#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 -1.75 5.09 -5.35 -1.26 -4.81 119.36 111.28 2k35 n ILE 2 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.46 2k35 n ILE 2 Cb 0.00 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 37.91 2k35 n ILE 2 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2k35 n VAL 3 N 0.00 -2.06 -3.99 7.28 0.31 -1.26 -4.90 118.33 113.70 2k35 n VAL 3 Ca 0.00 -0.18 -0.31 0.00 -0.01 0.00 0.00 64.34 63.84 2k35 n VAL 3 Cb 0.00 -3.46 -0.15 0.00 -0.91 0.00 0.00 33.84 29.32 2k35 n VAL 3 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2k35 s ASP 4 N -3.06 4.51 -0.06 4.52 1.01 -1.26 -2.19 116.67 120.13 2k35 s ASP 4 Ca 0.06 -1.81 0.03 0.00 0.71 0.00 0.00 52.55 51.54 2k35 s ASP 4 Cb -0.01 -1.47 0.01 0.00 1.01 0.00 0.00 42.92 42.46 2k35 s ASP 4 CO 0.10 -0.32 -0.15 0.00 0.21 0.00 0.00 175.17 175.01 2k35 s TRP 6 N 0.46 -0.47 0.19 0.00 0.52 -0.16 -2.20 118.94 117.28 2k35 s TRP 6 Ca -0.12 1.12 -0.12 0.00 0.02 0.00 0.00 56.10 57.00 2k35 s TRP 6 Cb -0.15 0.37 0.19 0.00 -1.15 0.00 0.00 33.47 32.73 2k35 s TRP 6 CO 0.04 -0.23 1.76 0.93 0.02 0.00 0.00 176.95 179.48 2k35 h GLU 7 N 4.34 0.42 -6.27 4.98 3.07 -1.84 -3.38 114.58 115.90 2k35 h GLU 7 Ca -0.28 -0.03 -0.55 0.00 -0.50 0.00 0.00 59.36 58.00 2k35 h GLU 7 Cb 1.18 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.98 2k35 h GLU 7 CO 0.12 0.28 0.92 0.99 -1.40 0.00 0.00 179.01 179.92 2k35 s THR 8 N -6.12 3.88 0.22 1.13 2.01 -1.26 -4.90 115.64 110.60 2k35 s THR 8 Ca -0.13 1.15 -0.10 0.00 0.31 0.00 0.00 61.69 62.92 2k35 s THR 8 Cb 0.15 -3.74 0.20 0.00 0.01 0.00 0.00 72.50 69.11 2k35 s THR 8 CO 0.74 -0.06 1.67 -0.25 -0.69 0.00 0.00 174.62 176.03 2k35 h TRP 9 N 8.42 0.04 -0.94 4.92 2.91 -1.99 0.31 115.95 129.62 2k35 h TRP 9 Ca -0.34 0.04 0.01 0.00 1.13 0.00 0.00 58.89 59.73 2k35 h TRP 9 Cb 1.15 0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.83 2k35 h TRP 9 CO 0.80 -0.13 0.62 0.77 -1.03 0.00 0.00 178.44 179.48 2k35 h SER 10 N 0.16 1.08 0.00 2.65 0.02 -1.93 -0.09 113.55 115.44 2k35 h SER 10 Ca 0.34 -0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 61.07 2k35 h SER 10 Cb 0.54 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2k35 h SER 10 CO -0.51 0.78 -0.67 0.03 -1.14 0.00 0.00 176.83 175.32 2k35 h ARG 11 N 1.27 0.62 0.00 3.45 3.08 -1.40 -1.30 114.38 120.11 2k35 h ARG 11 Ca 0.35 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 2k35 h ARG 11 Cb -0.14 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2k35 h ARG 11 CO -0.08 1.08 -0.27 0.00 -1.07 0.00 0.00 179.97 179.64 2k35 n THR 13 N -4.06 0.03 -3.13 0.00 -1.04 -0.09 -4.42 114.28 101.57 2k35 n THR 13 Ca -0.02 -0.03 -0.18 0.00 -2.04 0.00 0.00 64.05 61.79 2k35 n THR 13 Cb 0.33 0.17 -0.02 0.00 -1.82 0.00 0.00 70.33 68.99 2k35 n THR 13 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2k35 n LYS 14 N -1.56 0.94 -0.96 -2.82 4.81 -0.51 -0.78 118.16 117.28 2k35 n LYS 14 Ca 0.05 -3.18 0.00 0.00 -0.87 0.00 0.00 58.31 54.32 2k35 n LYS 14 Cb 0.35 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.83 2k35 n LYS 14 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 2k35 n TRP 15 N 0.47 0.00 0.00 5.64 -0.00 -0.88 -4.78 117.44 117.89 2k35 n TRP 15 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.72 2k35 n TRP 15 