#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k35 h ILE 2 N 0.00 0.55 -4.35 -0.39 1.08 -1.96 -3.48 117.51 108.96 2k35 h ILE 2 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2k35 h ILE 2 Cb 0.00 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.30 2k35 h ILE 2 CO 0.00 0.00 -0.63 0.52 -0.69 0.00 0.00 178.15 177.35 2k35 n VAL 3 N -5.31 -8.38 -3.17 1.67 0.31 -1.26 -4.85 118.33 97.34 2k35 n VAL 3 Ca -0.02 1.18 0.00 0.00 -0.01 0.00 0.00 64.34 65.49 2k35 n VAL 3 Cb 0.23 -5.87 0.00 0.00 -0.91 0.00 0.00 33.84 27.30 2k35 n VAL 3 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2k35 n ASP 4 N 0.45 0.58 -3.67 4.52 5.75 -1.26 -4.75 116.55 118.17 2k35 n ASP 4 Ca -0.00 -0.88 -0.12 0.00 -0.01 0.00 0.00 54.79 53.79 2k35 n ASP 4 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 2k35 n ASP 4 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k35 s TRP 6 N -3.02 2.48 0.15 0.00 -0.00 0.16 -3.56 118.94 115.15 2k35 s TRP 6 Ca -0.02 -0.49 0.00 0.00 -0.00 0.00 0.00 56.10 55.60 2k35 s TRP 6 Cb 0.00 -1.59 0.00 0.00 -0.00 0.00 0.00 33.47 31.89 2k35 s TRP 6 CO -0.06 -0.06 0.00 -1.91 -0.00 0.00 0.00 176.95 174.92 2k35 n GLU 7 N 2.65 0.00 -2.27 5.86 2.13 -1.26 -3.47 120.64 124.28 2k35 n GLU 7 Ca -0.17 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.33 2k35 n GLU 7 Cb 0.52 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.20 2k35 n GLU 7 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2k35 s THR 8 N -1.36 4.53 0.28 6.31 2.01 -1.26 -4.94 115.64 121.21 2k35 s THR 8 Ca 0.00 1.13 -0.05 0.00 0.31 0.00 0.00 61.69 63.08 2k35 s THR 8 Cb 0.00 -3.73 0.42 0.00 0.01 0.00 0.00 72.50 69.21 2k35 s THR 8 CO 0.00 -0.77 1.57 -0.25 -0.69 0.00 0.00 174.62 174.48 2k35 h TRP 9 N 0.64 -0.33 -0.49 4.92 7.01 -2.02 -0.08 115.95 125.61 2k35 h TRP 9 Ca -0.46 0.08 -0.29 0.00 2.11 0.00 0.00 58.89 60.33 2k35 h TRP 9 Cb 1.19 0.30 -0.18 0.00 -2.10 0.00 0.00 29.16 28.37 2k35 h TRP 9 CO 0.64 -0.42 -0.09 0.43 -2.79 0.00 0.00 178.44 176.21 2k35 n SER 10 N -5.56 3.29 0.13 2.65 7.64 -1.26 -4.68 113.62 115.83 2k35 n SER 10 Ca 0.18 -3.79 -0.02 0.00 1.01 0.00 0.00 58.87 56.25 2k35 n SER 10 Cb 0.58 -0.63 0.15 0.00 -1.01 0.00 0.00 64.21 63.29 2k35 n SER 10 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2k35 h ARG 11 N 1.26 0.01 0.00 1.43 9.65 -1.31 -3.12 114.38 122.30 2k35 h ARG 11 Ca 0.29 -0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.98 2k35 h ARG 11 Cb 1.61 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 30.15 2k35 h ARG 11 CO 0.57 0.66 -1.92 0.00 2.80 0.00 0.00 179.97 182.08 2k35 h THR 13 N 0.00 1.05 -0.53 0.00 2.02 -1.84 0.05 112.91 113.66 2k35 h THR 13 Ca -0.27 -0.11 -0.26 0.00 0.77 0.00 0.00 66.41 66.54 2k35 h THR 13 Cb 1.54 0.92 -0.39 0.00 -1.74 0.00 0.00 68.15 68.47 2k35 h THR 13 CO 0.01 0.04 -1.10 0.29 0.37 0.00 0.00 175.52 175.14 2k35 n LYS 14 N -5.00 1.59 0.00 6.66 4.76 -1.18 -4.09 118.16 120.90 2k35 n LYS 14 Ca -0.05 -3.36 0.00 0.00 -2.87 0.00 0.00 58.31 52.03 2k35 n LYS 14 Cb 0.04 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 2k35 n LYS 14 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 2k35 n TRP 15 N -0.52 0.00 0.00 2.13 7.02 -1.24 -4.91 117.44 119.92 2k35 n TRP 15 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 2k35 n TRP 15 Cb 0.81 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.70 2k35 n TRP 15 