#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibu h GLU 2 N 0.00 0.01 -0.43 4.33 4.22 -2.06 0.41 114.58 121.06 1ibu h GLU 2 Ca 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1ibu h GLU 2 Cb 0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ibu h GLU 2 CO 0.00 0.01 0.21 1.25 -2.18 0.00 0.00 179.01 178.30 1ibu h LEU 3 N 0.02 0.56 -0.73 1.64 5.85 -2.05 -1.29 115.31 119.31 1ibu h LEU 3 Ca 0.87 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 59.56 1ibu h LEU 3 Cb 2.64 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 43.46 1ibu h LEU 3 CO -0.55 0.52 0.37 0.44 -0.34 0.00 0.00 178.44 178.88 1ibu h ASP 4 N 0.55 0.49 -0.80 1.25 3.32 -0.59 0.38 116.42 121.02 1ibu h ASP 4 Ca 0.15 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1ibu h ASP 4 Cb 0.11 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1ibu h ASP 4 CO -0.02 0.27 0.50 0.00 -1.72 0.00 0.00 179.24 178.27 1ibu h ALA 5 N 1.44 1.02 0.00 3.45 0.00 -1.19 0.73 119.26 124.70 1ibu h ALA 5 Ca 0.36 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1ibu h ALA 5 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ibu h ALA 5 CO -0.27 0.47 -0.29 0.87 0.00 0.00 0.00 179.25 180.03 1ibu h LYS 6 N 1.09 0.00 0.10 0.00 1.57 -0.35 -3.24 116.57 115.74 1ibu h LYS 6 Ca 0.29 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.80 1ibu h LYS 6 Cb -0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.25 1ibu h LYS 6 CO -0.06 0.29 -1.16 1.25 -0.57 0.00 0.00 179.45 179.20 1ibu h LEU 7 N 0.00 0.56 -1.13 2.94 5.85 0.21 -3.31 115.31 120.43 1ibu h LEU 7 Ca -0.00 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.11 1ibu h LEU 7 Cb 1.04 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1ibu h LEU 7 CO 0.04 1.37 -0.15 0.78 -0.34 0.00 0.00 178.44 180.14 1ibu h ASN 8 N 0.16 0.42 0.47 1.25 -0.26 0.35 -1.14 115.58 116.84 1ibu h ASN 8 Ca -0.13 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 1ibu h ASN 8 Cb 1.85 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 38.99 1ibu h ASN 8 CO 0.20 0.60 0.00 0.29 -1.06 0.00 0.00 177.43 177.46 1ibu n LYS 9 N -4.20 0.00 0.07 0.81 5.02 -1.25 0.56 118.16 119.18 1ibu n LYS 9 Ca 0.00 0.27 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 1ibu n LYS 9 Cb 0.33 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.51 0.73 0.00 -0.35 4.77 -0.45 -4.94 117.00 115.25 1ibu n LEU 10 Ca 0.03 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ibu n LEU 10 Cb 0.16 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1ibu n LEU 10 CO 0.13 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1ibu n GLY 11 N 1.27 1.08 3.63 -0.72 0.00 0.19 -5.09 105.19 105.55 1ibu n GLY 11 Ca 0.01 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 4.88 0.48 1.61 1.01 -1.09 -4.99 120.40 120.30 1ibu s VAL 12 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1ibu s VAL 12 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1ibu s VAL 12 CO 0.00 0.43 0.20 1.51 0.00 0.00 0.00 175.10 177.24 1ibu s ASP 13 N 0.61 4.40 -0.28 3.32 1.47 -1.26 -3.30 116.67 121.63 1ibu s ASP 13 Ca 0.04 -1.29 0.21 0.00 1.18 0.00 0.00 52.55 52.70 1ibu s ASP 13 Cb -0.13 0.06 0.49 0.00 -0.34 0.00 0.00 42.92 43.00 1ibu s ASP 13 CO 0.01 -0.80 1.07 0.54 0.68 0.00 0.00 175.17 176.67 1ibu n ARG 14 N -1.40 