#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibv h GLU 2 N 0.00 0.00 -0.32 4.33 4.57 -2.07 -0.58 114.58 120.51 1ibv h GLU 2 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1ibv h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1ibv h GLU 2 CO 0.00 0.00 -0.20 1.25 -1.18 0.00 0.00 179.01 178.88 1ibv h LEU 3 N 0.00 0.73 -1.43 1.64 5.85 -2.06 -2.91 115.31 117.13 1ibv h LEU 3 Ca 0.07 -0.43 0.11 0.00 0.84 0.00 0.00 57.88 58.47 1ibv h LEU 3 Cb 0.61 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1ibv h LEU 3 CO -0.00 1.00 0.49 0.44 -0.34 0.00 0.00 178.44 180.03 1ibv h ASP 4 N 0.46 0.56 -0.55 1.25 3.32 -1.53 -0.64 116.42 119.30 1ibv h ASP 4 Ca 0.07 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1ibv h ASP 4 Cb 0.75 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 1ibv h ASP 4 CO 0.06 0.33 0.32 0.00 -1.72 0.00 0.00 179.24 178.22 1ibv h ALA 5 N 1.63 0.72 -0.32 3.45 0.00 -1.51 0.34 119.26 123.57 1ibv h ALA 5 Ca 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 1ibv h ALA 5 Cb 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ibv h ALA 5 CO -0.13 0.01 -0.05 0.87 0.00 0.00 0.00 179.25 179.95 1ibv h LYS 6 N 0.62 0.60 -0.35 0.00 1.57 -1.22 -3.01 116.57 114.77 1ibv h LYS 6 Ca 0.23 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1ibv h LYS 6 Cb 0.07 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1ibv h LYS 6 CO -0.12 0.77 0.14 -0.07 -0.57 0.00 0.00 179.45 179.60 1ibv h LEU 7 N 0.38 0.18 -1.04 2.94 4.07 -0.44 -2.40 115.31 118.99 1ibv h LEU 7 Ca 0.08 0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.18 1ibv h LEU 7 Cb 0.53 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.20 1ibv h LEU 7 CO 0.03 0.14 0.63 0.78 -1.08 0.00 0.00 178.44 178.94 1ibv h ASN 8 N 0.31 0.92 0.29 -0.43 -0.26 0.01 0.13 115.58 116.55 1ibv h ASN 8 Ca 0.16 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 1ibv h ASN 8 Cb 0.11 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1ibv h ASN 8 CO -0.14 0.51 0.00 0.29 -1.06 0.00 0.00 177.43 177.03 1ibv n LYS 9 N -4.58 0.14 0.00 0.81 5.02 -0.91 -0.49 118.16 118.15 1ibv n LYS 9 Ca 0.18 0.53 0.11 0.00 -2.02 0.00 0.00 58.31 57.11 1ibv n LYS 9 Cb 0.32 -1.87 0.06 0.00 -0.02 0.00 0.00 35.03 33.52 1ibv n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ibv n LEU 10 N -2.16 1.01 0.00 -0.35 4.77 0.41 -4.93 117.00 115.75 1ibv n LEU 10 Ca 0.00 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1ibv n LEU 10 Cb 0.11 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ibv n LEU 10 CO 0.13 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1ibv n GLY 11 N 1.47 0.83 3.90 -0.72 0.00 0.35 -5.07 105.19 105.95 1ibv n GLY 11 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1ibv