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2k35 n SER 16 N 0.00 0.00 -4.46 -0.99 2.88 -1.16 -4.22 113.62 105.68 2k35 n SER 16 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2k35 n SER 16 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2k35 n SER 16 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2k35 s GLN 17 N 3.42 3.30 6.94 -1.46 2.00 -1.26 -3.58 119.66 129.01 2k35 s GLN 17 Ca 0.00 -1.18 0.00 0.00 -2.00 0.00 0.00 55.36 52.18 2k35 s GLN 17 Cb 0.00 -4.52 0.00 0.00 0.80 0.00 0.00 33.01 29.29 2k35 s GLN 17 CO 0.00 -1.81 0.00 0.41 -0.50 0.00 0.00 175.29 173.39 2k35 n GLY 18 N 5.46 3.96 3.38 2.59 0.00 -1.26 -0.58 105.19 118.74 2k35 n GLY 18 Ca 0.07 0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 2k35 n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k35 s GLY 19 N 0.00 2.68 -1.29 -0.02 0.00 -1.26 -4.57 107.32 102.86 2k35 s GLY 19 Ca 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 44.72 41.27 2k35 s GLY 19 CO 0.00 1.59 0.99 2.41 0.00 0.00 0.00 173.10 178.09 2k35 n THR 20 N 3.94 -4.64 0.00 0.90 -1.04 -1.24 -4.98 114.28 107.21 2k35 n THR 20 Ca 0.24 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2k35 n THR 20 Cb 0.44 -4.35 0.00 0.00 -1.82 0.00 0.00 70.33 64.59 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 -1.48 -0.18 0.00 3.41 0.00 0.26 -4.71 105.19 102.49 2k35 n GLY 21 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.79 0.00 0.00 2.61 -1.04 -1.26 -4.91 114.28 108.89 2k35 n THR 22 Ca 0.00 0.91 0.00 0.00 -2.04 0.00 0.00 64.05 62.92 2k35 n THR 22 Cb 0.00 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 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 -1.57 0.00 0.00 -4.42 0.00 -1.26 -5.02 117.00 104.73 2k35 n LEU 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2k35 n LEU 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2k35 n LEU 23 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.39 179.26 2k35 n TRP 24 N 0.00 0.00 0.00 1.96 -0.00 -1.26 -4.71 117.44 113.43 2k35 n TRP 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2k35 n TRP 24 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 2k35 n TRP 24 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2k35 n LYS 25 N 0.00 0.00 -3.55 5.87 5.02 -1.26 -4.46 118.16 119.78 2k35 n LYS 25 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 2k35 n LYS 25 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2k35 n LYS 25 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2k35 s SER 26 N -4.00 -0.30 0.39 4.39 1.04 -1.26 -4.12 113.70 109.84 2k35 s SER 26 Ca 0.00 0.13 0.07 0.00 0.48 0.00 0.00 55.95 56.62 2k35 s SER 26 Cb 0.00 0.29 0.80 0.00 0.10 0.00 0.00 66.02 67.21 2k35 s SER 26 CO 0.00 -0.42 2.00 0.00 0.98 0.00 0.00 173.24 175.80 2k35 h ASN 28 N 0.66 -0.15 -0.79 0.00 -1.24 -1.85 -2.75 115.58 109.46 2k35 h ASN 28 Ca 0.24 -0.26 0.01 0.00 0.71 0.00 0.00 56.30 57.00 2k35 h ASN 28 Cb 0.13 0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 2k35 h ASN 28 CO -0.07 0.19 0.52 -0.78 -1.29 0.00 0.00 177.43 176.01 2k35 h ASP 29 N -0.51 0.92 -0.49 1.15 1.82 -1.85 -0.66 116.42 116.80 2k35 h ASP 29 Ca -0.02 -0.03 0.07 0.00 -0.39 0.00 0.00 57.03 56.66 2k35 h ASP 29 Cb 0.40 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 2k35 h ASP 29 CO 0.03 0.67 0.33 -0.09 -1.61 0.00 0.00 179.24 178.57 2k35 h ARG 30 N 1.08 0.37 0.00 