1.54 -3.17 2.11 1.74 -1.26 -4.16 116.66 112.06 1ibu n ARG 14 Ca -0.06 -3.38 -0.36 0.00 -0.77 0.00 0.00 57.85 53.28 1ibu n ARG 14 Cb 0.65 -1.45 -0.06 0.00 -1.02 0.00 0.00 32.46 30.58 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 -3.51 4.64 -0.40 0.55 1.01 -1.26 -4.73 121.20 117.50 1ibu s ILE 15 Ca 0.27 1.17 0.05 0.00 0.00 0.00 0.00 60.65 62.13 1ibu s ILE 15 Cb 0.37 -3.83 0.17 0.00 0.01 0.00 0.00 42.46 39.18 1ibu s ILE 15 CO -0.02 0.22 0.49 0.00 0.00 0.00 0.00 174.94 175.63 1ibu s ALA 16 N -1.51 -1.09 0.01 9.38 0.00 -1.26 -1.27 121.76 126.03 1ibu s ALA 16 Ca 0.42 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.78 1ibu s ALA 16 Cb -0.16 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1ibu s ALA 16 CO 0.20 -2.17 -0.16 0.42 0.00 0.00 0.00 175.76 174.05 1ibu s ILE 17 N 1.40 2.92 0.03 0.00 -1.09 -0.52 -4.93 121.20 119.01 1ibu s ILE 17 Ca 0.19 -1.03 0.03 0.00 -2.23 0.00 0.00 60.65 57.61 1ibu s ILE 17 Cb -0.09 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 1ibu s ILE 17 CO -0.05 0.41 -0.02 -0.55 -1.23 0.00 0.00 174.94 173.50 1ibu s SER 18 N -1.25 4.94 -0.37 3.58 0.15 -1.26 -1.27 113.70 118.22 1ibu s SER 18 Ca 0.14 -0.10 -0.00 0.00 0.70 0.00 0.00 55.95 56.69 1ibu s SER 18 Cb -0.11 -1.22 0.30 0.00 -1.71 0.00 0.00 66.02 63.29 1ibu s SER 18 CO 0.04 0.25 1.92 -0.81 1.20 0.00 0.00 173.24 175.84 1ibu n PRO 19 N 1.22 1.95 -4.41 5.44 -0.04 -1.26 -4.94 135.00 132.96 1ibu n PRO 19 Ca -0.14 -1.93 -0.27 0.00 -0.04 0.00 0.00 63.50 61.12 1ibu n PRO 19 Cb 0.52 -1.76 -0.12 0.00 -0.04 0.00 0.00 33.50 32.11 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 -2.22 2.33 -0.11 0.54 2.02 -1.26 -5.07 117.35 113.58 1ibu s TYR 20 Ca 0.38 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.43 1ibu s TYR 20 Cb 0.30 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.67 1ibu s TYR 20 CO 0.01 0.48 1.23 0.21 -1.57 0.00 0.00 175.55 175.92 1ibu s LYS 21 N -2.62 4.29 0.00 -0.62 2.47 -1.26 -4.21 119.74 117.79 1ibu s LYS 21 Ca 0.20 1.67 0.00 0.00 -1.56 0.00 0.00 55.97 56.28 1ibu s LYS 21 Cb -0.08 -3.66 0.00 0.00 -1.46 0.00 0.00 37.83 32.62 1ibu s LYS 21 CO 0.10 -0.58 0.00 0.94 0.16 0.00 0.00 175.35 175.97 1ibu n GLN 22 N 5.93 0.00 -2.08 4.03 7.27 -1.26 -4.94 117.38 126.33 1ibu n GLN 22 Ca 0.12 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.80 1ibu n GLN 22 Cb 0.45 -0.07 -0.01 0.00 2.41 0.00 0.00 30.24 33.03 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 2.90 0.48 3.69 0.51 -1.26 -5.06 118.94 120.20 1ibu s TRP 23 Ca 0.00 1.42 -0.04 0.00 -2.12 0.00 0.00 56.10 55.36 1ibu s TRP 23 Cb 0.00 -3.66 -0.02 0.00 -0.81 0.00 0.00 33.47 28.97 1ibu s TRP 23 CO 0.00 -1.98 0.76 0.95 -0.51 0.00 0.00 176.95 176.17 1ibu s THR 24 N -1.23 4.55 0.35 2.01 -4.23 -1.26 -4.60 115.64 111.24 1ibu s THR 24 Ca 0.54 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 61.05 1ibu s THR 24 Cb -0.38 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 69.72 1ibu s THR 24 CO 0.50 -0.66 0.41 0.00 -0.54 0.00 0.00 174.62 174.33 1ibu s ARG 25 N -4.71 1.91 0.24 3.99 1.70 -1.26 -5.09 118.95 115.73 1ibu s ARG 25 Ca 0.48 -1.90 0.06 0.00 -0.47 0.00 0.00 55.73 53.89 1ibu s ARG 25 Cb -0.10 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 1ibu s ARG 25 CO 0.43 -0.77 0.29 0.20 -1.08 0.00 