#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbo s GLN 2 N 0.00 2.91 -0.20 0.54 0.74 -1.26 -5.11 119.66 117.28 3hbo s GLN 2 Ca 0.00 -0.79 -0.01 0.00 0.05 0.00 0.00 55.36 54.61 3hbo s GLN 2 Cb 0.00 -2.38 0.01 0.00 1.10 0.00 0.00 33.01 31.74 3hbo s GLN 2 CO 0.00 0.33 -0.14 0.42 -0.55 0.00 0.00 175.29 175.35 3hbo s ILE 3 N -0.01 2.52 0.81 -2.34 1.01 -1.26 -5.12 121.20 116.81 3hbo s ILE 3 Ca -0.06 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 3hbo s ILE 3 Cb -0.15 -2.12 0.11 0.00 0.01 0.00 0.00 42.46 40.32 3hbo s ILE 3 CO 0.05 0.47 1.15 0.42 0.00 0.00 0.00 174.94 177.02 3hbo s THR 4 N 1.34 2.10 -0.15 2.92 -4.23 -1.26 -5.01 115.64 111.36 3hbo s THR 4 Ca 0.05 -0.14 0.18 0.00 -1.18 0.00 0.00 61.69 60.59 3hbo s THR 4 Cb -0.14 -2.96 0.35 0.00 1.34 0.00 0.00 72.50 71.09 3hbo s THR 4 CO -0.09 0.00 1.22 0.18 -0.54 0.00 0.00 174.62 175.39 3hbo n LEU 5 N -3.28 2.76 0.03 4.79 4.77 -1.26 -4.60 117.00 120.22 3hbo n LEU 5 Ca 0.11 -3.03 0.02 0.00 -0.03 0.00 0.00 56.01 53.07 3hbo n LEU 5 Cb 0.60 -0.45 0.36 0.00 -2.33 0.00 0.00 43.42 41.61 3hbo n LEU 5 CO 0.51 0.70 1.00 -0.50 -1.33 0.00 0.00 177.39 177.76 3hbo h TRP 6 N 0.51 0.47 -2.46 -1.77 4.06 -2.06 -3.43 115.95 111.26 3hbo h TRP 6 Ca 0.00 -0.03 -0.52 0.00 2.06 0.00 0.00 58.89 60.40 3hbo h TRP 6 Cb 1.11 -0.14 -0.14 0.00 -1.00 0.00 0.00 29.16 28.99 3hbo h TRP 6 CO 0.14 0.43 -0.64 -1.59 -3.56 0.00 0.00 178.44 173.22 3hbo s LYS 7 N -5.09 1.69 0.23 0.49 -2.85 -1.26 -5.10 119.74 107.85 3hbo s LYS 7 Ca -0.07 -1.91 -0.31 0.00 -1.00 0.00 0.00 55.97 52.67 3hbo s LYS 7 Cb 0.16 -1.19 -0.14 0.00 -2.06 0.00 0.00 37.83 34.61 3hbo s LYS 7 CO 0.75 -0.05 1.40 0.54 0.10 0.00 0.00 175.35 178.08 3hbo n ARG 8 N -0.71 1.97 -2.44 1.78 1.74 -1.26 -4.84 116.66 112.90 3hbo n ARG 8 Ca -0.04 0.70 -0.39 0.00 -0.77 0.00 0.00 57.85 57.35 3hbo n ARG 8 Cb 0.65 -2.36 -0.02 0.00 -1.02 0.00 0.00 32.46 29.72 3hbo n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3hbo n PRO 9 N 2.09 2.79 -3.68 5.56 -0.04 -1.26 -4.95 135.00 135.50 3hbo n PRO 9 Ca 0.12 -3.07 -0.36 0.00 -0.04 0.00 0.00 63.50 60.15 3hbo n PRO 9 Cb 0.31 -3.56 -0.07 0.00 -0.04 0.00 0.00 33.50 30.14 3hbo n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hbo s LEU 10 N 5.92 4.31 0.19 1.53 1.43 -1.26 -1.16 118.68 129.64 3hbo s LEU 10 Ca 0.58 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 3hbo s LEU 10 Cb 0.03 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 3hbo s LEU 10 CO 0.09 0.24 0.03 0.68 0.23 0.00 0.00 176.35 177.63 3hbo s VAL 11 N -0.23 0.57 -0.03 -1.59 -7.23 0.04 -4.95 120.40 106.98 3hbo s VAL 11 Ca 0.15 -1.98 -0.21 0.00 -1.81 0.00 0.00 61.98 58.13 3hbo s VAL 11 Cb -0.13 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 3hbo s VAL 11 CO 0.04 -0.35 0.60 -0.89 -0.31 0.00 0.00 175.10 174.19 3hbo s THR 12 N -3.74 4.97 0.19 5.32 2.01 -1.26 -0.74 115.64 122.39 3hbo s THR 12 Ca 0.28 1.25 0.10 0.00 0.31 0.00 0.00 61.69 63.63 3hbo s THR 12 Cb 0.07 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 3hbo s THR 12 CO 0.06 0.37 -0.20 0.27 -0.69 0.00 0.00 174.62 174.44 3hbo s ILE 13 N 0.09 2.04 -0.11 1.82 -4.36 -0.08 -4.62 121.20 115.98 3hbo s ILE 13 Ca 0.32 -2.04 0.03 0.00 -0.26 0.00 0.00 60.65 58.70 3hbo s ILE 13 Cb -0.18 -2.00 -0.00 0.00 1.25 0.00 0.00 42.46 41.53 3hbo s ILE 13 CO 0.17 -0.30 -0.21 -0.60 0.24 0.00 0.00 174.94 174.24 3hbo s ARG 14 N -2.93 3.15 -0.11 0.37 3.52 0.08 -1.09 118.95 121.94 3hbo s ARG 14 Ca 0.20 -0.82 -0.05 0.00 -0.13 0.00 0.00 55.73 54.92 3hbo s ARG 14 Cb -0.06 -2.41 0.05 0.00 -1.56 0.00 0.00 34.95 30.97 3hbo s ARG 14 CO 0.09 0.18 0.25 -1.50 -0.81 0.00 0.00 175.30 173.51 3hbo s ILE 15 N 0.36 -0.05 -1.80 4.11 2.07 0.53 -1.10 121.20 125.32 3hbo s ILE 15 Ca -0.16 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 3hbo s ILE 15 Cb -0.17 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.03 3hbo s ILE 15 CO 0.08 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.78 3hbo n GLY 16 N 4.28 0.20 2.31 1.50 0.00 -1.26 -0.23 105.19 112.00 3hbo n GLY 16 Ca -0.25 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3hbo n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbo n GLY 17 N -0.89 0.83 3.51 -0.02 0.00 -1.26 -5.03 105.19 102.33 3hbo n GLY 17 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 3hbo n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbo s GLN 18 N -0.15 2.72 -0.00 1.61 -1.52 0.69 -5.11 119.66 117.89 3hbo s GLN 18 Ca 0.00 -0.63 -0.21 0.00 -1.95 0.00 0.00 55.36 52.57 3hbo s GLN 18 Cb 0.00 -2.50 -0.05 0.00 -0.22 0.00 0.00 33.01 30.23 3hbo s GLN 18 CO 0.00 0.59 0.61 -0.51 -0.25 0.00 0.00 175.29 175.73 3hbo s LEU 19 N -0.63 4.42 0.14 2.90 1.43 -1.26 -0.34 118.68 125.34 3hbo s LEU 19 Ca 0.09 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 3hbo s LEU 19 Cb -0.11 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 3hbo s LEU 19 CO 0.01 0.09 0.03 -0.54 0.23 0.00 0.00 176.35 176.18 3hbo s LYS 20 N -0.17 0.98 -0.15 1.70 1.02 -0.25 -4.99 119.74 117.88 3hbo s LYS 20 Ca 0.32 -1.46 -0.07 0.00 0.02 0.00 0.00 55.97 54.77 3hbo s LYS 20 Cb -0.18 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 3hbo s LYS 20 CO 0.18 -0.20 0.10 -2.00 -0.92 0.00 0.00 175.35 172.50 3hbo s GLU 21 N -3.99 3.68 0.06 1.68 2.12 -1.26 -0.90 118.70 120.08 3hbo s GLU 21 Ca 0.23 -0.24 -0.01 0.00 0.36 0.00 0.00 54.97 55.30 3hbo s GLU 21 Cb 0.07 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 3hbo s GLU 21 CO 0.02 0.54 -0.01 0.00 -0.54 0.00 0.00 175.26 175.27 3hbo s ALA 22 N -0.35 0.51 -0.19 6.30 0.00 0.08 -4.49 121.76 123.62 3hbo s ALA 22 Ca 0.10 -1.21 -0.13 0.00 0.00 0.00 0.00 51.96 50.73 3hbo s ALA 22 Cb -0.12 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 3hbo s ALA 22 CO 0.01 -0.39 0.25 -1.17 0.00 0.00 0.00 175.76 174.46 3hbo s LEU 23 N -2.93 4.20 -0.41 0.00 2.96 0.64 -0.78 118.68 122.35 3hbo s LEU 23 Ca 0.09 0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 54.09 3hbo s LEU 23 Cb 0.08 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.50 3hbo s LEU 23 CO -0.09 0.09 1.26 -0.76 -1.32 0.00 0.00 176.35 175.54 3hbo s LEU 24 N 0.65 3.68 -0.37 -0.68 1.43 -0.31 -0.50 118.68 122.58 3hbo s LEU 24 Ca 0.13 0.76 0.04 0.00 -1.03 0.00 0.00 54.13 54.03 3hbo s LEU 24 Cb -0.13 