#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a45 n ALA 27 N 0.00 0.00 -1.39 -0.43 0.00 -1.26 -5.19 120.51 112.24 2a45 n ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2a45 n ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2a45 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a45 n LYS 29 N 0.00 0.00 -4.04 0.00 3.00 -1.26 -1.34 118.16 114.52 2a45 n LYS 29 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 2a45 n LYS 29 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 2a45 n LYS 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2a45 n ASP 30 N 0.00 0.39 0.00 3.14 9.92 -1.26 -4.47 116.55 124.27 2a45 n ASP 30 Ca 0.00 -1.07 0.00 0.00 -0.53 0.00 0.00 54.79 53.19 2a45 n ASP 30 Cb 0.00 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.14 2a45 n ASP 30 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2a45 n SER 31 N -2.31 0.00 -2.69 -2.24 7.64 -0.45 -4.18 113.62 109.39 2a45 n SER 31 Ca -0.21 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.60 2a45 n SER 31 Cb 0.55 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.82 2a45 n SER 31 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2a45 n ASP 32 N 1.72 0.33 -4.90 6.43 5.75 -1.26 -5.07 116.55 119.55 2a45 n ASP 32 Ca 0.00 -2.55 -0.27 0.00 -0.01 0.00 0.00 54.79 51.96 2a45 n ASP 32 Cb 0.00 -0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.04 2a45 n ASP 32 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2a45 s TRP 33 N -2.05 3.40 0.88 2.11 0.23 -1.26 -5.12 118.94 117.12 2a45 s TRP 33 Ca 0.25 0.10 -0.12 0.00 -2.03 0.00 0.00 56.10 54.30 2a45 s TRP 33 Cb 0.43 -1.64 0.16 0.00 0.03 0.00 0.00 33.47 32.45 2a45 s TRP 33 CO -0.01 0.53 1.23 -1.25 0.96 0.00 0.00 176.95 178.40 2a45 s PRO 34 N -3.06 1.09 0.38 4.98 0.04 -1.26 -5.07 135.00 132.10 2a45 s PRO 34 Ca 0.33 -0.44 -0.23 0.00 0.04 0.00 0.00 61.00 60.70 2a45 s PRO 34 Cb -0.11 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 2a45 s PRO 34 CO 0.27 -2.07 0.94 0.12 0.04 0.00 0.00 177.00 176.31 2a45 s PHE 35 N -3.68 3.49 0.25 0.56 5.36 -1.26 -5.04 117.98 117.66 2a45 s PHE 35 Ca 0.70 1.69 -0.15 0.00 -0.96 0.00 0.00 56.93 58.21 2a45 s PHE 35 Cb -0.05 -2.88 -0.08 0.00 -0.34 0.00 0.00 43.02 39.66 2a45 s PHE 35 CO 0.50 0.05 0.67 0.00 -1.46 0.00 0.00 175.22 174.98 2a45 s SER 37 N -2.03 6.42 0.43 0.00 0.15 -1.26 -4.95 113.70 112.46 2a45 s SER 37 Ca 0.47 0.47 0.20 0.00 0.70 0.00 0.00 55.95 57.78 2a45 s SER 37 Cb -0.13 -2.04 1.14 0.00 -1.71 0.00 0.00 66.02 63.29 2a45 s SER 37 CO 0.19 -0.00 1.84 0.44 1.20 0.00 0.00 173.24 176.91 2a45 h ASP 38 N 2.34 0.36 -0.82 5.45 5.19 -1.98 1.39 116.42 128.35 2a45 h ASP 38 Ca -0.47 0.05 0.17 0.00 -0.62 0.00 0.00 57.03 56.16 2a45 h ASP 38 Cb 1.18 -0.02 -0.06 0.00 0.18 0.00 0.00 39.33 40.61 2a45 h ASP 38 CO 0.70 0.13 0.55 -0.33 -3.12 0.00 0.00 179.24 177.16 2a45 h GLU 39 N 0.35 0.40 0.40 3.56 5.08 -2.03 -2.39 114.58 119.95 2a45 h GLU 39 Ca 0.49 