#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 -3.04 -2.54 -0.39 5.41 -1.26 -4.98 119.36 112.56 2k35 n ILE 2 Ca 0.00 1.19 -0.05 0.00 1.00 0.00 0.00 62.75 64.89 2k35 n ILE 2 Cb 0.00 -1.66 0.01 0.00 -0.71 0.00 0.00 39.64 37.27 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 -1.07 -8.53 -3.30 1.39 0.31 -1.26 -4.77 118.33 101.10 2k35 n VAL 3 Ca 0.00 0.46 -0.46 0.00 -0.01 0.00 0.00 64.34 64.33 2k35 n VAL 3 Cb 0.03 -6.36 -0.03 0.00 -0.91 0.00 0.00 33.84 26.57 2k35 n VAL 3 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2k35 s ASP 4 N -2.32 6.51 -0.28 4.52 1.47 -1.26 -3.92 116.67 121.39 2k35 s ASP 4 Ca 0.14 -2.27 -0.28 0.00 1.18 0.00 0.00 52.55 51.32 2k35 s ASP 4 Cb -0.04 -2.22 0.01 0.00 -0.34 0.00 0.00 42.92 40.33 2k35 s ASP 4 CO 0.57 -0.72 1.01 0.00 0.68 0.00 0.00 175.17 176.71 2k35 n TRP 6 N 6.56 -0.69 -0.08 0.00 7.02 0.15 -4.77 117.44 125.62 2k35 n TRP 6 Ca 0.11 -0.50 -0.10 0.00 -1.02 0.00 0.00 57.50 55.99 2k35 n TRP 6 Cb 0.47 0.13 -0.03 0.00 -2.42 0.00 0.00 31.31 29.45 2k35 n TRP 6 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2k35 n GLU 7 N -0.13 0.49 -1.90 -0.99 1.02 -1.26 -3.02 120.64 114.86 2k35 n GLU 7 Ca 0.00 0.20 -0.41 0.00 -0.02 0.00 0.00 57.16 56.93 2k35 n GLU 7 Cb 0.13 -1.36 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 2k35 n GLU 7 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2k35 s THR 8 N -2.82 2.30 0.21 2.62 2.01 -1.26 -4.84 115.64 113.85 2k35 s THR 8 Ca -0.27 0.28 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 2k35 s THR 8 Cb 0.04 -3.18 0.15 0.00 0.01 0.00 0.00 72.50 69.52 2k35 s THR 8 CO 0.40 0.06 1.77 -0.25 -0.69 0.00 0.00 174.62 175.91 2k35 h TRP 9 N 3.76 0.52 -0.47 4.92 7.01 -1.96 0.69 115.95 130.42 2k35 h TRP 9 Ca -0.49 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.48 2k35 h TRP 9 Cb 1.23 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 28.13 2k35 h TRP 9 CO 0.56 0.18 0.06 1.03 -2.79 0.00 0.00 178.44 177.48 2k35 h SER 10 N 0.52 0.69 0.55 2.65 0.87 -1.97 -2.58 113.55 114.27 2k35 h SER 10 Ca 0.31 -0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 60.59 2k35 h SER 10 Cb 0.33 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2k35 h SER 10 CO -0.26 0.72 -0.65 0.03 -0.53 0.00 0.00 176.83 176.13 2k35 h ARG 11 N 0.70 0.09 -0.33 2.24 3.08 -1.57 -2.05 114.38 116.54 2k35 h ARG 11 Ca 0.15 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2k35 h ARG 11 Cb 0.34 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2k35 h ARG 11 CO 0.01 0.71 0.00 0.00 -1.07 0.00 0.00 179.97 179.62 2k35 n THR 13 N 0.46 0.00 -2.51 0.00 -2.24 -1.02 -2.96 114.28 106.00 2k35 n THR 13 Ca 0.11 -0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2k35 n THR 13 Cb 0.28 1.40 0.03 0.00 -2.10 0.00 0.00 70.33 69.94 2k35 n THR 13 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2k35 n LYS 14 N -0.12 0.71 0.00 -0.78 4.01 -0.79 0.80 118.16 121.99 2k35 n LYS 14 Ca 0.00 -2.06 0.00 0.00 -0.51 0.00 0.00 58.31 55.74 2k35 n LYS 14 Cb 0.10 -0.26 0.00 0.00 -0.51 0.00 0.00 35.03 34.36 2k35 n LYS 14 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 2k35 n TRP 15 N -0.26 0.00 -3.64 2.13 -0.00 -1.20 -4.66 117.44 109.80 2k35 n TRP 15 Ca -0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.41 2k35 n TRP 15 Cb 0.91 