#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k35 n ILE 2 N 0.00 1.84 -3.65 -0.39 5.41 -1.26 -4.88 119.36 116.42 2k35 n ILE 2 Ca 0.00 -4.97 -0.30 0.00 1.00 0.00 0.00 62.75 58.48 2k35 n ILE 2 Cb 0.00 -2.16 0.05 0.00 -0.71 0.00 0.00 39.64 36.82 2k35 n ILE 2 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2k35 n VAL 3 N 1.62 -6.09 -3.64 1.39 0.31 -1.26 -4.99 118.33 105.67 2k35 n VAL 3 Ca 0.23 -0.98 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 2k35 n VAL 3 Cb 0.37 -4.49 -0.06 0.00 -0.91 0.00 0.00 33.84 28.74 2k35 n VAL 3 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k35 s ASP 4 N -3.45 -0.29 0.65 4.52 2.15 -1.25 -4.92 116.67 114.08 2k35 s ASP 4 Ca 0.47 0.46 0.02 0.00 0.43 0.00 0.00 52.55 53.93 2k35 s ASP 4 Cb -0.16 1.13 0.09 0.00 -0.30 0.00 0.00 42.92 43.68 2k35 s ASP 4 CO 0.85 -0.07 0.89 0.00 -0.17 0.00 0.00 175.17 176.68 2k35 n TRP 6 N -2.59 -0.02 0.00 0.00 7.02 0.24 -4.56 117.44 117.53 2k35 n TRP 6 Ca 0.13 -1.73 0.00 0.00 -1.02 0.00 0.00 57.50 54.88 2k35 n TRP 6 Cb 0.60 0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.53 2k35 n TRP 6 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2k35 n GLU 7 N -0.57 0.00 -0.93 -0.99 2.13 -0.58 -2.22 120.64 117.48 2k35 n GLU 7 Ca -0.02 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.56 2k35 n GLU 7 Cb 0.40 0.00 0.20 0.00 0.27 0.00 0.00 31.44 32.31 2k35 n GLU 7 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2k35 n THR 8 N 0.00 0.00 -0.22 6.31 -2.24 -1.26 -4.35 114.28 112.52 2k35 n THR 8 Ca 0.00 -0.44 -0.07 0.00 -2.27 0.00 0.00 64.05 61.27 2k35 n THR 8 Cb 0.00 -1.24 -0.02 0.00 -2.10 0.00 0.00 70.33 66.97 2k35 n THR 8 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2k35 h TRP 9 N -2.39 -1.15 -0.29 4.78 7.01 -2.01 0.64 115.95 122.55 2k35 h TRP 9 Ca -0.33 0.08 -0.14 0.00 2.11 0.00 0.00 58.89 60.61 2k35 h TRP 9 Cb 1.01 0.59 -0.00 0.00 -2.10 0.00 0.00 29.16 28.65 2k35 h TRP 9 CO 0.00 -0.41 -0.35 0.77 -2.79 0.00 0.00 178.44 175.67 2k35 h SER 10 N -0.18 0.81 0.00 2.65 0.02 -1.98 -2.57 113.55 112.30 2k35 h SER 10 Ca 0.21 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2k35 h SER 10 Cb 0.56 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2k35 h SER 10 CO -0.71 1.13 0.00 0.54 -1.14 0.00 0.00 176.83 176.65 2k35 n ARG 11 N -4.20 0.85 0.00 3.45 1.74 -0.60 -2.11 116.66 115.80 2k35 n ARG 11 Ca -0.04 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2k35 n ARG 11 Cb 0.51 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.62 2k35 n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k35 n THR 13 N -0.86 1.60 -3.42 0.00 -1.04 -0.90 -4.24 114.28 105.42 2k35 n THR 13 Ca 0.01 -0.42 -0.23 0.00 -2.04 0.00 0.00 64.05 61.37 2k35 n THR 13 Cb 0.08 -1.77 -0.10 0.00 -1.82 0.00 0.00 70.33 66.72 2k35 n THR 13 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2k35 s LYS 14 N -2.49 0.52 0.22 -2.82 -2.85 -0.96 -0.83 119.74 110.53 2k35 s LYS 14 Ca -0.31 -0.94 -0.18 0.00 -1.00 0.00 0.00 55.97 53.54 2k35 s LYS 14 Cb 0.09 -0.99 0.02 0.00 -2.06 0.00 0.00 37.83 34.89 2k35 s LYS 14 CO 0.62 -1.17 0.57 -0.46 0.10 0.00 0.00 175.35 175.02 2k35 s TRP 15 N 1.45 -0.08 -0.30 1.78 -0.00 -1.26 -4.74 118.94 115.79 2k35 s TRP 15 Ca 0.16 -0.29 -0.13 0.00 -0.00 0.00 0.00 56.10 55.85 2k35 s TRP 15 Cb -0.18 0.45 0.14 0.00 -0.00 0.00 0.00 33.47 33.88 2k35 s TRP 15 CO -0.08 -1.01 0.79 0.45 -0.00 0.00 0.00 176.95 177.11 2k35 s SER 16 N -2.90 -0.89 1.27 5.86 0.15 -1.26 -4.55 113.70 111.37 2k35 s SER 16 Ca 0.11 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.01 2k35 s SER 16 Cb -0.02 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.23 2k35 s SER 16 CO 0.01 -0.18 0.00 0.00 1.20 0.00 0.00 173.24 174.27 2k35 n GLN 17 N 5.10 0.00 -0.00 5.44 1.13 -1.26 -0.73 117.38 127.05 2k35 n GLN 17 Ca -0.12 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 54.96 2k35 n GLN 17 Cb 0.51 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.84 2k35 n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k35 n GLY 18 N 0.00 -0.00 0.02 1.08 0.00 -1.26 -4.65 105.19 100.38 2k35 n GLY 18 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.04 2k35 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k35 n GLY 19 N 2.06 -1.08 4.10 -0.02 0.00 -1.24 -4.97 105.19 104.04 2k35 n GLY 19 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2k35 n GLY 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k35 n THR 20 N -1.92 0.00 -1.24 2.61 -1.04 0.09 -4.85 114.28 107.93 2k35 n THR 20 Ca 0.01 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 2k35 n THR 20 Cb 0.44 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.91 2k35 n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k35 n GLY 21 N -0.22 4.05 2.48 3.41 0.00 -1.26 -3.78 105.19 109.88 2k35 n GLY 21 Ca 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 46.02 44.60 2k35 n GLY 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k35 n THR 22 N 3.53 0.87 -3.13 2.61 -1.04 -1.26 -4.98 114.28 110.87 2k35 n THR 22 Ca 0.73 -2.29 -0.14 0.00 -2.04 0.00 0.00 64.05 60.32 2k35 n THR 22 Cb 0.28 1.20 0.07 0.00 -1.82 0.00 0.00 70.33 70.06 2k35 n THR 22 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2k35 n LEU 23 N -0.39 -4.78 -0.15 -4.42 4.77 -1.26 -4.94 117.00 105.83 2k35 n LEU 23 Ca 0.04 -0.61 -0.05 0.00 -0.03 0.00 0.00 56.01 55.37 2k35 n LEU 23 Cb 0.88 -2.90 0.04 0.00 -2.33 0.00 0.00 43.42 39.11 2k35 n LEU 23 CO 0.03 0.17 1.01 4.11 -1.33 0.00 0.00 177.39 181.38 2k35 h TRP 24 N -1.21 0.43 0.00 -1.77 0.09 -1.80 -3.46 115.95 108.23 2k35 h TRP 24 Ca -0.54 0.02 0.00 0.00 0.09 0.00 0.00 58.89 58.46 2k35 h TRP 24 Cb 1.29 -0.13 0.00 0.00 0.08 0.00 0.00 29.16 30.40 2k35 h TRP 24 CO 0.31 0.22 0.00 1.63 0.09 0.00 0.00 178.44 180.68 2k35 n LYS 25 N -4.90 0.00 -3.49 0.12 5.02 -1.26 -4.49 118.16 109.16 2k35 n LYS 25 Ca 0.03 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 2k35 n LYS 25 Cb 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.09 2k35 n LYS 25 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2k35 s SER 26 N -4.00 -0.51 0.05 4.39 0.01 -1.26 -4.65 113.70 107.73 2k35 s SER 26 Ca 0.00 0.23 -0.23 0.00 1.31 0.00 0.00 55.95 57.26 2k35 s SER 26 Cb 0.00 0.49 -0.15 0.00 0.21 0.00 0.00 66.02 66.57 2k35 s SER 26 CO 0.00 -0.71 1.51 0.00 0.41 0.00 0.00 173.24 174.45 2k35 h ASN 28 N -0.14 0.67 -0.18 0.00 -1.24 -1.82 -1.20 115.58 111.66 2k35 h ASN 28 Ca 0.02 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 56.89 2k35 h ASN 28 Cb 0.27 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 2k35 h ASN 28 CO 0.00 0.61 0.09 -0.78 -1.29 0.00 0.00 177.43 176.07 2k35 h ASP 29 N 0.68 0.23 0.39 1.15 3.58 -1.90 0.56 116.42 121.11 2k35 h ASP 29 Ca 0.18 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 2k35 h ASP 29 Cb 0.12 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2k35 h ASP 29 CO -0.02 0.27 -0.13 0.03 -2.88 0.00 0.00 179.24 176.50 2k35 