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2a45 h GLU 39 Cb 1.33 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2a45 h GLU 39 CO -0.18 0.27 -0.42 -0.44 -1.00 0.00 0.00 179.01 177.24 2a45 h ASP 40 N 0.41 -1.14 -0.80 1.42 3.45 0.15 -3.45 116.42 116.47 2a45 h ASP 40 Ca 0.41 0.10 -0.56 0.00 0.43 0.00 0.00 57.03 57.40 2a45 h ASP 40 Cb 0.98 0.38 0.07 0.00 -0.56 0.00 0.00 39.33 40.21 2a45 h ASP 40 CO -0.14 -0.56 -0.29 1.87 -1.57 0.00 0.00 179.24 178.54 2a45 n TRP 41 N -5.51 -0.13 -2.21 4.55 -0.00 -0.90 -1.05 117.44 112.19 2a45 n TRP 41 Ca -0.10 0.80 -0.08 0.00 -0.00 0.00 0.00 57.50 58.12 2a45 n TRP 41 Cb 0.41 -1.60 -0.00 0.00 -0.00 0.00 0.00 31.31 30.11 2a45 n TRP 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 2a45 n ASN 42 N 1.49 -2.89 0.00 5.87 3.02 -1.26 -4.69 115.26 116.79 2a45 n ASN 42 Ca 0.15 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2a45 n ASN 42 Cb 0.16 -2.15 0.00 0.00 -0.61 0.00 0.00 39.78 37.18 2a45 n ASN 42 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2a45 n TYR 43 N -3.96 0.00 -3.38 3.10 4.01 -0.22 -5.00 117.16 111.71 2a45 n TYR 43 Ca -0.08 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.49 2a45 n TYR 43 Cb 0.57 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.51 2a45 n TYR 43 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2a45 s LYS 44 N 0.00 0.48 0.48 -0.72 -0.14 -1.12 -5.10 119.74 113.62 2a45 s LYS 44 Ca 0.00 -0.47 0.07 0.00 -1.36 0.00 0.00 55.97 54.21 2a45 s LYS 44 Cb 0.00 -0.67 0.01 0.00 -1.68 0.00 0.00 37.83 35.49 2a45 s LYS 44 CO 0.00 -1.11 0.43 0.00 -0.76 0.00 0.00 175.35 173.91 2a45 n PRO 46 N -1.70 -0.54 -3.56 0.00 -0.02 -1.26 -4.93 135.00 122.99 2a45 n PRO 46 Ca 0.03 -0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 60.95 2a45 n PRO 46 Cb 0.63 -1.23 -0.07 0.00 -0.02 0.00 0.00 33.50 32.81 2a45 n PRO 46 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2a45 s SER 47 N -1.28 5.80 0.00 2.55 0.01 -1.26 -5.00 113.70 114.53 2a45 s SER 47 Ca 0.43 -2.55 0.00 0.00 1.31 0.00 0.00 55.95 55.14 2a45 s SER 47 Cb 0.03 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.27 2a45 s SER 47 CO 0.66 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2a45 n GLY 48 N 4.02 0.00 0.40 3.44 0.00 -1.26 0.57 105.19 112.35 2a45 n GLY 48 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 2a45 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a45 h ARG 50 N -0.04 -0.25 0.00 0.00 9.65 -0.30 -2.86 114.38 120.59 2a45 h ARG 50 Ca 0.26 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 2a45 h ARG 50 Cb 0.53 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 2a45 h ARG 50 CO -0.92 -0.16 0.00 -1.33 2.80 0.00 0.00 179.97 180.35 2a45 n MET 51 N -5.42 0.00 -0.27 0.20 2.81 0.57 -1.37 117.12 113.65 2a45 n MET 51 Ca 0.01 0.69 -0.00 0.00 -1.81 0.00 0.00 57.70 56.59 2a45 n MET 51 Cb 0.34 -1.25 0.04 0.00 -0.71 0.00 0.00 33.22 31.64 2a45 n MET 51 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2a45 n LYS 52 N -1.91 -0.15 -0.30 0.03 3.00 -1.10 0.19 118.16 117.92 2a45 n LYS 52 Ca 0.00 1.07 0.11 0.00 -0.00 0.00 0.00 58.31 59.50 2a45 n LYS 52 Cb 0.00 -1.59 0.28 0.00 0.00 0.00 0.00 35.03 33.72 2a45 n LYS 52 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2a45 h GLY 53 N 0.00 1.50 1.33 3.14 0.00 -1.00 0.58 103.07 108.62 2a45 h GLY 53 Ca 0.25 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 2a45 h GLY 53 CO -0.69 -0.18 -0.01 1.41 0.00 0.00 0.00 176.54 177.06 2a45 h LEU 54 N 0.49 0.79 0.30 3.11 3.38 0.26 0.17 115.31 123.81 2a45 h LEU 54 Ca 0.53 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 2a45 h LEU 54 Cb 0.92 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2a45 h LEU 54 CO -0.47 0.86 -0.15 0.40 0.09 0.00 0.00 178.44 179.18 2a45 h ILE 55 N 0.76 0.70 -0.87 1.22 5.03 0.54 -1.80 117.51 123.09 2a45 h ILE 55 Ca 0.14 -0.59 0.13 0.00 -0.12 0.00 0.00 64.86 64.42 2a45 h ILE 55 Cb 0.48 0.99 -0.09 0.00 -3.03 0.00 0.00 36.82 35.17 2a45 h ILE 55 CO 0.02 0.11 0.48 0.44 -0.68 0.00 0.00 178.15 178.52 2a45 h ASP 56 N -0.75 0.63 0.36 1.72 3.45 0.13 -2.24 116.42 119.72 2a45 h ASP 56 Ca -0.04 0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 2a45 h ASP 56 Cb 0.50 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 2a45 h ASP 56 CO 0.07 0.30 -0.31 -0.08 -1.57 0.00 0.00 179.24 177.65 2a45 h GLU 57 N 0.72 -0.63 0.00 3.56 4.81 -0.57 -2.87 114.58 119.60 2a45 h GLU 57 Ca 0.45 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2a45 h GLU 57 Cb 0.57 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2a45 h GLU 57 CO -0.32 -0.42 0.00 0.28 -0.73 0.00 0.00 179.01 177.82 2a45 n VAL 58 N -4.26 0.00 -0.27 0.32 0.31 -0.68 -2.59 118.33 111.17 2a45 n VAL 58 Ca -0.08 1.11 0.07 0.00 -0.01 0.00 0.00 64.34 65.43 2a45 n VAL 58 Cb 0.29 -1.63 0.16 0.00 -0.91 0.00 0.00 33.84 31.75 2a45 n VAL 58 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2a45 n ASN 59 N -1.41 -0.19 0.18 4.52 2.85 -0.89 -1.30 115.26 119.02 2a45 n ASN 59 Ca 0.00 1.30 -0.16 0.00 -0.11 0.00 0.00 54.58 55.60 2a45 n ASN 59 Cb 0.00 -0.43 -0.09 0.00 1.24 0.00 0.00 39.78 40.51 2a45 n ASN 59 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2a45 h GLN 60 N 0.00 -0.77 -0.59 1.20 -0.00 -1.25 0.63 115.11 114.32 2a45 h GLN 60 Ca 0.40 0.05 0.12 0.00 -0.00 0.00 0.00 58.65 59.23 2a45 h GLN 60 Cb 0.72 0.17 -0.11 0.00 0.00 0.00 0.00 27.48 28.26 2a45 h GLN 60 CO -0.75 -0.51 -0.11 -0.44 0.00 0.00 0.00 178.83 177.02 2a45 h ASP 61 N -0.80 -0.48 -0.51 -0.69 3.32 -1.07 0.49 116.42 116.69 2a45 h ASP 61 Ca -0.01 0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.28 2a45 h ASP 61 Cb 0.76 0.34 -0.06 0.00 0.22 0.00 0.00 39.33 40.59 2a45 h ASP 61 CO -0.18 -0.18 0.16 -0.26 -1.72 0.00 0.00 179.24 177.07 2a45 h PHE 62 N 0.03 0.28 0.00 4.55 -1.00 -0.84 0.31 116.94 120.26 2a45 h PHE 62 Ca 0.29 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.10 2a45 h PHE 62 Cb 0.45 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.97 