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 32.15 2k35 n TRP 15 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2k35 s SER 16 N 1.00 -0.29 0.68 5.87 0.01 -1.26 -4.50 113.70 115.20 2k35 s SER 16 Ca 0.00 0.51 -0.14 0.00 1.31 0.00 0.00 55.95 57.63 2k35 s SER 16 Cb 0.00 0.79 0.01 0.00 0.21 0.00 0.00 66.02 67.03 2k35 s SER 16 CO 0.00 -0.08 1.10 0.00 0.41 0.00 0.00 173.24 174.66 2k35 s GLN 17 N 0.62 2.75 0.00 12.44 -2.07 -1.25 -1.76 119.66 130.39 2k35 s GLN 17 Ca -0.01 1.29 0.00 0.00 -1.82 0.00 0.00 55.36 54.82 2k35 s GLN 17 Cb -0.04 -1.95 0.00 0.00 -1.09 0.00 0.00 33.01 29.93 2k35 s GLN 17 CO -0.12 -1.27 0.00 0.41 -1.32 0.00 0.00 175.29 172.99 2k35 n GLY 18 N -0.82 0.53 2.33 2.60 0.00 -1.26 -3.81 105.19 104.75 2k35 n GLY 18 Ca 0.10 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.87 0.86 6.38 -0.02 0.00 -1.26 -4.53 105.19 105.75 2k35 n GLY 19 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.09 0.00 0.00 2.61 -1.04 -0.72 -4.88 114.28 107.16 2k35 n THR 20 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2k35 n THR 20 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 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 0.00 1.75 0.49 3.41 0.00 -1.26 -4.65 105.19 104.94 2k35 n GLY 21 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.00 -0.80 2.61 -1.04 -1.26 -4.96 114.28 108.83 2k35 n THR 22 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 2k35 n THR 22 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 2k35 n THR 22 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2k35 n LEU 23 N -1.64 5.86 -0.02 -4.42 7.94 -1.26 -4.37 117.00 119.09 2k35 n LEU 23 Ca 0.00 -3.00 -0.12 0.00 -1.11 0.00 0.00 56.01 51.78 2k35 n LEU 23 Cb 0.00 -1.15 -0.08 0.00 0.53 0.00 0.00 43.42 42.72 2k35 n LEU 23 CO 0.00 1.25 0.71 4.11 -1.11 0.00 0.00 177.39 182.34 2k35 h TRP 24 N 1.61 0.12 0.00 1.96 0.09 -1.89 -3.42 115.95 114.43 2k35 h TRP 24 Ca 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 58.89 59.12 2k35 h TRP 24 Cb 1.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.16 30.21 2k35 h TRP 24 CO 0.76 0.43 0.00 1.63 0.09 0.00 0.00 178.44 181.34 2k35 n LYS 25 N -4.84 0.00 -3.70 0.12 5.02 -1.26 -4.35 118.16 109.15 2k35 n LYS 25 Ca -0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 2k35 n LYS 25 Cb 0.21 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.15 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 -0.26 0.09 4.39 0.01 -1.26 -4.58 113.70 108.09 2k35 s SER 26 Ca 0.00 0.08 -0.32 0.00 1.31 0.00 0.00 55.95 57.02 2k35 s SER 26 Cb 0.00 0.38 -0.14 0.00 0.21 0.00 0.00 66.02 66.47 2k35 s SER 26 CO 0.00 -0.57 1.51 0.00 0.41 0.00 0.00 173.24 174.59 2k35 h ASN 28 N -0.73 0.51 -0.08 0.00 -0.73 -1.85 -0.51 115.58 112.18 2k35 h ASN 28 Ca -0.02 -0.01 0.04 0.00 1.87 0.00 0.00 56.30 58.18 2k35 h ASN 28 Cb 0.71 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 39.14 2k35 h ASN 28 CO -0.23 0.37 -0.16 -0.78 -0.37 0.00 0.00 177.43 176.26 2k35 h ASP 29 N 0.62 -0.49 -0.42 1.15 3.58 -1.90 0.31 116.42 119.27 2k35 h ASP 29 Ca 0.18 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.63 2k35 h ASP 29 Cb -0.04 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2k35 h ASP 29 CO -0.06 -0.21 -0.05 0.03 -2.88 0.00 0.00 179.24 176.07 2k35 h ARG 30 N -0.22 0.77 -0.21 0.28 3.08 -1.01 -2.81 114.38 114.27 