#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 0.00 -3.52 5.09 -5.35 -1.26 -4.89 119.36 109.44 2k35 n ILE 2 Ca 0.00 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.28 2k35 n ILE 2 Cb 0.00 -0.51 0.01 0.00 -1.74 0.00 0.00 39.64 37.40 2k35 n ILE 2 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 2k35 n VAL 3 N 0.00 -5.59 -3.94 7.28 3.14 -1.26 -5.00 118.33 112.96 2k35 n VAL 3 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 2k35 n VAL 3 Cb 0.00 -4.28 -0.16 0.00 -1.06 0.00 0.00 33.84 28.34 2k35 n VAL 3 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 2k35 s ASP 4 N -2.75 2.82 -0.01 6.55 -4.77 -1.26 -4.61 116.67 112.64 2k35 s ASP 4 Ca 0.07 -0.62 -0.05 0.00 -3.30 0.00 0.00 52.55 48.65 2k35 s ASP 4 Cb -0.01 -1.02 0.00 0.00 -1.09 0.00 0.00 42.92 40.80 2k35 s ASP 4 CO 0.85 -0.14 0.09 0.00 0.70 0.00 0.00 175.17 176.67 2k35 n TRP 6 N 2.09 -1.25 0.00 0.00 7.02 0.20 -1.79 117.44 123.72 2k35 n TRP 6 Ca -0.19 -0.70 0.00 0.00 -1.02 0.00 0.00 57.50 55.59 2k35 n TRP 6 Cb 0.57 0.28 0.00 0.00 -2.42 0.00 0.00 31.31 29.74 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 -0.19 0.00 -2.01 -0.99 1.02 -1.26 -2.50 120.64 114.71 2k35 n GLU 7 Ca -0.02 0.12 -0.39 0.00 -0.02 0.00 0.00 57.16 56.85 2k35 n GLU 7 Cb 0.21 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 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 -0.89 2.54 0.14 2.62 2.01 -1.26 -4.76 115.64 116.04 2k35 s THR 8 Ca 0.00 0.46 -0.18 0.00 0.31 0.00 0.00 61.69 62.29 2k35 s THR 8 Cb 0.00 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.24 2k35 s THR 8 CO 0.00 0.05 1.72 -0.25 -0.69 0.00 0.00 174.62 175.46 2k35 h TRP 9 N 2.45 0.05 -0.16 4.92 7.01 -1.96 0.17 115.95 128.42 2k35 h TRP 9 Ca -0.50 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.43 2k35 h TRP 9 Cb 1.25 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.32 2k35 h TRP 9 CO 0.52 -0.01 -0.30 0.66 -2.79 0.00 0.00 178.44 176.52 2k35 h SER 10 N 0.13 0.31 0.10 2.65 4.64 -1.99 -2.49 113.55 116.90 2k35 h SER 10 Ca 0.13 -0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 2k35 h SER 10 Cb 0.15 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2k35 h SER 10 CO -0.19 0.61 -0.44 0.03 -0.87 0.00 0.00 176.83 175.96 2k35 h ARG 11 N 0.27 0.42 0.00 4.77 -0.00 -1.71 -2.27 114.38 115.87 2k35 h ARG 11 Ca 0.04 -0.22 -0.10 0.00 -0.50 0.00 0.00 59.98 59.19 2k35 h ARG 11 Cb 0.68 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.64 2k35 h ARG 11 CO 0.05 0.79 -0.48 0.00 0.00 0.00 0.00 179.97 180.33 2k35 n THR 13 N -3.82 0.41 -0.07 0.00 -2.24 -0.97 -4.24 114.28 103.35 2k35 n THR 13 Ca -0.01 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 2k35 n THR 13 Cb 0.52 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.13 0.65 -3.79 -0.78 4.76 -0.88 -2.38 118.16 113.61 2k35 n LYS 14 Ca 0.04 0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.31 2k35 n LYS 14 Cb 0.43 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.29 2k35 n LYS 14 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2k35 s TRP 15 N -2.31 2.07 -0.28 2.13 0.23 0.11 -4.20 118.94 116.70 2k35 s TRP 15 Ca -0.18 -0.70 0.01 0.00 -2.03 0.00 0.00 56.10 53.19 2k35 s TRP 15 Cb 0.05 -2.01 0.15 0.00 0.03 0.00 0.00 33.47 31.69 2k35 s TRP 15 CO 0.38 -0.31 0.38 -1.12 0.96 0.00 