n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibv s VAL 12 N -2.06 5.44 -0.08 1.61 1.01 -0.87 -4.98 120.40 120.48 1ibv s VAL 12 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1ibv s VAL 12 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1ibv s VAL 12 CO 0.00 0.40 0.21 1.51 0.00 0.00 0.00 175.10 177.22 1ibv s ASP 13 N -1.71 -0.22 -0.36 3.32 1.47 -1.26 -2.43 116.67 115.48 1ibv s ASP 13 Ca 0.24 0.42 0.04 0.00 1.18 0.00 0.00 52.55 54.44 1ibv s ASP 13 Cb -0.12 0.41 0.57 0.00 -0.34 0.00 0.00 42.92 43.43 1ibv s ASP 13 CO 0.15 -0.09 1.75 0.54 0.68 0.00 0.00 175.17 178.20 1ibv n ARG 14 N 3.22 2.19 -2.67 2.11 1.74 -1.26 -3.09 116.66 118.90 1ibv n ARG 14 Ca -0.15 -2.51 -0.42 0.00 -0.77 0.00 0.00 57.85 54.00 1ibv n ARG 14 Cb 0.57 -1.99 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 1ibv n ARG 14 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ibv s ILE 15 N -2.72 4.60 -0.39 0.55 1.01 -1.26 -4.40 121.20 118.59 1ibv s ILE 15 Ca 0.47 1.96 0.04 0.00 0.00 0.00 0.00 60.65 63.13 1ibv s ILE 15 Cb 0.40 -4.26 0.16 0.00 0.01 0.00 0.00 42.46 38.77 1ibv s ILE 15 CO 0.09 0.21 0.43 0.00 0.00 0.00 0.00 174.94 175.67 1ibv s ALA 16 N 0.65 -0.58 -0.07 9.38 0.00 -1.25 0.36 121.76 130.25 1ibv s ALA 16 Ca 0.51 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1ibv s ALA 16 Cb -0.23 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1ibv s ALA 16 CO 0.29 -2.15 -0.11 0.42 0.00 0.00 0.00 175.76 174.21 1ibv s ILE 17 N 1.27 3.29 -0.18 0.00 -1.09 -0.15 -4.93 121.20 119.41 1ibv s ILE 17 Ca 0.20 -0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 57.90 1ibv s ILE 17 Cb -0.11 -2.33 -0.05 0.00 -1.58 0.00 0.00 42.46 38.39 1ibv s ILE 17 CO -0.05 0.58 0.12 -0.55 -1.23 0.00 0.00 174.94 173.81 1ibv s SER 18 N -0.57 6.13 0.00 3.58 0.15 -1.26 -0.84 113.70 120.89 1ibv s SER 18 Ca 0.08 0.24 0.11 0.00 0.70 0.00 0.00 55.95 57.08 1ibv s SER 18 Cb -0.12 -2.06 0.48 0.00 -1.71 0.00 0.00 66.02 62.62 1ibv s SER 18 CO 0.02 0.22 1.33 -0.81 1.20 0.00 0.00 173.24 175.19 1ibv n PRO 19 N 3.28 1.31 -2.63 5.44 -0.04 -1.26 -4.91 135.00 136.19 1ibv n PRO 19 Ca -0.17 -0.47 -0.21 0.00 -0.04 0.00 0.00 63.50 62.61 1ibv n PRO 19 Cb 0.52 -1.20 0.04 0.00 -0.04 0.00 0.00 33.50 32.83 1ibv n PRO 19 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ibv s TYR 20 N -1.86 2.71 -0.20 0.54 2.02 -1.26 -5.07 117.35 114.22 1ibv s TYR 20 Ca 0.18 -0.04 -0.17 0.00 -0.37 0.00 0.00 57.07 56.66 1ibv s TYR 20 Cb 0.09 -2.78 -0.04 0.00 -0.40 0.00 0.00 41.96 38.84 1ibv s TYR 20 CO 0.13 -0.97 0.45 0.21 -1.57 0.00 0.00 175.55 173.80 1ibv s LYS 21 N -4.81 4.18 0.00 -0.62 2.20 -1.26 -4.61 119.74 114.82 1ibv s LYS 21 Ca 0.58 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 