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 3hbo s LEU 24 CO 0.03 -1.27 0.09 -0.62 0.23 0.00 0.00 176.35 174.81 3hbo s ASP 25 N 3.01 4.65 0.39 2.29 -1.08 -0.17 -4.79 116.67 120.97 3hbo s ASP 25 Ca 0.54 -2.31 0.28 0.00 -0.52 0.00 0.00 52.55 50.54 3hbo s ASP 25 Cb -0.11 -1.60 1.29 0.00 -1.46 0.00 0.00 42.92 41.03 3hbo s ASP 25 CO 0.30 -0.35 1.84 0.71 0.52 0.00 0.00 175.17 178.18 3hbo h THR 26 N 6.38 0.00 -0.28 1.71 1.35 -1.93 -1.21 112.91 118.93 3hbo h THR 26 Ca -0.05 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3hbo h THR 26 Cb 0.99 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3hbo h THR 26 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 3hbo n GLY 27 N -0.43 0.51 3.45 5.82 0.00 -1.26 -4.84 105.19 108.44 3hbo n GLY 27 Ca 0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3hbo n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbo s ALA 28 N -1.63 2.97 0.22 4.61 0.00 -0.46 -5.00 121.76 122.48 3hbo s ALA 28 Ca 0.27 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 3hbo s ALA 28 Cb 0.14 -1.63 0.22 0.00 0.00 0.00 0.00 23.12 21.86 3hbo s ALA 28 CO 0.20 0.02 1.58 -0.44 0.00 0.00 0.00 175.76 177.12 3hbo h ASP 29 N 7.13 0.53 -2.24 0.00 3.32 -1.88 0.84 116.42 124.12 3hbo h ASP 29 Ca -0.33 -0.25 -0.57 0.00 0.02 0.00 0.00 57.03 55.89 3hbo h ASP 29 Cb 1.18 -0.15 -0.13 0.00 0.22 0.00 0.00 39.33 40.45 3hbo h ASP 29 CO 0.61 0.92 -0.60 -1.81 -1.72 0.00 0.00 179.24 176.64 3hbo s ASP 30 N -6.88 3.30 -0.15 6.45 1.01 -1.26 -2.64 116.67 116.50 3hbo s ASP 30 Ca -0.07 -1.39 -0.06 0.00 0.71 0.00 0.00 52.55 51.74 3hbo s ASP 30 Cb 0.12 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.79 3hbo s ASP 30 CO 0.82 -0.54 0.06 -0.89 0.21 0.00 0.00 175.17 174.84 3hbo s THR 31 N -2.95 4.82 -0.14 -1.27 2.01 -1.26 -3.26 115.64 113.59 3hbo s THR 31 Ca 0.34 -0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.30 3hbo s THR 31 Cb 0.09 -3.13 0.03 0.00 0.01 0.00 0.00 72.50 69.50 3hbo s THR 31 CO 0.16 0.51 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.85 3hbo s VAL 32 N -0.10 1.05 0.02 3.82 1.01 -0.11 -0.71 120.40 125.38 3hbo s VAL 32 Ca 0.07 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3hbo s VAL 32 Cb -0.12 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 3hbo s VAL 32 CO 0.01 0.26 -0.25 -0.63 0.00 0.00 0.00 175.10 174.49 3hbo s ILE 33 N 1.68 1.98 0.59 2.22 -1.09 0.21 -0.08 121.20 126.70 3hbo s ILE 33 Ca 0.03 -1.23 -0.15 0.00 -2.23 0.00 0.00 60.65 57.07 3hbo s ILE 33 Cb -0.14 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 39.03 3hbo s ILE 33 CO -0.08 0.40 1.04 -0.70 -1.23 0.00 0.00 174.94 174.38 3hbo s GLU 34 N -0.98 3.41 0.05 2.79 2.12 -1.26 -2.79 118.70 122.04 3hbo s GLU 34 Ca 0.10 1.13 0.00 0.00 0.36 0.00 0.00 54.97 56.56 3hbo s GLU 34 Cb -0.10 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.25 3hbo s GLU 34 CO 0.01 -0.73 0.00 -0.85 -0.54 0.00 0.00 175.26 173.15 3hbo n GLU 35 N -2.04 -0.29 0.00 4.30 0.28 -1.26 -4.88 120.64 116.74 3hbo n GLU 35 Ca 0.08 0.23 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 3hbo n GLU 35 Cb 0.53 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.60 