#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibu n GLU 2 N 0.00 -0.05 -0.14 4.33 0.00 -1.26 0.60 120.64 124.13 1ibu n GLU 2 Ca 0.00 1.26 -0.08 0.00 0.00 0.00 0.00 57.16 58.33 1ibu n GLU 2 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 31.44 29.09 1ibu n GLU 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1ibu h LEU 3 N 0.00 0.53 -0.83 4.31 5.85 -2.05 -0.78 115.31 122.34 1ibu h LEU 3 Ca 0.82 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.56 1ibu h LEU 3 Cb 2.40 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 43.23 1ibu h LEU 3 CO -0.60 0.45 0.48 0.44 -0.34 0.00 0.00 178.44 178.87 1ibu h ASP 4 N 0.56 0.68 -0.71 1.25 3.32 -0.25 0.34 116.42 121.61 1ibu h ASP 4 Ca 0.15 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1ibu h ASP 4 Cb 0.03 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1ibu h ASP 4 CO -0.03 0.39 0.37 0.00 -1.72 0.00 0.00 179.24 178.25 1ibu h ALA 5 N 1.46 0.91 0.00 3.45 0.00 -1.09 0.79 119.26 124.77 1ibu h ALA 5 Ca 0.40 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1ibu h ALA 5 Cb 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ibu h ALA 5 CO -0.25 0.45 -0.25 0.87 0.00 0.00 0.00 179.25 180.07 1ibu h LYS 6 N 0.98 0.00 0.11 0.00 1.57 -0.17 -3.23 116.57 115.83 1ibu h LYS 6 Ca 0.25 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.76 1ibu h LYS 6 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1ibu h LYS 6 CO -0.04 0.25 -1.20 1.25 -0.57 0.00 0.00 179.45 179.15 1ibu h LEU 7 N 0.00 0.52 -1.08 2.94 5.85 0.23 -3.31 115.31 120.46 1ibu h LEU 7 Ca -0.00 -0.52 -0.07 0.00 0.84 0.00 0.00 57.88 58.13 1ibu h LEU 7 Cb 0.96 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1ibu h LEU 7 CO 0.03 1.38 -0.15 0.78 -0.34 0.00 0.00 178.44 180.14 1ibu h ASN 8 N 0.13 0.47 0.40 1.25 -0.26 0.47 -1.37 115.58 116.66 1ibu h ASN 8 Ca -0.14 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 1ibu h ASN 8 Cb 1.89 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 39.03 1ibu h ASN 8 CO 0.20 0.64 0.00 0.29 -1.06 0.00 0.00 177.43 177.51 1ibu n LYS 9 N -4.19 0.03 0.08 0.81 5.02 -1.25 0.64 118.16 119.30 1ibu n LYS 9 Ca 0.00 0.27 0.12 0.00 -2.02 0.00 0.00 58.31 56.68 1ibu n LYS 9 Cb 0.33 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.86 1ibu n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ibu n LEU 10 N -1.47 0.75 0.00 -0.35 4.77 -0.54 -4.94 117.00 115.21 1ibu n LEU 10 Ca 0.03 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1ibu n LEU 10 Cb 0.14 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1ibu n LEU 10 CO 0.11 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1ibu n GLY 11 N 1.23 1.10 3.60 -0.72 0.00 0.21 -5.09 105.19 105.52 1ibu n GLY 11 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1ibu n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibu s VAL 12 N -2.00 4.72 0.47 1.61 1.01 -1.05 -4.99 120.40 120.17 1ibu s VAL 12 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1ibu