1ibv s LYS 21 Cb -0.10 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1ibv s LYS 21 CO 0.39 -0.09 0.00 0.94 -0.36 0.00 0.00 175.35 176.23 1ibv n GLN 22 N 4.63 0.00 -2.43 4.03 7.27 -1.26 -4.93 117.38 124.69 1ibv n GLN 22 Ca -0.07 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.67 1ibv n GLN 22 Cb 0.51 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.13 1ibv n GLN 22 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1ibv s TRP 23 N 0.00 3.11 0.51 3.69 0.51 -1.26 -5.08 118.94 120.41 1ibv s TRP 23 Ca 0.00 1.55 0.01 0.00 -2.12 0.00 0.00 56.10 55.54 1ibv s TRP 23 Cb 0.00 -2.98 0.02 0.00 -0.81 0.00 0.00 33.47 29.70 1ibv s TRP 23 CO 0.00 -0.73 0.72 0.95 -0.51 0.00 0.00 176.95 177.39 1ibv s THR 24 N -2.23 3.16 0.19 2.01 -4.23 -1.26 -4.64 115.64 108.64 1ibv s THR 24 Ca 0.64 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1ibv s THR 24 Cb -0.14 -3.17 -0.05 0.00 1.34 0.00 0.00 72.50 70.48 1ibv s THR 24 CO 0.25 -0.12 0.05 -0.13 -0.54 0.00 0.00 174.62 174.14 1ibv s ARG 25 N -4.66 1.18 0.34 3.99 0.52 -1.26 -5.07 118.95 113.98 1ibv s ARG 25 Ca 0.54 -1.60 -0.10 0.00 -0.52 0.00 0.00 55.73 54.06 1ibv s ARG 25 Cb -0.10 -0.12 -0.07 0.00 0.52 0.00 0.00 34.95 35.18 1ibv s ARG 25 CO 0.38 -0.23 0.68 0.20 0.02 0.00 0.00 175.30 176.35 1ibv s GLY 26 N -3.19 2.04 0.31 -3.53 0.00 -1.26 -5.02 107.32 96.67 1ibv s GLY 26 Ca 0.30 -0.26 -0.29 0.00 0.00 0.00 0.00 44.72 44.47 1ibv s GLY 26 CO 0.07 -0.09 1.45 2.98 0.00 0.00 0.00 173.10 177.52 1ibv n TYR 27 N -0.89 2.59 0.00 1.90 9.36 -1.26 -2.03 117.16 126.83 1ibv n TYR 27 Ca 0.01 0.41 0.00 0.00 3.32 0.00 0.00 57.90 61.65 1ibv n TYR 27 Cb 0.54 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 1ibv n TYR 27 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1ibv n MET 28 N 1.32 0.00 -2.08 2.98 2.81 -1.26 -5.04 117.12 115.84 1ibv n MET 28 Ca 0.06 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.55 1ibv n MET 28 Cb 0.36 -0.90 -0.01 0.00 -0.71 0.00 0.00 33.22 31.95 1ibv n MET 28 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1ibv s GLU 29 N -0.35 4.17 0.54 0.03 2.02 -0.86 -4.96 118.70 119.28 1ibv s GLU 29 Ca 0.00 2.19 -0.21 0.00 0.02 0.00 0.00 54.97 56.98 1ibv s GLU 29 Cb 0.00 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 1ibv s GLU 29 CO 0.00 -0.34 1.21 -1.25 0.02 0.00 0.00 175.26 174.90 1ibv s PRO 30 N -2.02 3.29 0.00 0.39 0.04 -1.26 -3.17 135.00 132.26 1ibv s PRO 30 Ca 0.53 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1ibv s PRO 30 Cb -0.39 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1ibv s PRO 30 CO 0.51 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1ibv n GLY 31 N 0.47 3.27 3.76 0.56 0.00 -1.26 -5.03 105.19 106.96 1ibv n GLY 31 