h ARG 30 N 0.18 0.00 0.07 0.28 3.08 -0.30 -1.38 114.38 116.30 2k35 h ARG 30 Ca 0.06 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.79 2k35 h ARG 30 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2k35 h ARG 30 CO -0.01 0.13 -1.77 0.00 -1.07 0.00 0.00 179.97 177.25 2k35 h LYS 32 N 0.04 0.79 0.00 0.00 3.64 0.47 -2.25 116.57 119.26 2k35 h LYS 32 Ca -0.32 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2k35 h LYS 32 Cb 2.02 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 2k35 h LYS 32 CO 0.10 0.90 0.00 -0.85 -2.27 0.00 0.00 179.45 177.33 2k35 n GLU 33 N -4.14 0.11 0.00 1.90 0.28 -0.55 -1.55 120.64 116.69 2k35 n GLU 33 Ca 0.01 0.35 0.14 0.00 -0.16 0.00 0.00 57.16 57.50 2k35 n GLU 33 Cb 0.40 -1.72 0.57 0.00 1.43 0.00 0.00 31.44 32.12 2k35 n GLU 33 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2k35 n LEU 34 N -1.93 0.84 -0.01 -1.84 4.77 -0.86 -4.90 117.00 113.08 2k35 n LEU 34 Ca 0.03 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2k35 n LEU 34 Cb 0.21 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2k35 n LEU 34 CO 0.17 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2k35 n GLY 35 N 1.24 1.65 3.76 -0.72 0.00 -0.60 -5.11 105.19 105.40 2k35 n GLY 35 Ca 0.16 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2k35 n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k35 s ARG 36 N -1.52 2.19 -0.11 1.61 1.81 -1.17 -5.05 118.95 116.71 2k35 s ARG 36 Ca 0.00 -2.40 -0.04 0.00 -1.72 0.00 0.00 55.73 51.56 2k35 s ARG 36 Cb 0.00 -1.50 -0.03 0.00 -0.45 0.00 0.00 34.95 32.97 2k35 s ARG 36 CO 0.00 -0.37 0.08 0.87 -0.68 0.00 0.00 175.30 175.20 2k35 h LYS 37 N 1.36 0.00 0.00 3.54 1.79 -1.85 -3.39 116.57 118.01 2k35 h LYS 37 Ca -0.44 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.95 2k35 h LYS 37 Cb 1.32 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.95 2k35 h LYS 37 CO 0.73 0.13 -0.01 2.89 -1.08 0.00 0.00 179.45 182.12 2k35 n ARG 38 N -4.74 0.37 -4.41 3.15 -4.01 -1.26 -4.71 116.66 101.04 2k35 n ARG 38 Ca -0.02 -1.14 -0.19 0.00 -1.04 0.00 0.00 57.85 55.45 2k35 n ARG 38 Cb 0.08 1.19 -0.14 0.00 -3.04 0.00 0.00 32.46 30.55 2k35 n ARG 38 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 2k35 s GLY 39 N -1.93 0.57 -0.06 2.89 0.00 -1.26 0.65 107.32 108.18 2k35 s GLY 39 Ca 0.11 -0.55 0.05 0.00 0.00 0.00 0.00 44.72 44.33 2k35 s GLY 39 CO 0.08 -0.49 -0.22 1.20 0.00 0.00 0.00 173.10 173.67 2k35 s GLN 40 N -0.51 2.61 -0.59 2.90 -0.21 0.39 -4.61 119.66 119.63 2k35 s GLN 40 Ca 0.03 -0.84 -0.27 0.00 0.02 0.00 0.00 55.36 54.30 2k35 s GLN 40 Cb -0.05 -2.25 0.00 0.00 1.00 0.00 0.00 33.01 31.71 2k35 s GLN 40 CO -0.00 0.42 1.58 0.00 -2.12 0.00 0.00 175.29 175.17 2k35 n GLU 42 N 8.96 1.50 0.00 0.00 0.00 -0.36 -4.95 120.64 125.78 2k35 n GLU 42 Ca 0.14 -0.81 0.00 0.00 0.00 0.00 0.00 57.16 56.49 2k35 n GLU 42 Cb 0.50 0.27 0.00 0.00 0.00 0.00 0.00 31.44 32.21 2k35 n GLU 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2k35 n GLU 43 N -0.26 0.00 -3.68 5.31 1.02 -1.26 0.75 120.64 122.52 2k35 n GLU 43 Ca -0.04 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.86 2k35 n GLU 43 Cb 0.14 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.57 2k35 n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k35 n LYS 44 N 0.00 -1.60 -0.30 3.49 4.76 -1.26 -0.14 118.16 123.11 2k35 n LYS 44 Ca 0.00 0.94 0.00 0.00 -2.87 0.00 0.00 58.31 56.38 2k35 n LYS 44 Cb 0.00 -2.57 0.00 0.00 -1.84 0.00 0.00 35.03 