3hbo n GLU 35 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3hbo n ASN 37 N -3.85 0.00 0.00 -1.84 3.02 -1.26 -4.86 115.26 106.48 3hbo n ASN 37 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hbo n ASN 37 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 3hbo n ASN 37 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hbo n LEU 38 N 0.00 0.00 -4.67 3.41 4.77 -1.26 -5.09 117.00 114.17 3hbo n LEU 38 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 3hbo n LEU 38 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3hbo n LEU 38 CO 0.00 0.00 0.73 -2.65 -1.33 0.00 0.00 177.39 174.14 3hbo n PRO 39 N 0.00 1.24 -2.83 3.23 -0.02 -1.26 -5.11 135.00 130.24 3hbo n PRO 39 Ca 0.00 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 3hbo n PRO 39 Cb 0.00 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.14 3hbo n PRO 39 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hbo s GLY 40 N -1.09 1.99 0.00 -1.23 0.00 -1.26 -5.12 107.32 100.61 3hbo s GLY 40 Ca 0.74 -2.97 0.00 0.00 0.00 0.00 0.00 44.72 42.49 3hbo s GLY 40 CO 0.48 2.23 0.00 -2.67 0.00 0.00 0.00 173.10 173.14 3hbo n TRP 42 N 6.79 0.00 -4.19 1.90 4.27 -1.26 -5.23 117.44 119.71 3hbo n TRP 42 Ca 0.34 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.80 3hbo n TRP 42 Cb 0.46 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.30 3hbo n TRP 42 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 3hbo s LYS 43 N -3.57 0.88 0.46 -2.67 -2.85 -0.80 -4.91 119.74 106.27 3hbo s LYS 43 Ca 0.00 -1.17 -0.21 0.00 -1.00 0.00 0.00 55.97 53.59 3hbo s LYS 43 Cb 0.00 -0.61 -0.09 0.00 -2.06 0.00 0.00 37.83 35.08 3hbo s LYS 43 CO 0.00 0.10 1.04 -1.25 0.10 0.00 0.00 175.35 175.34 3hbo s PRO 44 N -2.74 3.94 0.00 1.78 0.04 -1.26 -0.71 135.00 136.04 3hbo s PRO 44 Ca 0.06 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.49 3hbo s PRO 44 Cb -0.03 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3hbo s PRO 44 CO 0.01 -0.32 0.00 1.17 0.04 0.00 0.00 177.00 177.90 3hbo n LYS 45 N -0.67 0.00 0.00 4.56 4.81 -0.79 -4.85 118.16 121.21 3hbo n LYS 45 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 3hbo n LYS 45 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 3hbo n LYS 45 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3hbo n ILE 47 N 0.00 0.00 -4.29 3.15 -5.35 -0.70 -1.01 119.36 111.16 3hbo n ILE 47 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 3hbo n ILE 47 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 3hbo n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hbo s GLY 48 N 0.00 1.66 0.00 3.28 0.00 -1.26 -1.27 107.32 109.73 3hbo s GLY 48 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.90 3hbo s GLY 48 CO 0.00 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.16 3hbo n GLY 49 N -0.41 2.02 3.38 0.20 0.00 -1.26 -4.99 105.19 104.13 3hbo n GLY 49 Ca 0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 3hbo n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hbo n ILE 50 N 0.00 0.00 0.00 -0.61 5.41 -1.26 -4.73 119.36 118.17 3hbo n ILE 50 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3hbo