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1ibv n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ibv s ASN 32 N -0.65 5.73 -0.22 1.61 0.01 -1.19 -4.52 114.94 115.72 1ibv s ASN 32 Ca 0.00 2.43 -0.06 0.00 -0.71 0.00 0.00 52.86 54.52 1ibv s ASN 32 Cb 0.00 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 1ibv s ASN 32 CO 0.00 -1.23 0.04 -0.63 -1.51 0.00 0.00 177.10 173.77 1ibv s ILE 33 N -1.51 4.21 0.00 0.60 1.01 -0.02 -4.96 121.20 120.54 1ibv s ILE 33 Ca 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.12 1ibv s ILE 33 Cb -0.32 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1ibv s ILE 33 CO 0.37 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.32 1ibv n GLY 34 N 4.39 2.38 0.74 6.18 0.00 -1.26 -0.98 105.19 116.65 1ibv n GLY 34 Ca -0.17 -2.08 0.05 0.00 0.00 0.00 0.00 46.02 43.82 1ibv n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ibv n ASN 35 N 0.00 1.71 -1.43 1.61 3.02 -0.94 -4.86 115.26 114.37 1ibv n ASN 35 Ca 0.00 -3.69 0.00 0.00 -0.03 0.00 0.00 54.58 50.86 1ibv n ASN 35 Cb 0.00 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 1ibv n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibv n GLY 36 N -0.93 4.65 3.37 7.41 0.00 0.16 -4.70 105.19 115.14 1ibv n GLY 36 Ca 0.18 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 1ibv n GLY 36 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ibv s TYR 37 N -0.99 -0.38 0.06 1.61 -0.85 -1.26 -4.48 117.35 111.05 1ibv s TYR 37 Ca 0.00 0.22 0.09 0.00 -0.52 0.00 0.00 57.07 56.86 1ibv s TYR 37 Cb 0.00 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.69 1ibv s TYR 37 CO 0.00 -0.73 -0.25 0.08 -1.52 0.00 0.00 175.55 173.13 1ibv s VAL 38 N -3.32 2.05 0.36 -3.49 1.01 -1.26 -4.95 120.40 110.81 1ibv s VAL 38 Ca -0.00 -1.40 0.05 0.00 0.00 0.00 0.00 61.98 60.62 1ibv s VAL 38 Cb 0.00 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1ibv s VAL 38 CO -0.09 0.29 0.19 0.28 0.00 0.00 0.00 175.10 175.77 1ibv s THR 39 N -0.84 0.34 0.38 3.92 -1.32 -1.26 -5.01 115.64 111.85 1ibv s THR 39 Ca 0.11 -2.00 -0.15 0.00 -1.21 0.00 0.00 61.69 58.44 1ibv s THR 39 Cb -0.10 -2.42 0.05 0.00 -1.51 0.00 0.00 72.50 68.53 1ibv s THR 39 CO 0.02 0.00 0.78 -0.83 -2.21 0.00 0.00 174.62 172.39 1ibv s GLY 40 N -3.49 0.39 -0.18 6.08 0.00 -1.26 -5.16 107.32 103.71 1ibv s GLY 40 Ca 0.31 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 44.26 1ibv s GLY 40 CO 0.19 -0.32 -0.13 1.08 0.00 0.00 0.00 173.10 173.92 1ibv s LEU 41 N -3.07 2.51 -0.06 0.66 1.02 -1.26 -5.10 118.68 113.38 1ibv s LEU 41 Ca 0.16 -0.49 -0.01 0.00 0.02 0.00 0.00 54.13 53.81 1ibv s LEU 41 Cb -0.05 -1.59 0.03 0.00 0.02 0.00 0.00 46.19 44.59 1ibv s LEU 41 CO 0.12 0.04 -0.01 -0.75 0.02 0.00 0.00 176.35 