0.00 175.30 174.37 1ibu s GLY 26 N -3.31 1.32 0.09 3.88 0.00 -1.26 -5.02 107.32 103.02 1ibu s GLY 26 Ca 0.35 -1.30 -0.34 0.00 0.00 0.00 0.00 44.72 43.43 1ibu s GLY 26 CO 0.24 -1.32 1.61 2.98 0.00 0.00 0.00 173.10 176.61 1ibu n TYR 27 N -1.26 2.18 0.00 1.90 9.36 -1.26 -1.26 117.16 126.82 1ibu n TYR 27 Ca -0.08 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.40 1ibu n TYR 27 Cb 0.57 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 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 3.98 0.00 -1.87 2.98 2.81 -1.26 -5.04 117.12 118.72 1ibu n MET 28 Ca 0.18 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.66 1ibu n MET 28 Cb 0.27 -0.53 -0.01 0.00 -0.71 0.00 0.00 33.22 32.24 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 -0.52 4.17 0.54 0.03 2.02 -0.39 -4.87 118.70 119.69 1ibu s GLU 29 Ca 0.00 2.48 -0.22 0.00 0.02 0.00 0.00 54.97 57.25 1ibu s GLU 29 Cb 0.00 -3.03 -0.05 0.00 0.10 0.00 0.00 34.13 31.15 1ibu s GLU 29 CO 0.00 -0.51 1.36 -1.25 0.02 0.00 0.00 175.26 174.88 1ibu s PRO 30 N -1.09 3.18 0.00 0.39 0.04 -1.26 -2.90 135.00 133.37 1ibu s PRO 30 Ca 0.58 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1ibu s PRO 30 Cb -0.45 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1ibu s PRO 30 CO 0.52 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1ibu n GLY 31 N 0.71 0.67 3.75 0.56 0.00 -1.26 -5.04 105.19 104.58 1ibu n GLY 31 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.79 7.43 -0.18 1.61 -0.87 -1.14 -4.42 114.94 114.58 1ibu s ASN 32 Ca 0.00 2.06 -0.17 0.00 -1.57 0.00 0.00 52.86 53.18 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 -0.05 0.45 -0.63 -2.57 0.00 0.00 177.10 174.30 1ibu s ILE 33 N -0.81 5.17 0.00 0.60 1.01 -0.40 -4.94 121.20 121.84 1ibu s ILE 33 Ca 0.45 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.93 1ibu s ILE 33 Cb -0.28 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1ibu s ILE 33 CO 0.35 0.25 0.00 0.61 0.00 0.00 0.00 174.94 176.15 1ibu n GLY 34 N 3.74 0.99 0.94 6.18 0.00 -1.26 -1.44 105.19 114.34 1ibu n GLY 34 Ca -0.07 -2.27 0.03 0.00 0.00 0.00 0.00 46.02 43.71 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 0.81 -1.55 1.61 3.02 -1.09 -4.94 115.26 113.12 1ibu n ASN 35 Ca 0.00 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.28 1ibu n ASN 35 Cb 0.00 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 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 0.02 4.88 3.33 7.41 0.00 -0.39 -4.83 105.19 115.59 1ibu n GLY 36 Ca 0.06 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.69 0.49 -0.05 1.61 -0.85 -1.26 -4.62 117.35 111.98 1ibu s TYR 37 Ca 0.00 -0.85 0.03 0.00 -0.52 0.00 0.00 57.07 55.73 1ibu s TYR 37 Cb 0.00 -0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.23 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 -3.99 1.28 0.46 -3.49 1.01 -1.26 -4.91 120.40 109.50 1ibu s VAL 38 Ca 0.20 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.58 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 0.02 0.38 0.02 1.07 0.00 0.00 0.00 175.10 176.58 1ibu n THR 39 N 3.46 0.00 -3.55 3.92 5.66 -1.26 -5.04 114.28 117.48 1ibu n THR 39 Ca -0.20 -2.23 -0.03 0.00 -3.05 0.00 0.00 64.05 58.54 1ibu n THR 39 Cb 0.53 0.49 0.01 0.00 -1.55 0.00 0.00 70.33 69.81 1ibu