n ILE 50 Cb 0.00 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.12 3hbo n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hbo n GLY 52 N 4.74 -0.43 3.56 7.39 0.00 -1.26 -5.15 105.19 114.05 3hbo n GLY 52 Ca 0.37 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 3hbo n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbo s PHE 53 N 0.00 2.65 0.16 1.61 0.40 -1.26 -4.36 117.98 117.17 3hbo s PHE 53 Ca 0.00 -0.21 0.09 0.00 -0.60 0.00 0.00 56.93 56.21 3hbo s PHE 53 Cb 0.00 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 3hbo s PHE 53 CO 0.00 0.47 -0.19 0.96 0.70 0.00 0.00 175.22 177.15 3hbo s ILE 54 N -1.47 1.87 0.02 0.64 -4.36 -0.39 -4.97 121.20 112.54 3hbo s ILE 54 Ca 0.23 -1.87 -0.25 0.00 -0.26 0.00 0.00 60.65 58.49 3hbo s ILE 54 Cb -0.10 -1.83 -0.05 0.00 1.25 0.00 0.00 42.46 41.73 3hbo s ILE 54 CO 0.14 -0.25 0.78 -0.54 0.24 0.00 0.00 174.94 175.32 3hbo s LYS 55 N -2.63 4.50 0.22 0.37 1.02 -1.26 -1.72 119.74 120.23 3hbo s LYS 55 Ca 0.15 1.08 0.02 0.00 0.02 0.00 0.00 55.97 57.23 3hbo s LYS 55 Cb -0.07 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 3hbo s LYS 55 CO 0.07 0.19 0.03 0.14 -0.92 0.00 0.00 175.35 174.86 3hbo s VAL 56 N 0.27 0.74 -0.29 3.17 -7.23 -0.18 -4.57 120.40 112.31 3hbo s VAL 56 Ca 0.40 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 3hbo s VAL 56 Cb -0.20 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 3hbo s VAL 56 CO 0.23 -0.27 0.12 -0.13 -0.31 0.00 0.00 175.10 174.73 3hbo s ARG 57 N -3.94 3.48 -0.19 4.82 0.52 0.16 -1.89 118.95 121.91 3hbo s ARG 57 Ca 0.30 -0.61 -0.21 0.00 -0.52 0.00 0.00 55.73 54.69 3hbo s ARG 57 Cb 0.07 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 3hbo s ARG 57 CO 0.09 -0.32 0.62 -1.14 0.02 0.00 0.00 175.30 174.57 3hbo s GLN 58 N 1.62 4.22 -0.07 3.54 0.74 0.11 0.17 119.66 130.00 3hbo s GLN 58 Ca 0.05 0.61 0.03 0.00 0.05 0.00 0.00 55.36 56.11 3hbo s GLN 58 Cb -0.16 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.36 3hbo s GLN 58 CO 0.05 -0.21 -0.16 0.71 -0.55 0.00 0.00 175.29 175.14 3hbo s TYR 59 N 1.80 2.67 0.17 1.67 1.51 -0.07 -1.90 117.35 123.21 3hbo s TYR 59 Ca 0.29 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 56.06 3hbo s TYR 59 Cb -0.16 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 3hbo s TYR 59 CO 0.11 0.04 0.12 -0.51 -1.11 0.00 0.00 175.55 174.20 3hbo s ASP 60 N -0.43 5.44 -1.36 2.29 -0.00 -1.26 -0.99 116.67 120.36 3hbo s ASP 60 Ca 0.05 -0.16 -0.04 0.00 -0.00 0.00 0.00 52.55 52.40 3hbo s ASP 60 Cb -0.12 -1.40 0.02 0.00 -0.00 0.00 0.00 42.92 41.43 3hbo s ASP 60 CO 0.02 0.07 0.82 0.00 -0.00 0.00 0.00 175.17 176.07 3hbo n GLN 61 N -0.36 -5.34 -3.33 8.23 1.13 -1.09 -4.92 117.38 111.70 3hbo n GLN 61 Ca -0.08 0.64 -0.39 0.00 -1.94 0.00 0.00 57.00 55.22 3hbo n GLN 61 Cb 0.55 -5.34 -0.08 0.00 0.11 0.00 0.00 30.24 25.48 3hbo n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3hbo s ILE 62 N -3.54 5.15 0.16 5.09 -1.09 0.20 -4.72 121.20 122.44 3hbo s ILE 62 Ca 0.20 0.73 -0.31 0.00 -2.23 0.00 0.00 60.65 59.04 3hbo s ILE 62 Cb -0.10 -3.76 -0.09 0.00 -1.58 0.00 0.00 42.46 36.93 3hbo s ILE 62 CO 0.81 0.17 