175.77 1ibv s LYS 42 N 1.09 0.58 -0.08 1.70 2.20 -1.26 -5.11 119.74 118.86 1ibv s LYS 42 Ca 0.00 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1ibv s LYS 42 Cb -0.14 -0.84 0.02 0.00 -1.51 0.00 0.00 37.83 35.36 1ibv s LYS 42 CO -0.04 -0.22 -0.05 0.14 -0.36 0.00 0.00 175.35 174.81 1ibv s VAL 43 N 1.58 0.75 0.13 4.02 -7.23 -1.26 -5.14 120.40 113.25 1ibv s VAL 43 Ca -0.01 -0.16 -0.18 0.00 -1.81 0.00 0.00 61.98 59.82 1ibv s VAL 43 Cb -0.13 -0.79 0.04 0.00 0.56 0.00 0.00 36.38 36.06 1ibv s VAL 43 CO -0.03 0.30 0.45 -1.81 -0.31 0.00 0.00 175.10 173.70 1ibv s ASP 44 N 1.46 -0.32 0.01 4.85 1.11 -1.26 -5.05 116.67 117.47 1ibv s ASP 44 Ca -0.01 -0.21 0.03 0.00 0.18 0.00 0.00 52.55 52.54 1ibv s ASP 44 Cb -0.13 0.50 -0.01 0.00 1.07 0.00 0.00 42.92 44.35 1ibv s ASP 44 CO -0.04 -0.87 -0.09 0.00 1.18 0.00 0.00 175.17 175.35 1ibv s ALA 45 N -3.68 0.77 0.12 5.23 0.00 -1.26 -4.94 121.76 117.99 1ibv s ALA 45 Ca 0.02 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.50 1ibv s ALA 45 Cb 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1ibv s ALA 45 CO -0.11 0.15 -0.10 0.20 0.00 0.00 0.00 175.76 175.90 1ibv s GLY 46 N -0.59 0.92 0.32 0.00 0.00 -1.26 -4.67 107.32 102.04 1ibv s GLY 46 Ca 0.01 -1.33 0.05 0.00 0.00 0.00 0.00 44.72 43.44 1ibv s GLY 46 CO 0.00 -1.42 0.03 -1.34 0.00 0.00 0.00 173.10 170.37 1ibv s VAL 47 N -2.96 1.35 -0.27 1.40 -7.23 -1.26 -4.84 120.40 106.58 1ibv s VAL 47 Ca 0.11 -2.02 -0.24 0.00 -1.81 0.00 0.00 61.98 58.01 1ibv s VAL 47 Cb 0.00 -2.75 0.09 0.00 0.56 0.00 0.00 36.38 34.29 1ibv s VAL 47 CO -0.01 -0.06 0.81 -0.60 -0.31 0.00 0.00 175.10 174.93 1ibv s ARG 48 N -3.84 0.73 0.14 4.82 6.06 -1.26 -4.62 118.95 120.97 1ibv s ARG 48 Ca 0.35 0.90 -0.31 0.00 -2.50 0.00 0.00 55.73 54.16 1ibv s ARG 48 Cb 0.08 0.34 -0.10 0.00 0.06 0.00 0.00 34.95 35.33 1ibv s ARG 48 CO 0.15 -0.09 1.57 -0.51 -2.50 0.00 0.00 175.30 173.92 1ibv s ASP 49 N 0.44 6.61 0.31 -2.12 1.01 -1.26 -4.91 116.67 116.75 1ibv s ASP 49 Ca 0.00 2.57 -0.29 0.00 0.71 0.00 0.00 52.55 55.54 1ibv s ASP 49 Cb -0.05 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.17 1ibv s ASP 49 CO -0.03 -0.82 1.32 1.17 0.21 0.00 0.00 175.17 177.02 1ibv n LYS 50 N 4.27 2.08 -4.03 8.23 3.00 -1.26 -5.02 118.16 125.43 1ibv n LYS 50 Ca 0.14 0.73 -0.23 0.00 -0.00 0.00 0.00 58.31 58.95 1ibv n LYS 50 Cb 0.39 -2.33 -0.06 0.00 0.00 0.00 0.00 35.03 33.04 1ibv n LYS 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ibv n SER 51 N 1.24 2.11 -0.68 3.14 3.41 -1.26 -5.01 113.62 116.56 1ibv n SER 51 Ca 0.07 -2.76 0.03 0.00 -0.26 0.00 0.00 58.87 55.95 1ibv n SER 51 Cb 0.34 0.57 0.11 0.00 -0.26 0.00 0.00 64.21 64.98 1ibv n SER 51 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ibv n