0.28 1.12 -0.81 -0.65 114.38 115.77 2k35 h ARG 30 Ca 0.29 -0.02 -0.22 0.00 -1.11 0.00 0.00 59.98 58.91 2k35 h ARG 30 Cb -0.11 -0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 29.73 2k35 h ARG 30 CO -0.06 0.25 -1.30 0.00 -3.11 0.00 0.00 179.97 175.75 2k35 h LYS 32 N 0.00 0.91 0.00 0.00 1.79 0.16 -2.18 116.57 117.26 2k35 h LYS 32 Ca -0.15 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2k35 h LYS 32 Cb 1.79 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.37 2k35 h LYS 32 CO 0.09 0.96 0.00 -0.85 -1.08 0.00 0.00 179.45 178.56 2k35 n GLU 33 N -4.28 0.23 0.00 3.15 0.28 -0.38 -1.60 120.64 118.04 2k35 n GLU 33 Ca 0.01 0.13 0.12 0.00 -0.16 0.00 0.00 57.16 57.26 2k35 n GLU 33 Cb 0.34 -1.50 0.11 0.00 1.43 0.00 0.00 31.44 31.82 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 -1.28 2.87 0.00 -1.84 4.77 -0.86 -4.75 117.00 115.90 2k35 n LEU 34 Ca 0.08 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 2k35 n LEU 34 Cb 0.13 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2k35 n LEU 34 CO 0.12 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2k35 n GLY 35 N 1.35 0.50 3.99 -0.72 0.00 -0.63 -5.05 105.19 104.63 2k35 n GLY 35 Ca 0.14 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.32 1.58 -0.25 1.61 1.81 -0.93 -5.05 118.95 116.39 2k35 s ARG 36 Ca 0.00 -1.11 -0.15 0.00 -1.72 0.00 0.00 55.73 52.75 2k35 s ARG 36 Cb 0.00 -2.30 -0.15 0.00 -0.45 0.00 0.00 34.95 32.04 2k35 s ARG 36 CO 0.00 -1.53 -0.13 1.63 -0.68 0.00 0.00 175.30 174.58 2k35 n LYS 37 N -2.90 0.60 -4.10 3.54 5.02 -1.26 -4.62 118.16 114.44 2k35 n LYS 37 Ca 0.15 0.35 -0.15 0.00 -2.02 0.00 0.00 58.31 56.64 2k35 n LYS 37 Cb 0.61 -1.58 -0.04 0.00 -0.02 0.00 0.00 35.03 33.99 2k35 n LYS 37 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2k35 s ARG 38 N -2.47 1.96 -0.03 1.97 0.52 -1.26 -4.92 118.95 114.72 2k35 s ARG 38 Ca -0.35 -1.81 -0.07 0.00 -0.52 0.00 0.00 55.73 52.98 2k35 s ARG 38 Cb 0.11 0.44 0.01 0.00 0.52 0.00 0.00 34.95 36.04 2k35 s ARG 38 CO 0.55 -0.81 0.17 0.20 0.02 0.00 0.00 175.30 175.42 2k35 s GLY 39 N -3.26 -0.05 -0.08 -3.53 0.00 -1.26 -1.37 107.32 97.76 2k35 s GLY 39 Ca 0.31 0.20 -0.01 0.00 0.00 0.00 0.00 44.72 45.23 2k35 s GLY 39 CO 0.22 0.09 -0.03 1.62 0.00 0.00 0.00 173.10 175.00 2k35 s GLN 40 N -0.70 0.93 -0.62 2.90 2.00 0.05 -4.85 119.66 119.37 2k35 s GLN 40 Ca -0.08 -0.02 -0.26 0.00 -2.00 0.00 0.00 55.36 52.99 2k35 s GLN 40 Cb -0.05 -1.17 -0.03 0.00 0.80 0.00 0.00 33.01 32.57 2k35 s GLN 40 CO 0.01 -0.28 1.93 0.00 -0.50 0.00 0.00 175.29 176.46 2k35 s GLU 42 N 7.19 2.24 -1.14 0.00 0.41 0.13 -4.81 118.70 122.72 2k35 s GLU 42 Ca 0.71 -2.30 -0.16 0.00 -0.41 0.00 0.00 54.97 52.81 2k35 s GLU 42 Cb -0.13 -1.75 0.14 0.00 -1.78 0.00 0.00 34.13 30.61 2k35 s GLU 42 CO 0.20 -0.53 1.40 -2.00 -0.49 0.00 0.00 175.26 173.83 2k35 s GLU 43 N -4.08 3.92 -0.49 1.61 2.12 -1.26 -0.06 118.70 120.45 2k35 s GLU 43 Ca 0.13 -2.19 0.03 0.00 0.36 0.00 0.00 54.97 53.30 2k35 s GLU 43 Cb -0.01 -5.11 0.16 0.00 0.26 0.00 0.00 34.13 29.42 2k35 s GLU 43 CO 0.09 -1.87 0.33 0.15 -0.54 0.00 0.00 175.26 173.42 2k35 s LYS 44 N 2.46 1.41 0.42 4.30 -0.14 -1.21 -4.94 119.74 122.03 2k35 s LYS 44 Ca 0.42 -2.33 0.28 0.00 -1.36 0.00 0.00 55.97 52.99 2k35 s LYS 44 Cb -0.02 -2.24 1.52 0.00 -1.68 0.00 0.00 37.83 35.41 2k35 s LYS 44 CO -0.02 -1.27 1.87 -1.35 -0.76 0.00 0.00 175.35 173.82 