s VAL 12 Cb 0.00 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1ibu s VAL 12 CO 0.00 0.44 0.20 1.51 0.00 0.00 0.00 175.10 177.25 1ibu s ASP 13 N 0.58 4.41 -0.28 3.32 1.47 -1.26 -3.25 116.67 121.66 1ibu s ASP 13 Ca 0.03 -1.27 0.22 0.00 1.18 0.00 0.00 52.55 52.71 1ibu s ASP 13 Cb -0.13 0.02 0.50 0.00 -0.34 0.00 0.00 42.92 42.97 1ibu s ASP 13 CO 0.01 -0.78 1.07 0.54 0.68 0.00 0.00 175.17 176.69 1ibu n ARG 14 N -1.40 1.58 -3.16 2.11 1.74 -1.26 -4.13 116.66 112.14 1ibu n ARG 14 Ca -0.05 -3.44 -0.35 0.00 -0.77 0.00 0.00 57.85 53.23 1ibu n ARG 14 Cb 0.65 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.52 1ibu n ARG 14 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ibu s ILE 15 N -3.63 4.65 -0.39 0.55 1.01 -1.26 -4.73 121.20 117.40 1ibu s ILE 15 Ca 0.27 1.11 0.05 0.00 0.00 0.00 0.00 60.65 62.08 1ibu s ILE 15 Cb 0.36 -3.77 0.17 0.00 0.01 0.00 0.00 42.46 39.22 1ibu s ILE 15 CO -0.02 0.11 0.50 0.00 0.00 0.00 0.00 174.94 175.53 1ibu s ALA 16 N -1.63 -1.37 0.01 9.38 0.00 -1.26 -1.03 121.76 125.85 1ibu s ALA 16 Ca 0.45 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.09 1ibu s ALA 16 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1ibu s ALA 16 CO 0.20 -2.17 -0.19 0.42 0.00 0.00 0.00 175.76 174.02 1ibu s ILE 17 N 1.65 2.68 0.03 0.00 -1.09 -0.41 -4.93 121.20 119.12 1ibu s ILE 17 Ca 0.16 -1.10 0.03 0.00 -2.23 0.00 0.00 60.65 57.51 1ibu s ILE 17 Cb -0.10 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 1ibu s ILE 17 CO -0.05 0.43 -0.02 -0.55 -1.23 0.00 0.00 174.94 173.51 1ibu s SER 18 N -1.16 4.92 -0.39 3.58 0.15 -1.26 -1.20 113.70 118.34 1ibu s SER 18 Ca 0.13 -0.11 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 1ibu s SER 18 Cb -0.10 -1.21 0.30 0.00 -1.71 0.00 0.00 66.02 63.30 1ibu s SER 18 CO 0.03 0.25 1.96 -0.81 1.20 0.00 0.00 173.24 175.87 1ibu n PRO 19 N 1.21 2.00 -4.42 5.44 -0.04 -1.26 -4.94 135.00 132.98 1ibu n PRO 19 Ca -0.14 -1.99 -0.27 0.00 -0.04 0.00 0.00 63.50 61.06 1ibu n PRO 19 Cb 0.52 -1.78 -0.12 0.00 -0.04 0.00 0.00 33.50 32.09 1ibu n PRO 19 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ibu s TYR 20 N -2.30 2.30 -0.09 0.54 2.02 -1.26 -5.07 117.35 113.50 1ibu s TYR 20 Ca 0.39 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.43 1ibu s TYR 20 Cb 0.31 -1.15 -0.03 0.00 -0.40 0.00 0.00 41.96 40.69 1ibu s TYR 20 CO 0.00 0.49 1.23 0.21 -1.57 0.00 0.00 175.55 175.91 1ibu s LYS 21 N -2.62 4.31 0.00 -0.62 2.47 -1.26 -4.19 119.74 117.83 1ibu s LYS 21 Ca 0.20 1.68 0.00 0.00 -1.56 0.00 0.00 55.97 56.29 1ibu s LYS 21 Cb -0.08 -3.62 0.00 0.00 -1.46 0.00 0.00 37.83 32.66 1ibu s LYS 21 CO 0.09 -0.54 0.00 0.94 0.16 0.00 0.00 175.35 176.01 1ibu n GLN 22 N 5.66 0.00 -2.00 4.03 7.27 -1.26 -4.93 117.38 126.15 1ibu n GLN 22 Ca 0.12 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.79 1ibu n GLN 22 Cb 0.46 -0.04 -0.01 0.00 2.41 0.00 0.00 30.24 33.06 1ibu n GLN 22 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1ibu