ASP 52 N -1.44 1.85 -4.03 4.04 5.75 -1.26 -4.65 116.55 116.80 1ibv n ASP 52 Ca -0.11 -2.15 -0.32 0.00 -0.01 0.00 0.00 54.79 52.21 1ibv n ASP 52 Cb 0.50 -0.36 -0.15 0.00 -1.03 0.00 0.00 41.12 40.09 1ibv n ASP 52 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1ibv s ASN 53 N -0.61 4.78 0.19 -1.12 0.01 -1.26 -4.97 114.94 111.95 1ibv s ASN 53 Ca 0.16 -2.06 -0.13 0.00 -0.71 0.00 0.00 52.86 50.12 1ibv s ASN 53 Cb 0.10 -1.64 0.11 0.00 0.41 0.00 0.00 41.25 40.23 1ibv s ASN 53 CO 0.07 -0.37 1.85 0.78 -1.51 0.00 0.00 177.10 177.92 1ibv h ASN 54 N 7.67 0.66 0.95 -1.22 2.35 -2.00 -1.19 115.58 122.80 1ibv h ASN 54 Ca -0.06 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 1ibv h ASN 54 Cb 1.02 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 39.24 1ibv h ASN 54 CO 0.53 0.47 -0.49 0.58 -1.65 0.00 0.00 177.43 176.87 1ibv h VAL 55 N 0.79 0.00 -0.89 2.81 2.07 -1.99 -1.56 116.25 117.48 1ibv h VAL 55 Ca 0.23 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.88 1ibv h VAL 55 Cb -0.06 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.64 1ibv h VAL 55 CO -0.06 0.00 0.57 -0.07 0.02 0.00 0.00 177.57 178.03 1ibv h LEU 56 N -1.32 0.68 -0.85 2.57 3.38 -1.97 0.10 115.31 117.90 1ibv h LEU 56 Ca -0.13 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1ibv h LEU 56 Cb 1.03 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1ibv h LEU 56 CO 0.19 0.35 0.35 0.44 0.09 0.00 0.00 178.44 179.86 1ibv h ASP 57 N 0.72 1.09 -0.21 -0.43 3.32 -0.99 -1.47 116.42 118.45 1ibv h ASP 57 Ca 0.44 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1ibv h ASP 57 Cb 0.67 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1ibv h ASP 57 CO -0.20 0.95 -0.00 1.23 -1.72 0.00 0.00 179.24 179.49 1ibv h GLY 58 N 1.18 0.40 0.12 2.75 0.00 0.16 -2.31 103.07 105.37 1ibv h GLY 58 Ca 0.27 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.31 1ibv h GLY 58 CO -0.03 0.27 -0.46 -2.22 0.00 0.00 0.00 176.54 174.10 1ibv h ILE 59 N 0.13 0.00 -0.14 2.60 1.08 -0.69 0.24 117.51 120.73 1ibv h ILE 59 Ca 0.06 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.56 1ibv h ILE 59 Cb 0.40 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 1ibv h ILE 59 CO 0.01 0.00 -0.03 0.58 -0.69 0.00 0.00 178.15 178.02 1ibv h VAL 60 N -0.67 0.86 -0.92 1.67 2.07 -1.33 -1.74 116.25 116.20 1ibv h VAL 60 Ca -0.01 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1ibv h VAL 60 Cb 0.67 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1ibv h VAL 60 CO -0.24 0.00 0.60 0.77 0.02 0.00 0.00 177.57 178.72 1ibv h SER 61 N 0.01 0.99 0.00 0.57 4.64 -1.23 0.29 113.55 118.82 1ibv h SER 61 Ca 0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ibv h SER 61 Cb 0.10 