2a45 h PHE 62 CO -0.45 0.07 0.00 0.25 -1.61 0.00 0.00 178.31 176.57 2a45 n THR 63 N -5.03 0.00 -0.34 -1.55 -2.24 0.21 0.20 114.28 105.52 2a45 n THR 63 Ca 0.06 1.32 0.07 0.00 -2.27 0.00 0.00 64.05 63.23 2a45 n THR 63 Cb 0.22 -2.25 0.17 0.00 -2.10 0.00 0.00 70.33 66.36 2a45 n THR 63 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2a45 h ASN 64 N 0.00 -0.78 0.10 3.42 7.08 -0.64 6.36 115.58 131.12 2a45 h ASN 64 Ca 0.00 0.28 -0.03 0.00 -3.08 0.00 0.00 56.30 53.47 2a45 h ASN 64 Cb 0.00 0.56 -0.01 0.00 -2.08 0.00 0.00 38.32 36.80 2a45 h ASN 64 CO 0.00 -0.32 -0.13 0.03 -2.08 0.00 0.00 177.43 174.93 2a45 h ARG 65 N 0.00 0.06 -0.13 4.14 3.08 -0.21 2.72 114.38 124.04 2a45 h ARG 65 Ca 0.49 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.47 2a45 h ARG 65 Cb 0.82 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 2a45 h ARG 65 CO -0.97 0.19 -0.14 0.82 -1.07 0.00 0.00 179.97 178.81 2a45 h ILE 66 N 0.06 1.35 -0.49 2.04 5.03 2.46 -2.05 117.51 125.92 2a45 h ILE 66 Ca 0.01 -1.30 -0.07 0.00 -0.12 0.00 0.00 64.86 63.38 2a45 h ILE 66 Cb 0.26 1.90 -0.02 0.00 -3.03 0.00 0.00 36.82 35.94 2a45 h ILE 66 CO 0.02 0.38 0.00 0.78 -0.68 0.00 0.00 178.15 178.65 2a45 h ASN 67 N -0.05 0.78 -0.57 1.72 2.35 0.17 0.41 115.58 120.40 2a45 h ASN 67 Ca 0.02 -0.19 0.15 0.00 -0.55 0.00 0.00 56.30 55.74 2a45 h ASN 67 Cb 0.67 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 2a45 h ASN 67 CO 0.03 0.84 0.40 0.11 -1.65 0.00 0.00 177.43 177.17 2a45 h LYS 68 N 0.76 0.06 0.08 0.81 1.57 0.50 1.02 116.57 121.36 2a45 h LYS 68 Ca 0.15 -0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.56 2a45 h LYS 68 Cb 0.46 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2a45 h LYS 68 CO 0.02 0.04 -2.05 1.28 -0.57 0.00 0.00 179.45 178.17 2a45 n LEU 69 N -4.39 2.58 -0.04 2.94 4.77 -0.66 -2.48 117.00 119.73 2a45 n LEU 69 Ca 0.11 0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.37 2a45 n LEU 69 Cb 0.60 -1.04 0.53 0.00 -2.33 0.00 0.00 43.42 41.19 2a45 n LEU 69 CO 0.36 0.79 1.18 0.11 -1.33 0.00 0.00 177.39 178.50 2a45 h LYS 70 N -0.14 0.32 0.01 3.23 1.57 0.75 -2.87 116.57 119.44 2a45 h LYS 70 Ca -0.47 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 2a45 h LYS 70 Cb 1.89 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.13 2a45 h LYS 70 CO -0.02 0.21 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.12 2a45 h ASN 71 N 0.33 0.03 -0.87 0.86 2.35 0.92 -3.29 115.58 115.91 2a45 h ASN 71 Ca 0.24 -0.97 0.25 0.00 -0.55 0.00 0.00 56.30 55.28 2a45 h ASN 71 Cb 0.53 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 2a45 h ASN 71 CO -0.06 1.00 0.87 0.28 -1.65 0.00 0.00 177.43 177.86 2a45 h SER 72 N -0.94 0.00 -0.03 5.81 0.02 -1.26 -3.51 113.55 113.65 2a45 h SER 72 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2a45 h SER 72 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2a45 h SER 72 CO 0.01 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.88