0.00 176.95 177.24 2k35 s SER 16 N -4.20 0.59 0.28 2.95 0.01 -1.26 -4.58 113.70 107.48 2k35 s SER 16 Ca 0.40 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2k35 s SER 16 Cb -0.02 1.00 0.00 0.00 0.21 0.00 0.00 66.02 67.21 2k35 s SER 16 CO 0.24 -0.35 0.00 0.00 0.41 0.00 0.00 173.24 173.54 2k35 n GLN 17 N 5.35 -1.79 -2.33 12.44 3.00 -0.74 -4.16 117.38 129.15 2k35 n GLN 17 Ca -0.01 1.33 -0.38 0.00 -0.01 0.00 0.00 57.00 57.93 2k35 n GLN 17 Cb 0.49 -2.14 -0.02 0.00 0.00 0.00 0.00 30.24 28.57 2k35 n GLN 17 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2k35 s GLY 18 N -6.21 2.85 0.00 1.08 0.00 -1.26 -3.29 107.32 100.49 2k35 s GLY 18 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.65 2k35 s GLY 18 CO 0.00 1.44 0.00 0.61 0.00 0.00 0.00 173.10 175.15 2k35 n GLY 19 N 0.61 2.23 4.49 0.20 0.00 -1.26 -4.70 105.19 106.75 2k35 n GLY 19 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 0.00 0.28 2.61 -1.04 -1.21 -4.71 114.28 110.22 2k35 n THR 20 Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.18 2k35 n THR 20 Cb 0.00 0.00 0.73 0.00 -1.82 0.00 0.00 70.33 69.24 2k35 n THR 20 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2k35 h GLY 21 N 0.00 0.00 0.40 3.41 0.00 -1.89 0.14 103.07 105.14 2k35 h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k35 h GLY 21 CO 0.00 0.00 -0.23 -1.30 0.00 0.00 0.00 176.54 175.01 2k35 n THR 22 N -3.16 0.00 0.00 4.70 -2.24 -1.26 -4.69 114.28 107.63 2k35 n THR 22 Ca -0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2k35 n THR 22 Cb 0.29 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 2k35 n THR 22 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2k35 n LEU 23 N -0.74 0.00 -0.99 3.22 7.99 -0.75 -4.82 117.00 120.92 2k35 n LEU 23 Ca 0.12 0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.25 2k35 n LEU 23 Cb 0.33 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.60 2k35 n LEU 23 CO 0.26 -0.10 -0.30 1.87 -1.51 0.00 0.00 177.39 177.61 2k35 n TRP 24 N -1.31 -2.55 -0.59 -1.77 -0.00 0.42 -4.47 117.44 107.16 2k35 n TRP 24 Ca 0.00 1.33 0.00 0.00 -0.00 0.00 0.00 57.50 58.83 2k35 n TRP 24 Cb 0.00 -2.32 0.00 0.00 -0.00 0.00 0.00 31.31 28.99 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 -3.67 -1.68 -2.03 5.87 5.02 -1.26 -4.71 118.16 115.69 2k35 n LYS 25 Ca -0.02 1.23 -0.38 0.00 -2.02 0.00 0.00 58.31 57.12 2k35 n LYS 25 Cb 0.46 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 34.11 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 -1.85 5.88 0.16 4.39 0.01 -1.26 -4.77 113.70 116.26 2k35 s SER 26 Ca 0.00 2.56 -0.16 0.00 1.31 0.00 0.00 55.95 59.67 2k35 s SER 26 Cb 0.00 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.69 2k35 s SER 26 CO 0.00 -1.14 1.74 0.00 0.41 0.00 0.00 173.24 174.25 2k35 h ASN 28 N 0.25 0.06 0.07 0.00 -1.24 -1.90 -1.00 115.58 111.81 2k35 h ASN 28 Ca 0.18 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 2k35 h ASN 28 Cb 0.18 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.22 2k35 h ASN 28 CO -0.20 0.26 -0.03 -0.78 -1.29 0.00 0.00 177.43 175.38 2k35 h ASP 29 N 0.06 -0.08 0.95 1.15 3.58 -1.62 -2.62 116.42 117.83 2k35 h ASP 29 Ca 0.01 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 2k35 h ASP 29 Cb 0.38 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 2k35 