1.45 -2.84 -1.23 0.00 0.00 174.94 173.30 3hbo s PRO 63 N 1.88 4.28 -0.12 2.79 0.02 -1.26 -1.86 135.00 140.73 3hbo s PRO 63 Ca 0.19 2.21 -0.04 0.00 0.02 0.00 0.00 61.00 63.38 3hbo s PRO 63 Cb -0.15 -3.19 0.06 0.00 0.02 0.00 0.00 34.50 31.23 3hbo s PRO 63 CO 0.09 -0.48 0.14 0.08 -0.33 0.00 0.00 177.00 176.50 3hbo s VAL 64 N 0.87 -0.21 -0.04 3.83 1.01 0.02 -4.22 120.40 121.66 3hbo s VAL 64 Ca 0.65 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 62.62 3hbo s VAL 64 Cb -0.40 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 3hbo s VAL 64 CO 0.33 -0.00 0.50 -0.70 0.00 0.00 0.00 175.10 175.23 3hbo s GLU 65 N 2.25 4.21 -0.21 2.72 2.12 -0.26 -1.10 118.70 128.43 3hbo s GLU 65 Ca 0.04 0.55 0.15 0.00 0.36 0.00 0.00 54.97 56.07 3hbo s GLU 65 Cb -0.14 -3.33 0.46 0.00 0.26 0.00 0.00 34.13 31.38 3hbo s GLU 65 CO -0.07 0.41 1.17 -0.89 -0.54 0.00 0.00 175.26 175.34 3hbo n ILE 66 N 2.72 1.68 0.00 -3.70 5.41 -1.26 -0.74 119.36 123.47 3hbo n ILE 66 Ca -0.09 -3.08 0.00 0.00 1.00 0.00 0.00 62.75 60.58 3hbo n ILE 66 Cb 0.52 0.08 0.00 0.00 -0.71 0.00 0.00 39.64 39.53 3hbo n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hbo n GLY 68 N -0.56 0.00 3.62 7.39 0.00 -1.26 -4.74 105.19 109.63 3hbo n GLY 68 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3hbo n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hbo s HIS 69 N 0.00 3.26 0.15 1.61 4.02 -1.26 -5.08 115.29 117.99 3hbo s HIS 69 Ca 0.00 0.09 -0.30 0.00 1.02 0.00 0.00 55.06 55.87 3hbo s HIS 69 Cb 0.00 -2.24 -0.07 0.00 -1.02 0.00 0.00 32.58 29.25 3hbo s HIS 69 CO 0.00 -0.01 1.08 0.15 1.02 0.00 0.00 174.74 176.98 3hbo s LYS 70 N 1.10 4.60 0.17 1.40 1.02 -1.26 -4.35 119.74 122.42 3hbo s LYS 70 Ca 0.06 1.67 0.01 0.00 0.02 0.00 0.00 55.97 57.73 3hbo s LYS 70 Cb -0.14 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3hbo s LYS 70 CO 0.04 0.07 0.03 0.00 -0.92 0.00 0.00 175.35 174.57 3hbo s ALA 71 N -0.08 1.25 -0.24 5.17 0.00 -0.26 -4.81 121.76 122.79 3hbo s ALA 71 Ca 0.50 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 3hbo s ALA 71 Cb -0.28 0.70 0.08 0.00 0.00 0.00 0.00 23.12 23.62 3hbo s ALA 71 CO 0.33 -0.38 0.55 -1.50 0.00 0.00 0.00 175.76 174.76 3hbo s ILE 72 N -3.78 -0.30 0.00 0.00 2.07 -1.26 -0.80 121.20 117.12 3hbo s ILE 72 Ca 0.25 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 3hbo s ILE 72 Cb 0.07 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.83 3hbo s ILE 72 CO 0.04 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 3hbo n GLY 73 N 4.70 0.53 3.73 1.50 0.00 -0.78 -4.84 105.19 110.03 3hbo n GLY 73 Ca -0.18 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 3hbo n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hbo s THR 74 N -2.03 4.48 -0.07 2.61 2.01 -1.26 -0.63 115.64 120.75 3hbo s THR 74 Ca 0.00 2.05 0.02 0.00 0.31 0.00 0.00 61.69 64.07 3hbo s THR 74 Cb 0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.22 3hbo s THR 74 CO 0.00 0.31 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.42 3hbo s VAL 75 N 0.04 1.15 -0.18 3.82 1.01 -0.16 -4.48 120.40 121.58 3hbo s VAL 75 Ca 0.47 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 