s TRP 23 N 0.00 2.83 0.52 3.69 0.51 -1.26 -5.06 118.94 120.17 1ibu s TRP 23 Ca 0.00 1.34 -0.05 0.00 -2.12 0.00 0.00 56.10 55.27 1ibu s TRP 23 Cb 0.00 -3.78 -0.01 0.00 -0.81 0.00 0.00 33.47 28.86 1ibu s TRP 23 CO 0.00 -2.28 0.81 0.95 -0.51 0.00 0.00 176.95 175.92 1ibu s THR 24 N -1.17 4.32 0.36 2.01 -4.23 -1.26 -4.60 115.64 111.06 1ibu s THR 24 Ca 0.52 0.02 0.01 0.00 -1.18 0.00 0.00 61.69 61.07 1ibu s THR 24 Cb -0.41 -3.66 -0.00 0.00 1.34 0.00 0.00 72.50 69.76 1ibu s THR 24 CO 0.55 -0.63 0.43 0.00 -0.54 0.00 0.00 174.62 174.43 1ibu s ARG 25 N -4.81 1.94 0.24 3.99 1.70 -1.26 -5.09 118.95 115.67 1ibu s ARG 25 Ca 0.50 -1.89 0.06 0.00 -0.47 0.00 0.00 55.73 53.93 1ibu s ARG 25 Cb -0.10 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 1ibu s ARG 25 CO 0.44 -0.79 0.25 0.20 -1.08 0.00 0.00 175.30 174.33 1ibu s GLY 26 N -3.30 1.35 0.13 3.88 0.00 -1.26 -5.02 107.32 103.09 1ibu s GLY 26 Ca 0.34 -1.34 -0.34 0.00 0.00 0.00 0.00 44.72 43.37 1ibu s GLY 26 CO 0.24 -1.38 1.57 2.98 0.00 0.00 0.00 173.10 176.51 1ibu n TYR 27 N -1.23 2.17 0.00 1.90 9.36 -1.26 -1.25 117.16 126.85 1ibu n TYR 27 Ca -0.08 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.44 1ibu n TYR 27 Cb 0.57 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.76 1ibu n TYR 27 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1ibu n MET 28 N 3.53 0.00 -1.90 2.98 2.81 -1.26 -5.04 117.12 118.24 1ibu n MET 28 Ca 0.18 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.65 1ibu n MET 28 Cb 0.27 -0.59 -0.02 0.00 -0.71 0.00 0.00 33.22 32.17 1ibu n MET 28 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1ibu s GLU 29 N -0.46 4.20 0.54 0.03 2.02 -0.38 -4.86 118.70 119.79 1ibu s GLU 29 Ca 0.00 2.44 -0.22 0.00 0.02 0.00 0.00 54.97 57.21 1ibu s GLU 29 Cb 0.00 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 1ibu s GLU 29 CO 0.00 -0.48 1.37 -1.25 0.02 0.00 0.00 175.26 174.92 1ibu s PRO 30 N -1.04 3.15 0.00 0.39 0.04 -1.26 -2.90 135.00 133.38 1ibu s PRO 30 Ca 0.57 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1ibu s PRO 30 Cb -0.45 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1ibu s PRO 30 CO 0.51 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1ibu n GLY 31 N 0.72 0.63 3.75 0.56 0.00 -1.26 -5.04 105.19 104.55 1ibu n GLY 31 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1ibu n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ibu s ASN 32 N -2.76 7.45 -0.19 1.61 -0.87 -1.14 -4.43 114.94 114.60 1ibu s ASN 32 Ca 0.00 2.04 -0.17 0.00 -1.57 0.00 0.00 52.86 53.16 1ibu s ASN 32 Cb 0.00 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.58 1ibu s ASN 32 CO 0.00 -0.03 0.46 -0.63 -2.57 0.00 0.00 177.10 174.33 1ibu s ILE 33 N -0.79 5.16 0.00 0.60 1.01 -0.34 -4.95 121.20 121.89 1ibu s ILE 33 Ca 0.45 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.94 1ibu s ILE 33 Cb -0.28 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1ibu s ILE 33 CO 0.35 0.23 