h ASP 29 CO 0.03 0.19 -0.08 0.08 -2.88 0.00 0.00 179.24 176.57 2k35 h ARG 30 N -0.34 0.00 -0.73 0.28 -0.00 -1.16 -2.71 114.38 109.71 2k35 h ARG 30 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.94 2k35 h ARG 30 Cb 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.24 2k35 h ARG 30 CO 0.02 0.08 0.32 0.00 -0.00 0.00 0.00 179.97 180.39 2k35 h LYS 32 N 1.05 0.77 0.00 0.00 1.57 -1.28 0.48 116.57 119.16 2k35 h LYS 32 Ca 0.25 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k35 h LYS 32 Cb 0.15 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2k35 h LYS 32 CO -0.03 0.85 -0.01 0.93 -0.57 0.00 0.00 179.45 180.62 2k35 h GLU 33 N 0.60 0.00 -0.09 3.15 5.08 -1.38 -1.47 114.58 120.48 2k35 h GLU 33 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2k35 h GLU 33 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2k35 h GLU 33 CO 0.03 0.01 0.00 1.47 -1.00 0.00 0.00 179.01 179.52 2k35 n LEU 34 N -3.19 2.91 0.00 1.33 -0.00 -0.77 -4.95 117.00 112.33 2k35 n LEU 34 Ca -0.02 -1.03 0.00 0.00 -0.00 0.00 0.00 56.01 54.96 2k35 n LEU 34 Cb 0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2k35 n LEU 34 CO 0.23 0.51 0.00 0.61 -0.00 0.00 0.00 177.39 178.75 2k35 n GLY 35 N 1.36 1.51 3.80 1.47 0.00 -0.55 -5.09 105.19 107.67 2k35 n GLY 35 Ca 0.15 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.11 2.21 -0.22 1.61 1.81 0.13 -5.01 118.95 118.37 2k35 s ARG 36 Ca 0.00 -2.28 -0.16 0.00 -1.72 0.00 0.00 55.73 51.57 2k35 s ARG 36 Cb 0.00 -1.70 -0.10 0.00 -0.45 0.00 0.00 34.95 32.71 2k35 s ARG 36 CO 0.00 -0.41 -0.25 1.17 -0.68 0.00 0.00 175.30 175.12 2k35 n LYS 37 N -1.39 0.55 -4.24 3.54 3.00 -0.71 -4.04 118.16 114.88 2k35 n LYS 37 Ca -0.14 0.32 -0.17 0.00 -0.00 0.00 0.00 58.31 58.32 2k35 n LYS 37 Cb 0.66 -1.53 -0.08 0.00 0.00 0.00 0.00 35.03 34.08 2k35 n LYS 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2k35 s ARG 38 N -2.59 1.69 -0.05 1.64 3.03 0.98 -4.75 118.95 118.90 2k35 s ARG 38 Ca -0.31 -1.91 0.06 0.00 2.03 0.00 0.00 55.73 55.60 2k35 s ARG 38 Cb 0.08 0.34 -0.01 0.00 -1.03 0.00 0.00 34.95 34.33 2k35 s ARG 38 CO 0.45 -0.63 -0.22 0.20 -1.13 0.00 0.00 175.30 173.97 2k35 s GLY 39 N -3.31 1.13 -0.14 3.88 0.00 -1.26 0.20 107.32 107.81 2k35 s GLY 39 Ca 0.39 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2k35 s GLY 39 CO 0.24 -0.57 -0.13 1.62 0.00 0.00 0.00 173.10 174.26 2k35 s GLN 40 N -0.16 2.12 -0.54 2.90 0.74 0.57 -4.87 119.66 120.42 2k35 s GLN 40 Ca -0.01 -0.51 -0.28 0.00 0.05 0.00 0.00 55.36 54.60 2k35 s GLN 40 Cb -0.12 -2.02 0.02 0.00 1.10 0.00 0.00 33.01 31.99 2k35 s GLN 40 CO 0.02 -0.25 1.33 0.00 -0.55 0.00 0.00 175.29 175.84 2k35 s GLU 42 N 5.20 2.08 -1.05 0.00 0.41 0.10 -4.82 118.70 120.61 2k35 s GLU 42 Ca 0.50 -1.76 -0.22 0.00 -0.41 0.00 0.00 54.97 53.08 2k35 s GLU 42 Cb -0.10 -1.92 0.07 0.00 -1.78 0.00 0.00 34.13 30.40 2k35 s GLU 42 CO 0.27 0.12 1.44 -2.00 -0.49 0.00 0.00 175.26 174.60 2k35 s GLU 43 N -3.72 3.66 -0.37 1.61 2.12 -1.26 -0.56 118.70 120.17 2k35 s GLU 43 Ca 0.35 -1.36 0.01 0.00 0.36 0.00 0.00 54.97 54.33 2k35 s GLU 43 Cb 0.00 -5.32 0.14 0.00 0.26 0.00 0.00 34.13 29.22 2k35 s GLU 43 CO 0.19 -2.15 0.22 0.15 -0.54 0.00 0.00 175.26 173.14 2k35 s LYS 44 N 4.49 0.71 0.00 4.30 -0.14 -0.70 -4.98 119.74 123.42 2k35 s LYS 44 Ca 0.45 -1.50 0.00 