3hbo s VAL 75 Cb -0.24 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 3hbo s VAL 75 CO 0.30 0.36 0.10 -0.76 0.00 0.00 0.00 175.10 175.10 3hbo s LEU 76 N 0.68 4.08 -0.12 3.92 1.43 0.12 -0.89 118.68 127.89 3hbo s LEU 76 Ca -0.14 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 3hbo s LEU 76 Cb -0.16 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 3hbo s LEU 76 CO 0.04 0.21 -0.19 -0.69 0.23 0.00 0.00 176.35 175.95 3hbo s VAL 77 N 0.16 2.48 -0.07 -1.59 1.01 0.13 -0.62 120.40 121.90 3hbo s VAL 77 Ca 0.07 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 3hbo s VAL 77 Cb -0.12 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.34 3hbo s VAL 77 CO -0.00 0.54 1.12 0.61 0.00 0.00 0.00 175.10 177.36 3hbo n GLY 78 N 3.68 0.16 2.75 4.51 0.00 -1.12 0.37 105.19 115.54 3hbo n GLY 78 Ca -0.19 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 3hbo n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hbo n PRO 79 N -0.81 2.67 -2.92 1.61 -0.04 -1.26 -4.10 135.00 130.15 3hbo n PRO 79 Ca 0.05 -2.40 -0.39 0.00 -0.04 0.00 0.00 63.50 60.73 3hbo n PRO 79 Cb 0.48 -3.16 -0.06 0.00 -0.04 0.00 0.00 33.50 30.72 3hbo n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3hbo s THR 80 N 3.43 4.31 0.44 0.52 -1.32 -1.26 -4.97 115.64 116.80 3hbo s THR 80 Ca 0.51 1.73 0.39 0.00 -1.21 0.00 0.00 61.69 63.11 3hbo s THR 80 Cb 0.14 -4.11 0.41 0.00 -1.51 0.00 0.00 72.50 67.43 3hbo s THR 80 CO -0.05 0.40 2.20 1.55 -2.21 0.00 0.00 174.62 176.52 3hbo h PRO 81 N 3.94 0.00 -2.78 7.08 0.13 -1.99 -3.44 132.00 134.94 3hbo h PRO 81 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 3hbo h PRO 81 Cb 1.20 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.07 3hbo h PRO 81 CO 0.66 0.01 -0.32 0.08 -0.23 0.00 0.00 178.00 178.20 3hbo s VAL 82 N -4.00 -0.02 0.15 1.56 1.01 -1.26 -5.13 120.40 112.71 3hbo s VAL 82 Ca -0.03 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3hbo s VAL 82 Cb 0.12 -0.54 -0.08 0.00 0.00 0.00 0.00 36.38 35.88 3hbo s VAL 82 CO 0.48 0.03 1.29 0.20 0.00 0.00 0.00 175.10 177.10 3hbo s ASN 83 N 0.92 6.94 -0.09 3.32 0.01 -1.26 -4.87 114.94 119.90 3hbo s ASN 83 Ca -0.06 2.29 0.02 0.00 -0.71 0.00 0.00 52.86 54.40 3hbo s ASN 83 Cb -0.06 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.01 3hbo s ASN 83 CO -0.07 -0.52 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.24 3hbo s ILE 84 N 0.50 1.29 -0.35 0.60 1.01 0.89 -0.26 121.20 124.87 3hbo s ILE 84 Ca 0.58 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 60.57 3hbo s ILE 84 Cb -0.35 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 3hbo s ILE 84 CO 0.34 0.40 0.30 -0.63 0.00 0.00 0.00 174.94 175.36 3hbo s ILE 85 N 1.00 5.23 0.36 2.92 -1.09 0.35 -0.93 121.20 129.04 3hbo s ILE 85 Ca -0.07 -0.18 0.06 0.00 -2.23 0.00 0.00 60.65 58.23 3hbo s ILE 85 Cb -0.15 -3.80 0.06 0.00 -1.58 0.00 0.00 42.46 36.99 3hbo s ILE 85 CO -0.01 -0.10 0.49 0.61 -1.23 0.00 0.00 174.94 174.70 3hbo n GLY 86 N 5.06 1.99 0.27 6.18 0.00 -1.20 -1.00 105.19 116.48 3hbo n GLY 86 Ca -0.11 -2.19 0.11 0.00 0.00 0.00 0.00 46.02 43.83 3hbo