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1ibu n GLY 34 N 3.82 1.05 0.95 6.18 0.00 -1.26 -1.28 105.19 114.64 1ibu n GLY 34 Ca -0.07 -2.25 0.03 0.00 0.00 0.00 0.00 46.02 43.73 1ibu n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ibu n ASN 35 N 0.00 0.75 -1.77 1.61 3.02 -1.08 -4.94 115.26 112.84 1ibu n ASN 35 Ca 0.00 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 1ibu n ASN 35 Cb 0.00 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1ibu n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibu n GLY 36 N 0.06 4.60 3.32 7.41 0.00 -0.20 -4.83 105.19 115.55 1ibu n GLY 36 Ca 0.05 -2.19 -0.10 0.00 0.00 0.00 0.00 46.02 43.79 1ibu n GLY 36 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ibu s TYR 37 N -0.75 0.55 -0.05 1.61 -0.85 -1.26 -4.63 117.35 111.97 1ibu s TYR 37 Ca 0.00 -0.90 0.03 0.00 -0.52 0.00 0.00 57.07 55.68 1ibu s TYR 37 Cb 0.00 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.19 1ibu s TYR 37 CO 0.00 -0.71 -0.15 0.08 -1.52 0.00 0.00 175.55 173.25 1ibu s VAL 38 N -4.01 1.28 0.52 -3.49 1.01 -1.26 -4.91 120.40 109.55 1ibu s VAL 38 Ca 0.21 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1ibu s VAL 38 Cb 0.04 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 1ibu s VAL 38 CO 0.03 0.38 0.01 0.28 0.00 0.00 0.00 175.10 175.80 1ibu s THR 39 N 0.31 0.96 0.13 3.92 -1.32 -1.26 -5.04 115.64 113.35 1ibu s THR 39 Ca -0.09 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.32 1ibu s THR 39 Cb -0.13 -2.03 0.03 0.00 -1.51 0.00 0.00 72.50 68.86 1ibu s THR 39 CO 0.03 0.00 0.36 0.61 -2.21 0.00 0.00 174.62 173.41 1ibu n GLY 40 N -1.29 1.38 3.03 6.08 0.00 -1.26 -5.17 105.19 107.97 1ibu n GLY 40 Ca -0.21 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 1ibu n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibu s LEU 41 N 0.00 1.65 -0.04 0.99 1.02 -1.26 -5.11 118.68 115.93 1ibu s LEU 41 Ca 0.08 -0.39 -0.00 0.00 0.02 0.00 0.00 54.13 53.83 1ibu s LEU 41 Cb -0.02 -1.02 0.03 0.00 0.02 0.00 0.00 46.19 45.20 1ibu s LEU 41 CO 0.04 0.00 -0.00 -0.75 0.02 0.00 0.00 176.35 175.66 1ibu s LYS 42 N 1.01 0.46 -0.06 1.70 2.36 -1.26 -5.10 119.74 118.85 1ibu s LYS 42 Ca -0.07 0.07 -0.02 0.00 -2.55 0.00 0.00 55.97 53.39 1ibu s LYS 42 Cb -0.15 -0.68 0.04 0.00 -1.05 0.00 0.00 37.83 36.00 1ibu s LYS 42 CO -0.01 -0.18 0.12 0.14 1.55 0.00 0.00 175.35 176.97 1ibu s VAL 43 N 1.30 -0.14 0.07 4.02 -7.23 -1.26 -5.15 120.40 112.01 1ibu s VAL 43 Ca -0.06 0.30 -0.18 0.00 -1.81 0.00 0.00 61.98 60.24 1ibu s VAL 43 Cb -0.13 -0.22 0.04 0.00 0.56 0.00 0.00 36.38 36.63 1ibu s VAL 43 CO -0.02 0.13 0.43 -1.81 -0.31 0.00 0.00 175.10 173.51 1ibu s ASP 44 N 1.79 -0.30 0.01 4.85 -0.00 -1.26 -5.05 116.67 116.71 1ibu s ASP 44 Ca -0.02 -0.08 -0.08 0.00 -0.00 0.00 0.00 52.55 52.37 1ibu s ASP 44 Cb -0.12 0.45 0.00 0.00 -0.00 0.00 0.00 42.92 43.26 1ibu s ASP 44 CO -0.05 -0.74 0.17 0.00 -0.00 0.00 0.00 175.17 174.55 1ibu s ALA 45 N -2.92 -0.36 -0.20 5.23 0.00 -1.26 -4.90 121.76 