166 Ca 0.27 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.37 2bku h ARG 166 Cb 0.31 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 2bku h ARG 166 CO -0.28 -0.37 0.57 -0.22 -1.07 0.00 0.00 179.97 178.60 2bku h LYS 167 N -0.60 1.10 -0.17 0.04 1.63 -1.13 0.51 116.57 117.95 2bku h LYS 167 Ca -0.06 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.65 2bku h LYS 167 Cb 0.46 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2bku h LYS 167 CO 0.10 0.73 -0.00 -0.07 -3.45 0.00 0.00 179.45 176.76 2bku h LEU 168 N 1.13 0.29 -0.14 5.20 -0.00 -0.16 -3.02 115.31 118.61 2bku h LEU 168 Ca 0.33 -0.31 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2bku h LEU 168 Cb -0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 2bku h LEU 168 CO -0.09 0.53 0.00 0.40 -0.00 0.00 0.00 178.44 179.28 2bku h ILE 169 N 0.04 0.00 -0.40 1.22 1.08 -0.55 -3.47 117.51 115.43 2bku h ILE 169 Ca 0.05 -0.66 -0.13 0.00 -0.39 0.00 0.00 64.86 63.73 2bku h ILE 169 Cb 0.38 1.64 -0.04 0.00 -3.07 0.00 0.00 36.82 35.72 2bku h ILE 169 CO 0.01 0.00 -0.13 0.61 -0.69 0.00 0.00 178.15 177.95 2bku n GLY 170 N 1.06 0.75 3.03 5.37 0.00 0.17 -5.02 105.19 110.54 2bku n GLY 170 Ca 0.04 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 2bku n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bku s ASP 171 N -2.90 4.47 0.36 1.61 3.68 -0.86 -5.00 116.67 118.03 2bku s ASP 171 Ca 0.00 -1.63 0.24 0.00 2.13 0.00 0.00 52.55 53.30 2bku s ASP 171 Cb 0.00 -1.51 1.32 0.00 -1.45 0.00 0.00 42.92 41.28 2bku s ASP 171 CO 0.00 -0.26 1.74 -0.65 0.13 0.00 0.00 175.17 176.12 2bku h PRO 172 N 7.75 0.00 -0.66 4.34 0.11 -1.96 -3.00 132.00 138.58 2bku h PRO 172 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2bku h PRO 172 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2bku h PRO 172 CO 0.47 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.35 2bku n ASN 173 N -2.35 4.33 -4.75 -2.05 5.03 -1.26 -4.99 115.26 109.22 2bku n ASN 173 Ca -0.02 -2.26 -0.41 0.00 0.87 0.00 0.00 54.58 52.76 2bku n ASN 173 Cb 0.04 -0.52 -0.02 0.00 -1.02 0.00 0.00 39.78 38.26 2bku n ASN 173 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2bku s LEU 174 N -1.49 4.40 0.06 3.41 2.96 -1.14 -5.01 118.68 121.87 2bku s LEU 174 Ca 0.49 2.64 0.05 0.00 -0.22 0.00 0.00 54.13 57.09 2bku s LEU 174 Cb 0.29 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 2bku s LEU 174 CO 0.27 -0.64 -0.14 -1.61 -1.32 0.00 0.00 176.35 172.92 2bku s GLU 175 N -0.73 0.84 -0.24 1.98 0.41 -1.26 -4.99 118.70 114.70 2bku s GLU 175 Ca 0.56 -0.86 -0.15 0.00 -0.41 0.00 0.00 54.97 54.11 2bku s GLU 175 Cb -0.41 -0.84 -0.10 0.00 -1.78 0.00 0.00 34.13 31.01 2bku s GLU 175 CO 0.45 0.19 -0.35 1.19 -0.49 0.00 0.00 175.26 176.26 2bku n PHE 176 N 1.54 0.00 0.00 1.61 3.01 -1.26 -1.05 117.46 121.31 2bku n PHE 176 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 2bku n PHE 176 Cb 0.54 -0.83 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 2bku n PHE 176 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32