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1ibv h SER 61 CO -0.14 0.68 0.00 0.00 -0.87 0.00 0.00 176.83 176.50 1ibv n TYR 62 N -4.44 0.00 -0.02 4.77 9.36 0.84 -1.88 117.16 125.78 1ibv n TYR 62 Ca 0.12 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.32 1ibv n TYR 62 Cb 0.11 -0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.79 1ibv n TYR 62 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1ibv n ASP 63 N -0.48 3.98 0.20 2.98 2.03 0.77 -4.00 116.55 122.04 1ibv n ASP 63 Ca 0.00 -0.01 0.07 0.00 0.52 0.00 0.00 54.79 55.37 1ibv n ASP 63 Cb 0.01 0.20 0.41 0.00 -0.72 0.00 0.00 41.12 41.02 1ibv n ASP 63 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1ibv h ARG 64 N 0.00 0.00 0.05 -0.67 3.08 -0.54 -1.91 114.38 114.39 1ibv h ARG 64 Ca -0.08 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.69 1ibv h ARG 64 Cb 1.14 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.21 1ibv h ARG 64 CO -0.01 0.32 -1.13 0.00 -1.07 0.00 0.00 179.97 178.08 1ibv h ALA 65 N 1.68 0.07 0.00 0.04 0.00 -1.59 -2.54 119.26 116.92 1ibv h ALA 65 Ca -0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.11 1ibv h ALA 65 Cb 0.78 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ibv h ALA 65 CO 0.04 0.69 -0.34 0.93 0.00 0.00 0.00 179.25 180.57 1ibv h GLU 66 N 0.35 0.00 -0.01 0.00 5.08 -1.64 -2.88 114.58 115.49 1ibv h GLU 66 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ibv h GLU 66 Cb 1.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.04 1ibv h GLU 66 CO 0.22 0.34 -0.40 0.25 -1.00 0.00 0.00 179.01 178.42 1ibv n THR 67 N -3.97 0.00 -3.14 1.13 -2.24 -0.74 -1.89 114.28 103.43 1ibv n THR 67 Ca -0.02 -0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 1ibv n THR 67 Cb 0.40 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 1ibv n THR 67 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ibv s LYS 68 N -2.67 4.22 4.14 -0.78 2.20 -0.96 -4.72 119.74 121.16 1ibv s LYS 68 Ca 0.19 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 1ibv s LYS 68 Cb 0.18 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1ibv s LYS 68 CO 0.60 0.42 0.00 0.09 -0.36 0.00 0.00 175.35 176.10 1ibv n ASN 69 N 0.78 0.00 -4.66 1.43 3.02 -1.26 -4.44 115.26 110.13 1ibv n ASN 69 Ca -0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.10 1ibv n ASN 69 Cb 0.51 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 1ibv n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ibv s ALA 70 N -1.00 3.61 -0.10 5.41 0.00 -1.26 -4.93 121.76 123.50 1ibv s ALA 70 Ca 0.00 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.79 1ibv s ALA 70 Cb 0.00 -3.78 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 1ibv s ALA 70 CO 0.00 -1.45 0.95 -0.47 0.00 0.00 0.00 175.76 174.79 