n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ibu n GLY 40 N -0.64 1.19 3.05 1.09 0.00 -1.26 -5.17 105.19 103.45 1ibu n GLY 40 Ca -0.18 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 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 1.70 -0.03 0.99 1.02 -1.26 -5.11 118.68 115.98 1ibu s LEU 41 Ca 0.10 -0.38 -0.00 0.00 0.02 0.00 0.00 54.13 53.86 1ibu s LEU 41 Cb -0.02 -1.01 0.03 0.00 0.02 0.00 0.00 46.19 45.21 1ibu s LEU 41 CO 0.04 0.03 0.02 -0.75 0.02 0.00 0.00 176.35 175.71 1ibu s LYS 42 N 0.84 0.14 -0.07 1.70 2.36 -1.26 -5.10 119.74 118.36 1ibu s LYS 42 Ca -0.10 0.17 -0.03 0.00 -2.55 0.00 0.00 55.97 53.46 1ibu s LYS 42 Cb -0.15 -0.45 0.04 0.00 -1.05 0.00 0.00 37.83 36.21 1ibu s LYS 42 CO 0.01 -0.20 0.13 0.14 1.55 0.00 0.00 175.35 176.99 1ibu s VAL 43 N 1.33 -0.15 0.08 4.02 -7.23 -1.26 -5.15 120.40 112.05 1ibu s VAL 43 Ca -0.06 0.29 -0.19 0.00 -1.81 0.00 0.00 61.98 60.21 1ibu s VAL 43 Cb -0.13 -0.24 0.04 0.00 0.56 0.00 0.00 36.38 36.62 1ibu s VAL 43 CO -0.03 0.12 0.46 -1.81 -0.31 0.00 0.00 175.10 173.53 1ibu s ASP 44 N 1.74 -0.34 0.13 4.85 -0.00 -1.26 -5.05 116.67 116.74 1ibu s ASP 44 Ca -0.02 -0.04 -0.10 0.00 -0.00 0.00 0.00 52.55 52.39 1ibu s ASP 44 Cb -0.12 0.48 -0.00 0.00 -0.00 0.00 0.00 42.92 43.28 1ibu s ASP 44 CO -0.05 -0.77 0.26 0.00 -0.00 0.00 0.00 175.17 174.61 1ibu s ALA 45 N -2.98 -0.20 -0.06 5.23 0.00 -1.26 -4.91 121.76 117.58 1ibu s ALA 45 Ca -0.02 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 1ibu s ALA 45 Cb 0.00 0.68 0.09 0.00 0.00 0.00 0.00 23.12 23.89 1ibu s ALA 45 CO -0.06 -0.59 0.79 0.20 0.00 0.00 0.00 175.76 176.10 1ibu s GLY 46 N -2.90 -0.48 -0.31 0.00 0.00 -1.26 -4.97 107.32 97.39 1ibu s GLY 46 Ca 0.10 1.41 -0.01 0.00 0.00 0.00 0.00 44.72 46.23 1ibu s GLY 46 CO -0.06 0.83 1.95 3.33 0.00 0.00 0.00 173.10 179.15 1ibu n VAL 47 N 0.60 2.71 -0.12 1.40 0.24 -1.26 -4.94 118.33 116.96 1ibu n VAL 47 Ca -0.15 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 60.56 1ibu n VAL 47 Cb 0.59 -1.26 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 1ibu n VAL 47 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ibu n ARG 64 N 0.24 0.00 0.00 7.34 1.74 -1.26 -5.28 116.66 119.44 1ibu n ARG 64 Ca 0.31 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1ibu n ARG 64 Cb 0.64 -0.53 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 1ibu n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ibu n ALA 65 N -1.33 0.00 -0.27 7.54 0.00 -1.26 -4.38 120.51 120.81 1ibu n ALA 65 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1ibu n ALA 65 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.94 -0.24 0.00 0.00 1.02 -1.26 0.02 120.64 118.24 1ibu n GLU 66 Ca 0.00 1.02 0.03 0.00 -0.02 0.00 0.00 57.16 58.19 1ibu n GLU 66 Cb 0.00 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.07 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 -4.90 0.62 -3.69 2.62 -2.24 -1.26 -3.96 114.28 101.48 1ibu n THR 67 Ca 0.04 0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.67 1ibu n THR 67 Cb 0.21 -1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 67.34 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 -2.38 3.57 3.56 -0.78 2.47 0.10 -4.78 119.74 121.50 1ibu s LYS 68 Ca 0.07 -0.20 0.00 0.00 -1.56 0.00 0.00 55.97 54.28 