30.62 2k35 n LYS 44 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2k35 n PRO 45 N -2.14 0.70 0.00 1.97 -0.02 -1.19 -4.00 135.00 130.31 2k35 n PRO 45 Ca -0.25 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.37 2k35 n PRO 45 Cb 0.68 -1.15 0.59 0.00 -0.02 0.00 0.00 33.50 33.60 2k35 n PRO 45 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2k35 n SER 46 N 1.50 0.33 -2.69 2.55 3.41 -1.26 -3.84 113.62 113.62 2k35 n SER 46 Ca 0.00 -0.31 -0.07 0.00 -0.26 0.00 0.00 58.87 58.23 2k35 n SER 46 Cb 0.35 -0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.20 2k35 n SER 46 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2k35 n ARG 47 N -1.15 1.24 -4.02 4.33 1.74 -1.26 -5.06 116.66 112.48 2k35 n ARG 47 Ca 0.12 -3.16 -0.31 0.00 -0.77 0.00 0.00 57.85 53.73 2k35 n ARG 47 Cb 0.29 -1.19 -0.15 0.00 -1.02 0.00 0.00 32.46 30.39 2k35 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k35 h PRO 49 N 7.81 0.00 0.00 0.00 0.13 -1.94 -3.46 132.00 134.55 2k35 h PRO 49 Ca -0.17 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.50 2k35 h PRO 49 Cb 1.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2k35 h PRO 49 CO 0.45 0.40 -0.18 1.28 -0.23 0.00 0.00 178.00 179.73 2k35 n LEU 50 N -3.63 0.00 -0.00 1.56 4.77 -1.26 -5.06 117.00 113.38 2k35 n LEU 50 Ca -0.01 -2.32 0.03 0.00 -0.03 0.00 0.00 56.01 53.68 2k35 n LEU 50 Cb 0.50 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 2k35 n LEU 50 CO 0.37 -0.58 -0.57 -1.54 -1.33 0.00 0.00 177.39 173.74 2k35 n SER 51 N -2.04 3.61 -1.28 -1.43 3.41 -1.26 -4.55 113.62 110.07 2k35 n SER 51 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.59 2k35 n SER 51 Cb 0.52 1.27 0.04 0.00 -0.26 0.00 0.00 64.21 65.78 2k35 n SER 51 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k35 n LYS 52 N -1.72 1.27 0.00 4.33 4.76 -1.26 -4.33 118.16 121.21 2k35 n LYS 52 Ca -0.01 -0.63 0.00 0.00 -2.87 0.00 0.00 58.31 54.80 2k35 n LYS 52 Cb 0.17 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 2k35 n LYS 52 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k35 n LYS 53 N 0.21 0.00 0.00 1.97 4.01 -1.26 -4.83 118.16 118.26 2k35 n LYS 53 Ca 0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 2k35 n LYS 53 Cb 0.73 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.25 2k35 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k35 n ALA 54 N -1.14 0.00 -1.78 7.82 0.00 -1.24 -4.57 120.51 119.60 2k35 n ALA 54 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2k35 n ALA 54 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2k35 n ALA 54 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2k35 s TRP 55 N 0.00 3.02 -0.05 0.00 0.52 -0.94 -3.19 118.94 118.29 2k35 s TRP 55 Ca 0.00 1.58 0.01 0.00 0.02 0.00 0.00 56.10 57.71 2k35 s TRP 55 Cb 0.00 -3.26 0.02 0.00 -1.15 0.00 0.00 33.47 29.08 2k35 s TRP 55 CO 0.00 -1.15 -0.06 0.99 0.02 0.00 0.00 176.95 176.75 2k35 s THR 56 N -1.63 0.69 -0.68 2.01 2.01 0.23 0.80 115.64 119.07 2k35 s THR 56 Ca 0.62 -0.20 -0.27 0.00 0.31 0.00 0.00 61.69 62.15 2k35 s THR 56 Cb -0.25 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.58 2k35 s THR 56 CO 0.31 0.26 1.44 0.00 -0.69 0.00 0.00 174.62 175.94 2k35 s ILE 58 N 6.58 4.60 0.05 0.00 -1.09 0.71 -2.58 121.20 129.48 2k35 s ILE 58 Ca 0.45 1.91 -0.31 0.00 -2.23 0.00 0.00 60.65 60.48 2k35 s ILE 58 Cb -0.09 -4.32 -0.06 0.00 -1.58 0.00 0.00 42.46 36.41 2k35 s ILE 58 CO 0.18 -0.27 1.31 0.00 -1.23 0.00 0.00 174.94 174.94