1ibv s TYR 71 N 4.14 3.53 -0.23 0.00 5.04 -1.26 -4.65 117.35 123.91 1ibv s TYR 71 Ca 0.80 1.53 0.20 0.00 -2.44 0.00 0.00 57.07 57.16 1ibv s TYR 71 Cb -0.38 -3.12 0.46 0.00 0.35 0.00 0.00 41.96 39.27 1ibv s TYR 71 CO 0.35 -0.17 1.20 0.44 -1.34 0.00 0.00 175.55 176.03 1ibv n ILE 72 N 4.41 0.79 0.00 3.14 -5.35 -0.80 -5.05 119.36 116.51 1ibv n ILE 72 Ca 0.07 -2.16 0.00 0.00 -0.27 0.00 0.00 62.75 60.39 1ibv n ILE 72 Cb 0.49 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 1ibv n ILE 72 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ibv n GLY 73 N -0.61 -3.50 2.62 3.28 0.00 -1.24 -3.53 105.19 102.21 1ibv n GLY 73 Ca 0.00 0.70 -0.41 0.00 0.00 0.00 0.00 46.02 46.32 1ibv n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ibv n GLN 74 N -1.55 5.15 -4.20 1.61 6.02 -1.26 -4.89 117.38 118.25 1ibv n GLN 74 Ca 0.00 -4.32 -0.32 0.00 -0.01 0.00 0.00 57.00 52.34 1ibv n GLN 74 Cb 0.00 -2.52 -0.08 0.00 1.02 0.00 0.00 30.24 28.66 1ibv n GLN 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ibv s ILE 75 N -3.33 4.34 -0.65 5.09 1.09 -1.23 -5.06 121.20 121.45 1ibv s ILE 75 Ca 0.43 -0.58 -0.19 0.00 -1.10 0.00 0.00 60.65 59.21 1ibv s ILE 75 Cb 0.18 -2.97 0.11 0.00 -1.06 0.00 0.00 42.46 38.72 1ibv s ILE 75 CO -0.11 0.34 0.77 0.20 -0.10 0.00 0.00 174.94 176.05 1ibv s ASN 76 N -1.70 6.27 -0.18 3.58 0.01 -1.26 -5.02 114.94 116.63 1ibv s ASN 76 Ca 0.21 -1.54 -0.28 0.00 -0.71 0.00 0.00 52.86 50.54 1ibv s ASN 76 Cb -0.12 -2.32 -0.00 0.00 0.41 0.00 0.00 41.25 39.23 1ibv s ASN 76 CO 0.12 -1.10 0.98 -0.32 -1.51 0.00 0.00 177.10 175.28 1ibv s MET 77 N 2.63 4.31 0.04 -0.60 -2.45 -1.26 -5.04 119.30 116.94 1ibv s MET 77 Ca 0.15 1.29 0.00 0.00 -1.25 0.00 0.00 55.69 55.89 1ibv s MET 77 Cb -0.21 -3.60 -0.04 0.00 1.25 0.00 0.00 34.83 32.24 1ibv s MET 77 CO 0.04 -0.47 0.13 0.99 1.05 0.00 0.00 175.02 176.75 1ibv s THR 78 N 2.63 4.93 -0.14 10.11 2.01 -1.26 -5.10 115.64 128.82 1ibv s THR 78 Ca 0.44 -0.48 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 1ibv s THR 78 Cb -0.16 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1ibv s THR 78 CO 0.11 0.23 0.02 -0.89 -0.69 0.00 0.00 174.62 173.40 1ibv s THR 79 N -1.35 4.46 -0.05 -0.82 2.01 -1.26 -5.08 115.64 113.55 1ibv s THR 79 Ca 0.28 -0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1ibv s THR 79 Cb -0.12 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 1ibv s THR 79 CO 0.20 0.53 -0.24 0.00 -0.69 0.00 0.00 174.62 174.42 1ibv s ALA 80 N -0.12 2.06 0.00 7.40 0.00 -1.26 -5.35 121.76 124.48 1ibv s ALA 80 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1ibv s ALA 80 Cb -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1ibv s ALA 80 CO 0.02 0.42 0.06 -1.13 0.00 0.00 0.00 175.76 175.13