1ibu s LYS 68 Cb 0.04 -2.85 0.00 0.00 -1.46 0.00 0.00 37.83 33.56 1ibu s LYS 68 CO 0.08 0.45 0.00 0.09 0.16 0.00 0.00 175.35 176.13 1ibu n ASN 69 N -0.19 0.00 -4.65 1.43 4.13 -1.26 -4.42 115.26 110.31 1ibu n ASN 69 Ca -0.03 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.80 1ibu n ASN 69 Cb 0.52 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.74 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 3.64 -0.21 5.41 0.00 -1.26 -5.01 121.76 123.33 1ibu s ALA 70 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 1ibu s ALA 70 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1ibu s ALA 70 CO 0.00 -1.08 0.95 -0.47 0.00 0.00 0.00 175.76 175.16 1ibu s TYR 71 N 3.14 3.36 -0.45 0.00 5.04 -1.26 -4.74 117.35 122.45 1ibu s TYR 71 Ca 0.41 1.37 0.06 0.00 -2.44 0.00 0.00 57.07 56.47 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 0.08 -0.40 1.06 0.44 -1.34 0.00 0.00 175.55 175.40 1ibu n ILE 72 N 5.13 2.29 -2.38 3.14 -5.35 -1.25 -5.06 119.36 115.89 1ibu n ILE 72 Ca 0.09 -4.85 -0.29 0.00 -0.27 0.00 0.00 62.75 57.43 1ibu n ILE 72 Cb 0.47 -1.08 -0.00 0.00 -1.74 0.00 0.00 39.64 37.29 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 1.66 -1.50 3.28 0.00 -1.26 -3.94 107.32 102.09 1ibu s GLY 73 Ca 0.46 -0.26 -0.05 0.00 0.00 0.00 0.00 44.72 44.86 1ibu s GLY 73 CO -0.16 -0.05 0.54 -1.06 0.00 0.00 0.00 173.10 172.37 1ibu n GLN 74 N -2.25 -4.37 -3.97 2.90 6.02 -1.26 -4.98 117.38 109.47 1ibu n GLN 74 Ca 0.03 0.82 -0.31 0.00 -0.01 0.00 0.00 57.00 57.53 1ibu n GLN 74 Cb 0.54 -5.64 -0.05 0.00 1.02 0.00 0.00 30.24 26.12 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 -3.11 5.05 -0.49 5.09 1.09 -1.25 -5.07 121.20 122.50 1ibu s ILE 75 Ca 0.30 -0.54 -0.19 0.00 -1.10 0.00 0.00 60.65 59.12 1ibu s ILE 75 Cb -0.14 -3.45 0.05 0.00 -1.06 0.00 0.00 42.46 37.86 1ibu s ILE 75 CO 0.37 0.13 0.61 0.20 -0.10 0.00 0.00 174.94 176.15 1ibu s ASN 76 N -2.46 6.23 0.31 3.58 -0.87 -1.26 -5.04 114.94 115.42 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 -0.13 -2.28 -0.10 0.00 -0.02 0.00 0.00 41.25 38.72 1ibu s ASN 76 CO 0.26 -0.86 0.95 -0.32 -2.57 0.00 0.00 177.10 174.56 1ibu s MET 77 N 2.57 4.62 -0.14 -0.60 1.75 -1.26 -5.05 119.30 121.18 1ibu s MET 77 Ca 0.15 1.38 0.00 0.00 -1.25 0.00 0.00 55.69 55.97 1ibu s MET 77 Cb -0.19 -2.89 0.02 0.00 2.84 0.00 0.00 34.83 34.62 1ibu s MET 77 CO 0.12 0.30 -0.13 0.99 -0.65 0.00 0.00 175.02 175.66 1ibu s THR 78 N -1.53 1.47 0.21 10.11 2.01 -1.26 -5.12 115.64 121.53 1ibu s THR 78 Ca 0.49 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 1ibu s THR 78 Cb -0.20 -1.40 -0.08 0.00 0.01 0.00 0.00 72.50 70.82 1ibu s THR 78 CO 0.26 0.43 0.91 -0.89 -0.69 0.00 0.00 174.62 174.63 1ibu s THR 79 N 1.53 4.17 -0.03 -0.82 2.01 -1.26 -5.05 115.64 116.19 1ibu s THR 79 Ca 0.05 2.00 0.05 0.00 0.31 0.00 0.00 61.69 64.10 1ibu s THR 79 Cb -0.13 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 1ibu s THR 79 CO -0.10 0.49 -0.18 0.00 -0.69 0.00 0.00 174.62 174.14 1ibu s ALA 80 N -1.07 1.55 0.00 7.40 0.00 -1.26 -5.36 121.76 123.03 1ibu s ALA 80 Ca 0.40 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1ibu s ALA 80 Cb -0.25 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1ibu s ALA 80 CO 0.31 0.32 0.18 -1.13 0.00 0.00 0.00 175.76 175.44