n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hbo h ARG 87 N 0.00 0.00 -0.61 1.61 3.08 -0.85 -1.55 114.38 116.06 3hbo h ARG 87 Ca -0.17 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.96 3hbo h ARG 87 Cb 0.78 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 3hbo h ARG 87 CO 0.25 0.05 0.41 -2.95 -1.07 0.00 0.00 179.97 176.65 3hbo h ASN 88 N 0.00 0.43 0.00 7.04 -1.07 -1.77 -1.98 115.58 118.24 3hbo h ASN 88 Ca -0.00 0.01 -0.32 0.00 0.07 0.00 0.00 56.30 56.06 3hbo h ASN 88 Cb 0.11 -0.08 -0.06 0.00 -2.07 0.00 0.00 38.32 36.21 3hbo h ASN 88 CO 0.01 0.27 -2.29 0.18 0.07 0.00 0.00 177.43 175.67 3hbo n LEU 89 N -4.48 0.00 -0.04 6.14 4.77 -0.85 -4.29 117.00 118.25 3hbo n LEU 89 Ca 0.10 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3hbo n LEU 89 Cb 0.33 0.43 0.29 0.00 -2.33 0.00 0.00 43.42 42.14 3hbo n LEU 89 CO 0.34 0.43 0.99 -0.07 -1.33 0.00 0.00 177.39 177.76 3hbo h LEU 90 N 0.00 0.57 -1.17 2.23 3.38 -1.11 -1.42 115.31 117.78 3hbo h LEU 90 Ca -0.48 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 3hbo h LEU 90 Cb 2.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 3hbo h LEU 90 CO 0.03 0.58 0.12 0.71 0.09 0.00 0.00 178.44 179.96 3hbo h THR 91 N 0.61 1.20 0.00 0.22 1.35 -1.57 -2.79 112.91 111.92 3hbo h THR 91 Ca 0.14 -0.71 -0.05 0.00 -0.55 0.00 0.00 66.41 65.23 3hbo h THR 91 Cb 0.24 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 3hbo h THR 91 CO -0.00 0.26 -0.26 1.56 -0.25 0.00 0.00 175.52 176.84 3hbo h GLN 92 N 0.68 0.00 -0.37 4.72 4.20 -1.45 -2.71 115.11 120.18 3hbo h GLN 92 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3hbo h GLN 92 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3hbo h GLN 92 CO -0.00 0.26 0.00 0.44 -0.67 0.00 0.00 178.83 178.85 3hbo n ILE 93 N -3.58 0.48 -1.25 2.54 -5.35 -1.07 -4.97 119.36 106.17 3hbo n ILE 93 Ca -0.01 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 3hbo n ILE 93 Cb 0.40 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 3hbo n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hbo n GLY 94 N 1.38 -3.44 0.00 3.28 0.00 -1.03 -5.10 105.19 100.28 3hbo n GLY 94 Ca 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3hbo n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hbo n THR 96 N 0.36 0.00 -3.54 2.61 -2.24 -1.26 -5.04 114.28 105.17 3hbo n THR 96 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 3hbo n THR 96 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3hbo n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hbo s LEU 97 N 0.00 4.44 -0.03 3.22 1.43 -1.26 -5.10 118.68 121.38 3hbo s LEU 97 Ca 0.00 0.86 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 3hbo s LEU 97 Cb 0.00 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.73 3hbo s LEU 97 CO 0.00 0.30 -0.01 0.20 0.23 0.00 0.00 176.35 177.07 3hbo s ASN 98 N -0.86 0.45 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.40 3hbo s ASN 98 Ca 0.22 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.47 3hbo s ASN 98 Cb -0.16 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 40.85 3hbo s ASN 98 CO 0.11 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.78