2k35 h ARG 30 Ca 0.08 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 2k35 h ARG 30 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2k35 h ARG 30 CO -0.21 0.88 -0.15 0.00 -1.07 0.00 0.00 179.97 179.41 2k35 h LYS 32 N 0.32 0.22 0.00 0.00 3.64 -0.22 -1.65 116.57 118.88 2k35 h LYS 32 Ca 0.06 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2k35 h LYS 32 Cb 0.47 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2k35 h LYS 32 CO 0.03 0.50 -0.05 0.93 -2.27 0.00 0.00 179.45 178.58 2k35 h GLU 33 N 0.20 0.00 -0.01 1.90 5.08 -1.15 -0.95 114.58 119.65 2k35 h GLU 33 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2k35 h GLU 33 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2k35 h GLU 33 CO 0.04 0.05 -0.03 1.28 -1.00 0.00 0.00 179.01 179.36 2k35 n LEU 34 N -3.21 0.97 0.00 1.33 4.77 -0.67 -4.89 117.00 115.30 2k35 n LEU 34 Ca -0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 2k35 n LEU 34 Cb 0.29 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2k35 n LEU 34 CO 0.28 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2k35 n GLY 35 N 1.16 1.29 3.78 -0.72 0.00 -0.36 -5.10 105.19 105.23 2k35 n GLY 35 Ca 0.19 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.49 2.26 0.00 1.61 3.00 -0.87 -5.01 118.95 118.44 2k35 s ARG 36 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 55.73 53.83 2k35 s ARG 36 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 34.95 32.95 2k35 s ARG 36 CO 0.00 -0.24 0.00 1.17 0.00 0.00 0.00 175.30 176.23 2k35 n LYS 37 N -1.37 2.87 -4.17 3.54 4.81 -0.99 -4.01 118.16 118.84 2k35 n LYS 37 Ca -0.02 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.18 2k35 n LYS 37 Cb 0.64 -0.93 -0.07 0.00 0.02 0.00 0.00 35.03 34.69 2k35 n LYS 37 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2k35 s ARG 38 N -1.86 2.29 -0.30 1.64 1.81 0.90 -4.95 118.95 118.49 2k35 s ARG 38 Ca 0.00 -1.59 -0.05 0.00 -1.72 0.00 0.00 55.73 52.37 2k35 s ARG 38 Cb 0.00 -2.11 0.18 0.00 -0.45 0.00 0.00 34.95 32.57 2k35 s ARG 38 CO 0.00 0.13 0.72 0.20 -0.68 0.00 0.00 175.30 175.67 2k35 s GLY 39 N -3.80 -0.82 0.39 -3.53 0.00 -1.26 -0.31 107.32 97.99 2k35 s GLY 39 Ca 0.37 2.12 0.08 0.00 0.00 0.00 0.00 44.72 47.28 2k35 s GLY 39 CO 0.22 3.47 0.05 -0.86 0.00 0.00 0.00 173.10 175.98 2k35 s GLN 40 N 2.88 2.06 -0.53 2.90 0.00 -0.67 -4.75 119.66 121.55 2k35 s GLN 40 Ca 0.14 -1.91 -0.20 0.00 -0.00 0.00 0.00 55.36 53.39 2k35 s GLN 40 Cb -0.14 -1.83 0.06 0.00 0.00 0.00 0.00 33.01 31.10 2k35 s GLN 40 CO -0.18 -0.00 0.67 0.00 0.00 0.00 0.00 175.29 175.78 2k35 s GLU 42 N 2.80 1.93 -1.16 0.00 0.41 0.16 -4.80 118.70 118.04 2k35 s GLU 42 Ca 0.16 -1.06 -0.20 0.00 -0.41 0.00 0.00 54.97 53.47 2k35 s GLU 42 Cb -0.19 -2.11 0.07 0.00 -1.78 0.00 0.00 34.13 30.12 2k35 s GLU 42 CO 0.12 0.52 1.56 -1.83 -0.49 0.00 0.00 175.26 175.14 2k35 s GLU 43 N -1.48 3.81 -0.42 1.61 -1.05 -1.26 0.10 118.70 120.01 2k35 s GLU 43 Ca 0.14 -1.67 -0.01 0.00 -0.15 0.00 0.00 54.97 53.28 2k35 s GLU 43 Cb -0.10 -5.40 0.11 0.00 -0.44 0.00 0.00 34.13 28.30 2k35 s GLU 43 CO 0.05 -2.18 0.20 0.15 0.95 0.00 0.00 175.26 174.43 2k35 s LYS 44 N 4.26 1.96 -0.03 -4.83 -0.14 -0.81 -4.91 119.74 115.24 2k35 s LYS 44 Ca 0.49 -1.93 0.03 0.00 -1.36 0.00 0.00 55.97 53.20 2k35 s LYS 44 Cb 0.01 -3.53 0.15 0.00 -1.68 0.00 0.00 37.83 32.78 