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.96 2k35 n TRP 15 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 2k35 n SER 16 N 0.00 0.32 -4.54 5.87 3.41 -1.26 -4.68 113.62 112.73 2k35 n SER 16 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2k35 n SER 16 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2k35 n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k35 s GLN 17 N 4.75 3.66 6.66 4.33 -2.07 -0.93 0.01 119.66 136.07 2k35 s GLN 17 Ca 0.00 -1.40 0.00 0.00 -1.82 0.00 0.00 55.36 52.14 2k35 s GLN 17 Cb 0.00 -5.30 0.00 0.00 -1.09 0.00 0.00 33.01 26.62 2k35 s GLN 17 CO 0.00 -2.13 0.00 0.41 -1.32 0.00 0.00 175.29 172.25 2k35 n GLY 18 N 6.35 1.25 2.39 2.60 0.00 -0.94 -3.88 105.19 112.97 2k35 n GLY 18 Ca 0.34 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 4.68 1.64 -0.02 0.00 -1.26 -4.76 105.19 105.47 2k35 n GLY 19 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 2.72 -7.56 0.00 2.61 -1.04 -1.26 -5.06 114.28 104.69 2k35 n THR 20 Ca 0.71 1.54 0.00 0.00 -2.04 0.00 0.00 64.05 64.27 2k35 n THR 20 Cb 0.24 -4.48 0.00 0.00 -1.82 0.00 0.00 70.33 64.27 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 0.89 0.00 0.00 3.41 0.00 -1.25 -4.88 105.19 103.35 2k35 n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k35 n GLY 21 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k35 n THR 22 N -2.39 0.00 0.00 2.61 -2.24 -1.26 -4.96 114.28 106.04 2k35 n THR 22 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k35 n THR 22 Cb 0.28 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 -0.97 0.00 0.00 3.22 4.32 -1.26 -5.12 117.00 117.19 2k35 n LEU 23 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2k35 n LEU 23 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2k35 n LEU 23 CO 0.00 0.00 0.00 1.87 -1.22 0.00 0.00 177.39 178.04 2k35 n TRP 24 N 0.00 0.00 -4.31 -1.77 -0.00 -1.26 -4.90 117.44 105.19 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 1.17 -0.00 0.00 0.00 177.69 178.86 2k35 n LYS 25 N 0.00 0.00 -4.39 5.87 4.81 -1.26 -4.74 118.16 118.45 2k35 n LYS 25 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 2k35 n LYS 25 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 2k35 n LYS 25 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2k35 s SER 26 N -4.00 3.92 0.51 3.14 1.04 -1.26 -2.83 113.70 114.23 2k35 s SER 26 Ca 0.00 -0.84 0.29 0.00 0.48 0.00 0.00 55.95 55.88 2k35 s SER 26 Cb 0.00 -0.50 1.31 0.00 0.10 0.00 0.00 66.02 66.93 2k35 s SER 26 CO 0.00 0.05 1.98 0.00 0.98 0.00 0.00 173.24 176.25 2k35 h ASN 28 N 0.00 0.42 0.28 0.00 -0.73 -1.92 -0.57 115.58 113.06 2k35 h ASN 28 Ca -0.00 -0.08 -0.18 0.00 1.87 0.00 0.00 56.30 57.91 2k35 h ASN 28 Cb 0.50 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 2k35 h ASN 28 CO 0.02 0.52 -0.71 -0.78 -0.37 0.00 0.00 177.43 176.10 2k35 h ASP 29 N 0.43 0.44 -0.14 1.15 3.58 -1.80 -1.08 116.42 119.00 2k35 h ASP 29 Ca 0.09 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 2k35 h ASP 29 Cb 0.35 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2k35 h ASP 29 CO 0.01 1.02 0.04 0.03 -2.88 0.00 0.00 179.24 177.46 2k35 h ARG 30 N 0.26 0.22 0.00 0.28 2.47 -1.24 -2.48 114.38 113.88 2k35 h ARG 30 Ca -0.03 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.59 2k35 h ARG 30 Cb 