117.35 1ibu s ALA 45 Ca -0.03 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 1ibu s ALA 45 Cb 0.00 0.16 0.10 0.00 0.00 0.00 0.00 23.12 23.38 1ibu s ALA 45 CO -0.06 -0.26 0.85 0.20 0.00 0.00 0.00 175.76 176.50 1ibu s GLY 46 N -1.63 -0.38 0.35 0.00 0.00 -1.26 -4.97 107.32 99.43 1ibu s GLY 46 Ca -0.11 2.05 0.09 0.00 0.00 0.00 0.00 44.72 46.75 1ibu s GLY 46 CO -0.00 1.45 -0.08 -1.34 0.00 0.00 0.00 173.10 173.13 1ibu s VAL 47 N -0.33 2.25 0.30 1.40 -7.23 -1.26 -4.77 120.40 110.75 1ibu s VAL 47 Ca -0.02 -2.17 -0.15 0.00 -1.81 0.00 0.00 61.98 57.83 1ibu s VAL 47 Cb -0.03 -2.69 0.02 0.00 0.56 0.00 0.00 36.38 34.24 1ibu s VAL 47 CO 0.01 -0.18 0.63 -0.13 -0.31 0.00 0.00 175.10 175.12 1ibu s ARG 48 N -3.63 1.81 -0.12 4.82 0.52 -1.26 -5.11 118.95 115.99 1ibu s ARG 48 Ca 0.33 -1.25 0.21 0.00 -0.52 0.00 0.00 55.73 54.49 1ibu s ARG 48 Cb 0.03 0.55 0.45 0.00 0.52 0.00 0.00 34.95 36.50 1ibu s ARG 48 CO 0.17 -0.80 1.17 -0.40 0.02 0.00 0.00 175.30 175.45 1ibu n ASP 49 N -0.73 1.59 0.00 0.23 5.75 -1.26 -5.27 116.55 116.86 1ibu n ASP 49 Ca -0.04 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.20 1ibu n ASP 49 Cb 0.60 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1ibu n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ibu n ARG 64 N -0.16 0.00 0.00 0.11 5.12 -1.26 -5.37 116.66 115.11 1ibu n ARG 64 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1ibu n ARG 64 Cb 0.97 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.27 1ibu n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ibu n ALA 65 N 0.00 0.00 -0.29 7.54 0.00 -1.26 -4.40 120.51 122.09 1ibu n ALA 65 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1ibu n ALA 65 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ibu n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ibu n GLU 66 N -2.02 -0.27 0.00 0.00 1.02 -1.26 0.12 120.64 118.23 1ibu n GLU 66 Ca 0.00 1.09 0.02 0.00 -0.02 0.00 0.00 57.16 58.25 1ibu n GLU 66 Cb 0.00 -1.61 0.11 0.00 -0.02 0.00 0.00 31.44 29.92 1ibu n GLU 66 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ibu n THR 67 N -4.96 0.71 -3.69 2.62 -2.24 -1.26 -4.00 114.28 101.46 1ibu n THR 67 Ca 0.03 0.18 -0.28 0.00 -2.27 0.00 0.00 64.05 61.71 1ibu n THR 67 Cb 0.22 -1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 67.31 1ibu n THR 67 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ibu s LYS 68 N -2.41 3.53 3.21 -0.78 2.47 0.12 -4.77 119.74 121.11 1ibu s LYS 68 Ca 0.05 -0.31 0.00 0.00 -1.56 0.00 0.00 55.97 54.14 1ibu s LYS 68 Cb 0.03 -2.84 0.00 0.00 -1.46 0.00 0.00 37.83 33.56 1ibu s LYS 68 CO 0.06 0.41 0.00 0.09 0.16 0.00 0.00 175.35 176.07 1ibu n ASN 69 N -0.58 0.00 -4.65 1.43 4.13 -1.26 -4.41 115.26 109.92 1ibu n ASN 69 Ca -0.04 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.79 1ibu n ASN 69 Cb 0.54 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.75 1ibu n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ibu s ALA 70 N -1.00 3.63 -0.20 