2k35 h PRO 45 N 6.06 0.00 0.00 -1.68 0.11 -1.71 -2.05 132.00 132.74 2k35 h PRO 45 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2k35 h PRO 45 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2k35 h PRO 45 CO 0.49 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.05 2k35 h SER 46 N 0.00 0.00 -0.18 -2.05 0.02 -1.93 -2.12 113.55 107.29 2k35 h SER 46 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2k35 h SER 46 Cb 0.03 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 2k35 h SER 46 CO 0.00 0.00 -0.21 0.54 -1.14 0.00 0.00 176.83 176.02 2k35 n ARG 47 N -2.82 1.78 -3.78 3.45 5.12 -0.77 -4.92 116.66 114.71 2k35 n ARG 47 Ca -0.00 -3.13 -0.29 0.00 -1.93 0.00 0.00 57.85 52.50 2k35 n ARG 47 Cb 0.19 -1.71 -0.16 0.00 -1.16 0.00 0.00 32.46 29.62 2k35 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k35 n PRO 49 N 4.93 0.67 -3.70 0.00 -0.04 -1.26 -4.57 135.00 131.03 2k35 n PRO 49 Ca -0.09 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.13 2k35 n PRO 49 Cb 0.46 -1.17 -0.17 0.00 -0.04 0.00 0.00 33.50 32.57 2k35 n PRO 49 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k35 s LEU 50 N -0.49 0.60 -1.20 1.53 2.96 -1.26 -5.06 118.68 115.77 2k35 s LEU 50 Ca 0.00 -0.39 -0.19 0.00 -0.22 0.00 0.00 54.13 53.32 2k35 s LEU 50 Cb 0.00 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 2k35 s LEU 50 CO 0.00 -0.28 1.92 -1.54 -1.32 0.00 0.00 176.35 175.13 2k35 n SER 51 N 5.18 3.74 0.00 3.68 3.41 -1.26 -3.27 113.62 125.10 2k35 n SER 51 Ca -0.07 -2.79 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 2k35 n SER 51 Cb 0.49 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 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 7.69 0.00 -0.03 4.33 4.76 -1.26 -4.98 118.16 128.67 2k35 n LYS 52 Ca 0.48 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.85 2k35 n LYS 52 Cb 0.44 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.56 2k35 n LYS 52 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2k35 h LYS 53 N 0.00 -0.06 0.00 1.97 6.56 -1.81 -3.47 116.57 119.76 2k35 h LYS 53 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2k35 h LYS 53 Cb 0.00 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 2k35 h LYS 53 CO 0.00 0.40 0.00 0.00 -2.06 0.00 0.00 179.45 177.79 2k35 n ALA 54 N -2.67 0.00 -1.60 3.86 0.00 -1.25 -4.69 120.51 114.17 2k35 n ALA 54 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 2k35 n ALA 54 Cb 0.24 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.73 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 2.48 0.09 0.00 0.51 -1.23 -1.86 118.94 118.93 2k35 s TRP 55 Ca 0.00 1.55 -0.25 0.00 -2.12 0.00 0.00 56.10 55.28 2k35 s TRP 55 Cb 0.00 -3.32 0.08 0.00 -0.81 0.00 0.00 33.47 29.42 2k35 s TRP 55 CO 0.00 -1.94 0.73 -0.08 -0.51 0.00 0.00 176.95 175.15 2k35 s THR 56 N -1.97 0.00 -0.21 2.01 -1.32 0.92 0.38 115.64 115.44 2k35 s THR 56 Ca 0.72 -0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.87 2k35 s THR 56 Cb -0.25 -1.04 -0.00 0.00 -1.51 0.00 0.00 72.50 69.69 2k35 s THR 56 CO 0.37 0.00 1.18 0.00 -2.21 0.00 0.00 174.62 173.96 2k35 s ILE 58 N 3.49 4.96 0.12 0.00 -1.09 0.20 -4.76 121.20 124.12 2k35 s ILE 58 Ca 0.51 1.25 -0.19 0.00 -2.23 0.00 0.00 60.65 59.99 2k35 s ILE 58 Cb -0.18 -3.98 -0.07 0.00 -1.58 0.00 0.00 42.46 36.64 2k35 s ILE 58 CO 0.13 0.03 0.62 0.00 -1.23 0.00 0.00 174.94 174.49