1.28 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 2k35 h ARG 30 CO 0.12 0.35 -0.25 0.00 0.56 0.00 0.00 179.97 180.75 2k35 h LYS 32 N 0.00 0.63 0.00 0.00 3.64 -0.73 -0.80 116.57 119.31 2k35 h LYS 32 Ca -0.00 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2k35 h LYS 32 Cb 0.61 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2k35 h LYS 32 CO 0.03 0.51 -0.08 0.93 -2.27 0.00 0.00 179.45 178.57 2k35 h GLU 33 N 0.63 0.00 -0.64 1.90 5.08 -1.22 -0.76 114.58 119.56 2k35 h GLU 33 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2k35 h GLU 33 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2k35 h GLU 33 CO -0.02 0.08 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 2k35 n LEU 34 N -3.65 4.48 -2.76 1.33 4.77 -0.37 -4.91 117.00 115.89 2k35 n LEU 34 Ca -0.02 -2.27 -0.20 0.00 -0.03 0.00 0.00 56.01 53.49 2k35 n LEU 34 Cb 0.19 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 40.74 2k35 n LEU 34 CO 0.29 0.67 0.01 0.61 -1.33 0.00 0.00 177.39 177.64 2k35 n GLY 35 N 0.87 -0.40 4.00 -0.72 0.00 -0.29 -5.00 105.19 103.65 2k35 n GLY 35 Ca 0.23 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.62 2.26 -0.10 1.61 1.81 -0.79 -5.02 118.95 113.10 2k35 s ARG 36 Ca 0.29 -1.78 -0.11 0.00 -1.72 0.00 0.00 55.73 52.40 2k35 s ARG 36 Cb -0.13 -2.48 -0.04 0.00 -0.45 0.00 0.00 34.95 31.86 2k35 s ARG 36 CO 0.36 -0.83 -0.22 1.63 -0.68 0.00 0.00 175.30 175.55 2k35 n LYS 37 N -2.13 0.34 -4.29 3.54 5.02 -1.26 -4.51 118.16 114.86 2k35 n LYS 37 Ca 0.11 0.13 -0.15 0.00 -2.02 0.00 0.00 58.31 56.38 2k35 n LYS 37 Cb 0.63 -1.07 -0.10 0.00 -0.02 0.00 0.00 35.03 34.46 2k35 n LYS 37 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2k35 s ARG 38 N -2.33 1.31 -0.02 1.97 1.70 -1.26 -4.87 118.95 115.44 2k35 s ARG 38 Ca -0.18 -1.68 0.03 0.00 -0.47 0.00 0.00 55.73 53.42 2k35 s ARG 38 Cb 0.03 -0.27 -0.00 0.00 -0.57 0.00 0.00 34.95 34.13 2k35 s ARG 38 CO 0.27 -0.23 -0.12 0.20 -1.08 0.00 0.00 175.30 174.34 2k35 s GLY 39 N -3.27 0.63 -0.14 3.88 0.00 -1.26 0.06 107.32 107.23 2k35 s GLY 39 Ca 0.33 -0.47 -0.00 0.00 0.00 0.00 0.00 44.72 44.58 2k35 s GLY 39 CO 0.10 -0.25 -0.13 -0.86 0.00 0.00 0.00 173.10 171.96 2k35 s GLN 40 N 0.02 3.34 -0.39 2.90 -2.07 0.15 -4.75 119.66 118.85 2k35 s GLN 40 Ca -0.01 -0.70 -0.28 0.00 -1.82 0.00 0.00 55.36 52.55 2k35 s GLN 40 Cb -0.08 -2.64 -0.03 0.00 -1.09 0.00 0.00 33.01 29.17 2k35 s GLN 40 CO 0.01 0.14 1.96 0.00 -1.32 0.00 0.00 175.29 176.07 2k35 s GLU 42 N 6.39 2.28 -0.04 0.00 2.02 0.17 -4.84 118.70 124.69 2k35 s GLU 42 Ca 0.83 -1.94 0.10 0.00 0.02 0.00 0.00 54.97 53.97 2k35 s GLU 42 Cb -0.21 -2.16 0.35 0.00 0.10 0.00 0.00 34.13 32.20 2k35 s GLU 42 CO 0.30 -0.59 1.21 -1.91 0.02 0.00 0.00 175.26 174.30 2k35 n GLU 43 N -1.77 2.19 -1.79 1.61 2.13 -1.26 -0.90 120.64 120.85 2k35 n GLU 43 Ca 0.00 -1.38 -0.43 0.00 0.66 0.00 0.00 57.16 56.01 2k35 n GLU 43 Cb 0.64 -1.48 -0.03 0.00 0.27 0.00 0.00 31.44 30.84 2k35 n GLU 43 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2k35 s LYS 44 N -1.63 3.46 -0.10 5.31 -0.14 -1.26 -4.68 119.74 120.69 2k35 s LYS 44 Ca 0.25 1.94 0.08 0.00 -1.36 0.00 0.00 55.97 56.88 2k35 s LYS 44 Cb 0.15 -4.24 0.42 0.00 -1.68 0.00 0.00 37.83 32.48 2k35 s LYS 44 CO 0.14 -1.72 1.18 -0.35 -0.76 0.00 0.00 175.35 173.84 2k35 n PRO 45 N 