5.41 0.00 -1.26 -5.01 121.76 123.33 1ibu s ALA 70 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.84 1ibu s ALA 70 Cb 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 1ibu s ALA 70 CO 0.00 -1.19 0.96 -0.47 0.00 0.00 0.00 175.76 175.06 1ibu s TYR 71 N 3.39 3.38 -0.44 0.00 5.04 -1.26 -4.74 117.35 122.71 1ibu s TYR 71 Ca 0.46 1.39 0.06 0.00 -2.44 0.00 0.00 57.07 56.55 1ibu s TYR 71 Cb -0.15 -3.17 0.41 0.00 0.35 0.00 0.00 41.96 39.40 1ibu s TYR 71 CO 0.10 -0.38 1.07 0.44 -1.34 0.00 0.00 175.55 175.44 1ibu n ILE 72 N 5.08 2.28 -2.39 3.14 -5.35 -1.26 -5.06 119.36 115.80 1ibu n ILE 72 Ca 0.09 -4.83 -0.28 0.00 -0.27 0.00 0.00 62.75 57.45 1ibu n ILE 72 Cb 0.47 -1.08 0.00 0.00 -1.74 0.00 0.00 39.64 37.30 1ibu n ILE 72 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ibu s GLY 73 N -3.47 1.55 -1.49 3.28 0.00 -1.26 -3.94 107.32 101.99 1ibu s GLY 73 Ca 0.46 -0.39 -0.05 0.00 0.00 0.00 0.00 44.72 44.74 1ibu s GLY 73 CO -0.16 -0.19 0.46 -1.06 0.00 0.00 0.00 173.10 172.15 1ibu n GLN 74 N -2.43 -3.98 -3.96 2.90 6.02 -1.26 -4.98 117.38 109.69 1ibu n GLN 74 Ca 0.02 0.80 -0.30 0.00 -0.01 0.00 0.00 57.00 57.52 1ibu n GLN 74 Cb 0.55 -5.59 -0.04 0.00 1.02 0.00 0.00 30.24 26.18 1ibu n GLN 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ibu s ILE 75 N -3.06 5.13 -0.49 5.09 1.09 -1.25 -5.07 121.20 122.63 1ibu s ILE 75 Ca 0.26 -0.57 -0.19 0.00 -1.10 0.00 0.00 60.65 59.06 1ibu s ILE 75 Cb -0.12 -3.52 0.05 0.00 -1.06 0.00 0.00 42.46 37.80 1ibu s ILE 75 CO 0.33 0.08 0.58 0.20 -0.10 0.00 0.00 174.94 176.03 1ibu s ASN 76 N -2.63 6.22 0.30 3.58 -0.87 -1.26 -5.04 114.94 115.23 1ibu s ASN 76 Ca 0.33 -0.88 -0.27 0.00 -1.57 0.00 0.00 52.86 50.47 1ibu s ASN 76 Cb -0.12 -2.27 -0.10 0.00 -0.02 0.00 0.00 41.25 38.74 1ibu s ASN 76 CO 0.26 -0.81 0.95 -0.32 -2.57 0.00 0.00 177.10 174.61 1ibu s MET 77 N 2.47 4.66 -0.14 -0.60 1.75 -1.26 -5.05 119.30 121.12 1ibu s MET 77 Ca 0.14 1.39 0.00 0.00 -1.25 0.00 0.00 55.69 55.97 1ibu s MET 77 Cb -0.19 -2.95 0.02 0.00 2.84 0.00 0.00 34.83 34.56 1ibu s MET 77 CO 0.12 0.34 -0.12 0.99 -0.65 0.00 0.00 175.02 175.70 1ibu s THR 78 N -1.48 1.44 0.19 10.11 2.01 -1.26 -5.12 115.64 121.54 1ibu s THR 78 Ca 0.47 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 1ibu s THR 78 Cb -0.21 -1.39 -0.08 0.00 0.01 0.00 0.00 72.50 70.83 1ibu s THR 78 CO 0.27 0.41 0.92 -0.89 -0.69 0.00 0.00 174.62 174.63 1ibu s THR 79 N 1.53 4.24 -0.04 -0.82 2.01 -1.26 -5.05 115.64 116.25 1ibu s THR 79 Ca 0.04 2.02 0.05 0.00 0.31 0.00 0.00 61.69 64.11 1ibu s THR 79 Cb -0.13 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 1ibu s THR 79 CO -0.10 0.46 -0.18 0.00 -0.69 0.00 0.00 174.62 174.10 1ibu s ALA 80 N -0.85 1.60 0.00 7.40 0.00 -1.26 -5.36 121.76 123.29 1ibu s ALA 80 Ca 0.42 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1ibu s ALA 80 Cb -0.25 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1ibu s ALA 80 CO 0.30 0.32 0.17 -1.13 0.00 0.00 0.00 175.76 175.42