2k35 s LYS 44 CO -0.01 -1.06 0.90 -0.35 -0.76 0.00 0.00 175.35 174.07 2k35 n PRO 45 N 4.38 1.58 -0.14 -1.68 -0.04 -1.26 -4.07 135.00 133.77 2k35 n PRO 45 Ca 0.00 -0.58 -0.10 0.00 -0.04 0.00 0.00 63.50 62.79 2k35 n PRO 45 Cb 0.41 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2k35 n PRO 45 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k35 h SER 46 N 0.81 0.62 -0.76 3.54 0.02 -1.94 -3.28 113.55 112.56 2k35 h SER 46 Ca 0.00 -0.25 -0.41 0.00 -0.84 0.00 0.00 61.79 60.29 2k35 h SER 46 Cb 0.54 -0.16 -0.41 0.00 0.14 0.00 0.00 62.40 62.50 2k35 h SER 46 CO 0.06 0.71 -0.97 -2.11 -1.14 0.00 0.00 176.83 173.37 2k35 n ARG 47 N -4.54 2.55 -3.82 3.45 1.85 -1.26 -5.00 116.66 109.89 2k35 n ARG 47 Ca -0.01 -3.84 -0.29 0.00 -1.00 0.00 0.00 57.85 52.71 2k35 n ARG 47 Cb 0.22 -1.88 -0.16 0.00 -1.05 0.00 0.00 32.46 29.59 2k35 n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k35 h PRO 49 N 8.06 0.00 -5.34 0.00 0.13 -1.94 -3.39 132.00 129.51 2k35 h PRO 49 Ca -0.15 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.32 2k35 h PRO 49 Cb 1.07 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.04 2k35 h PRO 49 CO 0.41 0.05 0.94 -0.51 -0.23 0.00 0.00 178.00 178.66 2k35 s LEU 50 N -6.34 4.59 0.36 1.56 1.43 -1.26 -4.84 118.68 114.19 2k35 s LEU 50 Ca 0.01 -1.74 0.16 0.00 -1.03 0.00 0.00 54.13 51.53 2k35 s LEU 50 Cb 0.09 -2.44 0.68 0.00 0.03 0.00 0.00 46.19 44.55 2k35 s LEU 50 CO 0.56 -1.23 1.75 0.28 0.23 0.00 0.00 176.35 177.94 2k35 h SER 51 N 9.17 0.00 0.28 2.29 0.02 -2.00 -0.20 113.55 123.11 2k35 h SER 51 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k35 h SER 51 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2k35 h SER 51 CO 1.19 0.41 0.00 1.17 -1.14 0.00 0.00 176.83 178.46 2k35 n LYS 52 N -3.73 0.35 0.00 3.45 0.00 -1.26 -4.19 118.16 112.79 2k35 n LYS 52 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 58.31 58.38 2k35 n LYS 52 Cb 0.49 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.02 2k35 n LYS 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k35 n LYS 53 N -1.22 0.00 0.00 1.64 5.02 -0.99 -4.89 118.16 117.73 2k35 n LYS 53 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2k35 n LYS 53 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 2k35 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k35 n ALA 54 N -2.05 0.00 -2.24 7.82 0.00 -0.12 -4.79 120.51 119.12 2k35 n ALA 54 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 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 -0.19 2.36 0.21 0.00 0.51 -1.17 -1.92 118.94 118.73 2k35 s TRP 55 Ca 0.00 0.68 0.03 0.00 -2.12 0.00 0.00 56.10 54.69 2k35 s TRP 55 Cb 0.00 -3.94 -0.05 0.00 -0.81 0.00 0.00 33.47 28.67 2k35 s TRP 55 CO 0.00 -2.43 0.00 -0.08 -0.51 0.00 0.00 176.95 173.93 2k35 s THR 56 N 4.79 0.87 -0.32 2.01 -1.32 0.11 0.31 115.64 122.10 2k35 s THR 56 Ca 0.65 -2.01 -0.29 0.00 -1.21 0.00 0.00 61.69 58.83 2k35 s THR 56 Cb -0.22 -2.25 0.01 0.00 -1.51 0.00 0.00 72.50 68.53 2k35 s THR 56 CO 0.26 -0.38 1.16 0.00 -2.21 0.00 0.00 174.62 173.45 2k35 s ILE 58 N 3.95 3.84 0.34 0.00 -1.09 0.13 -4.46 121.20 123.91 2k35 s ILE 58 Ca 0.49 -0.51 -0.28 0.00 -2.23 0.00 0.00 60.65 58.13 2k35 s ILE 58 Cb -0.13 -2.87 -0.09 0.00 -1.58 0.00 0.00 42.46 37.78 2k35 s ILE 58 CO 0.19 0.25 1.20 0.00 -1.23 0.00 0.00 174.94 175.36