8.29 2.87 -0.13 -1.68 -0.04 -1.26 -4.23 135.00 138.83 2k35 n PRO 45 Ca 0.25 -1.62 -0.12 0.00 -0.04 0.00 0.00 63.50 61.96 2k35 n PRO 45 Cb 0.45 -1.81 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 2k35 n PRO 45 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2k35 h SER 46 N 2.14 0.86 -0.31 3.54 4.64 -2.00 -3.12 113.55 119.30 2k35 h SER 46 Ca 0.00 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2k35 h SER 46 Cb 1.16 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2k35 h SER 46 CO 0.22 1.10 0.00 0.54 -0.87 0.00 0.00 176.83 177.82 2k35 n ARG 47 N -4.22 2.29 -3.51 4.77 5.12 -1.26 -4.85 116.66 115.01 2k35 n ARG 47 Ca -0.02 -2.10 -0.42 0.00 -1.93 0.00 0.00 57.85 53.38 2k35 n ARG 47 Cb 0.45 -1.45 -0.09 0.00 -1.16 0.00 0.00 32.46 30.22 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 5.03 0.24 -3.64 0.00 -0.04 -1.26 -4.59 135.00 130.74 2k35 n PRO 49 Ca -0.11 0.31 -0.39 0.00 -0.04 0.00 0.00 63.50 63.28 2k35 n PRO 49 Cb 0.42 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 31.92 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 -4.56 4.09 0.45 1.53 1.43 -1.26 -4.96 118.68 115.40 2k35 s LEU 50 Ca 0.08 -0.44 0.29 0.00 -1.03 0.00 0.00 54.13 53.03 2k35 s LEU 50 Cb 0.11 -2.02 1.03 0.00 0.03 0.00 0.00 46.19 45.34 2k35 s LEU 50 CO 0.51 -0.17 1.84 0.28 0.23 0.00 0.00 176.35 179.04 2k35 h SER 51 N 8.36 0.00 0.56 2.29 0.02 -1.99 -2.59 113.55 120.21 2k35 h SER 51 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2k35 h SER 51 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2k35 h SER 51 CO 0.61 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.59 2k35 n LYS 52 N -2.89 0.30 -0.02 3.45 5.02 -1.26 -4.07 118.16 118.68 2k35 n LYS 52 Ca 0.02 0.05 -0.02 0.00 -2.02 0.00 0.00 58.31 56.33 2k35 n LYS 52 Cb 0.35 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.86 2k35 n LYS 52 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k35 n LYS 53 N -1.33 0.13 -4.11 1.97 4.01 -0.99 -4.81 118.16 113.03 2k35 n LYS 53 Ca 0.11 0.05 -0.28 0.00 -0.51 0.00 0.00 58.31 57.68 2k35 n LYS 53 Cb 0.22 -0.64 -0.05 0.00 -0.51 0.00 0.00 35.03 34.06 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 -3.07 -1.94 -3.32 7.82 0.00 -1.11 -4.44 120.51 114.44 2k35 n ALA 54 Ca -0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 2k35 n ALA 54 Cb 0.13 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 2k35 n ALA 54 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2k35 s TRP 55 N -4.04 -0.92 0.11 0.00 -0.11 -1.25 -4.27 118.94 108.45 2k35 s TRP 55 Ca 0.07 0.47 0.06 0.00 1.22 0.00 0.00 56.10 57.93 2k35 s TRP 55 Cb -0.04 -0.11 -0.04 0.00 -1.50 0.00 0.00 33.47 31.78 2k35 s TRP 55 CO 0.93 -0.90 -0.16 -0.08 -4.62 0.00 0.00 176.95 172.13 2k35 s THR 56 N 2.54 1.38 -0.48 5.86 -1.32 -0.08 -0.99 115.64 122.54 2k35 s THR 56 Ca 0.11 -1.60 -0.28 0.00 -1.21 0.00 0.00 61.69 58.71 2k35 s THR 56 Cb -0.13 -1.44 0.01 0.00 -1.51 0.00 0.00 72.50 69.43 2k35 s THR 56 CO -0.26 -0.30 1.36 0.00 -2.21 0.00 0.00 174.62 173.22 2k35 s ILE 58 N 5.48 5.26 0.09 0.00 -1.09 0.14 -4.72 121.20 126.38 2k35 s ILE 58 Ca 0.56 0.62 -0.31 0.00 -2.23 0.00 0.00 60.65 59.29 2k35 s ILE 58 Cb -0.11 -3.68 -0.09 0.00 -1.58 0.00 0.00 42.46 37.00 2k35 s ILE 58 CO 0.30 0.34 1.73 0.00 -1.23 0.00 0.00 174.94 176.07