0.00 -1.36 0.00 0.00 55.97 53.56 2k35 s LYS 44 Cb -0.00 -1.51 0.00 0.00 -1.68 0.00 0.00 37.83 34.64 2k35 s LYS 44 CO -0.07 -1.21 0.44 -0.35 -0.76 0.00 0.00 175.35 173.40 2k35 n PRO 45 N 3.88 0.63 0.25 -1.68 -0.04 -1.19 -3.89 135.00 132.97 2k35 n PRO 45 Ca 0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 2k35 n PRO 45 Cb 0.37 -1.26 0.64 0.00 -0.04 0.00 0.00 33.50 33.21 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 0.52 0.00 0.00 3.54 0.02 -1.94 -3.05 113.55 112.64 2k35 h SER 46 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2k35 h SER 46 Cb 0.44 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.76 2k35 h SER 46 CO 0.00 0.16 -0.79 -2.11 -1.14 0.00 0.00 176.83 172.94 2k35 n ARG 47 N -3.54 0.61 -4.06 3.45 0.00 -1.25 -5.03 116.66 106.84 2k35 n ARG 47 Ca -0.01 -2.45 -0.32 0.00 -0.00 0.00 0.00 57.85 55.07 2k35 n ARG 47 Cb 0.30 -0.65 -0.16 0.00 -0.00 0.00 0.00 32.46 31.95 2k35 n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k35 n PRO 49 N 4.64 1.73 -3.55 0.00 -0.04 -1.26 -4.67 135.00 131.86 2k35 n PRO 49 Ca -0.18 -0.75 -0.13 0.00 -0.04 0.00 0.00 63.50 62.40 2k35 n PRO 49 Cb 0.48 -1.55 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 2k35 n PRO 49 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k35 s LEU 50 N -0.71 -0.39 0.53 1.53 1.43 -1.26 -5.02 118.68 114.80 2k35 s LEU 50 Ca 0.13 0.37 0.30 0.00 -1.03 0.00 0.00 54.13 53.90 2k35 s LEU 50 Cb 0.11 0.82 1.48 0.00 0.03 0.00 0.00 46.19 48.63 2k35 s LEU 50 CO 0.03 -0.27 2.06 0.28 0.23 0.00 0.00 176.35 178.69 2k35 h SER 51 N 8.25 0.00 0.87 2.29 0.02 -1.99 -1.72 113.55 121.28 2k35 h SER 51 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2k35 h SER 51 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2k35 h SER 51 CO 0.20 0.10 0.00 0.11 -1.14 0.00 0.00 176.83 176.10 2k35 h LYS 52 N 0.00 0.00 0.00 3.45 1.79 -1.98 -3.37 116.57 116.47 2k35 h LYS 52 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k35 h LYS 52 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2k35 h LYS 52 CO 0.01 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.01 2k35 n LYS 53 N -2.66 0.00 0.00 3.15 5.02 -0.68 -4.74 118.16 118.25 2k35 n LYS 53 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2k35 n LYS 53 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 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 -1.55 0.00 -2.32 7.82 0.00 -1.02 -4.60 120.51 118.83 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 -0.14 2.77 0.06 0.00 0.51 -1.04 -1.72 118.94 119.38 2k35 s TRP 55 Ca 0.00 0.88 0.07 0.00 -2.12 0.00 0.00 56.10 54.92 2k35 s TRP 55 Cb 0.00 -3.59 -0.03 0.00 -0.81 0.00 0.00 33.47 29.05 2k35 s TRP 55 CO 0.00 -2.13 -0.18 -0.08 -0.51 0.00 0.00 176.95 174.05 2k35 s THR 56 N 3.14 1.46 -0.42 2.01 -1.32 0.27 -0.62 115.64 120.16 2k35 s THR 56 Ca 0.60 -1.25 -0.21 0.00 -1.21 0.00 0.00 61.69 59.61 2k35 s THR 56 Cb -0.26 -1.32 0.02 0.00 -1.51 0.00 0.00 72.50 69.44 2k35 s THR 56 CO 0.21 0.03 0.66 0.00 -2.21 0.00 0.00 174.62 173.30 2k35 s ILE 58 N 2.85 5.31 -0.12 0.00 -1.09 0.69 -4.77 121.20 124.07 2k35 s ILE 58 Ca 0.24 0.51 -0.30 0.00 -2.23 0.00 0.00 60.65 58.87 2k35 s ILE 58 Cb -0.14 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 2k35 s ILE 58 CO 0.19 0.37 1.13 0.00 -1.23 0.00 0.00 174.94 175.40