#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 -4.13 5.09 2.08 -1.26 -4.90 119.36 116.24 2k35 n ILE 2 Ca 0.00 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.02 2k35 n ILE 2 Cb 0.00 -0.23 -0.05 0.00 -0.75 0.00 0.00 39.64 38.61 2k35 n ILE 2 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2k35 n VAL 3 N 0.00 -2.01 -3.64 1.39 0.31 -1.26 -4.94 118.33 108.18 2k35 n VAL 3 Ca 0.00 -0.40 -0.08 0.00 -0.01 0.00 0.00 64.34 63.85 2k35 n VAL 3 Cb 0.00 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 30.94 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 -4.16 -0.66 0.78 4.52 2.15 -1.10 -4.73 116.67 113.46 2k35 s ASP 4 Ca 0.15 1.15 -0.06 0.00 0.43 0.00 0.00 52.55 54.22 2k35 s ASP 4 Cb -0.08 1.22 0.14 0.00 -0.30 0.00 0.00 42.92 43.89 2k35 s ASP 4 CO 0.93 -0.19 1.08 0.00 -0.17 0.00 0.00 175.17 176.83 2k35 s TRP 6 N -3.36 1.44 0.00 0.00 0.52 0.33 -4.61 118.94 113.26 2k35 s TRP 6 Ca 0.67 -1.49 0.00 0.00 0.02 0.00 0.00 56.10 55.30 2k35 s TRP 6 Cb -0.06 -0.50 0.00 0.00 -1.15 0.00 0.00 33.47 31.77 2k35 s TRP 6 CO 0.47 -0.91 0.00 -1.91 0.02 0.00 0.00 176.95 174.62 2k35 n GLU 7 N -0.54 0.00 -1.26 4.98 2.13 -0.52 -2.45 120.64 122.97 2k35 n GLU 7 Ca 0.05 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.63 2k35 n GLU 7 Cb 0.63 0.00 0.17 0.00 0.27 0.00 0.00 31.44 32.51 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 -0.13 6.31 -2.24 -1.26 -4.50 114.28 112.46 2k35 n THR 8 Ca 0.00 -0.64 -0.04 0.00 -2.27 0.00 0.00 64.05 61.10 2k35 n THR 8 Cb 0.00 -1.47 0.02 0.00 -2.10 0.00 0.00 70.33 66.78 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 -1.90 -0.21 0.00 4.78 7.01 -1.96 0.67 115.95 124.34 2k35 h TRP 9 Ca -0.33 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.71 2k35 h TRP 9 Cb 0.95 0.16 0.00 0.00 -2.10 0.00 0.00 29.16 28.17 2k35 h TRP 9 CO 0.00 -0.18 0.00 0.77 -2.79 0.00 0.00 178.44 176.24 2k35 h SER 10 N 0.01 0.00 -0.61 2.65 0.02 -1.99 -2.99 113.55 110.63 2k35 h SER 10 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2k35 h SER 10 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2k35 h SER 10 CO -0.43 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 175.80 2k35 n ARG 11 N -3.02 3.06 -0.00 3.45 5.12 -0.05 -3.04 116.66 122.17 2k35 n ARG 11 Ca 0.03 -2.61 0.00 0.00 -1.93 0.00 0.00 57.85 53.33 2k35 n ARG 11 Cb 0.43 -1.61 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 2k35 n ARG 11 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k35 n THR 13 N -0.33 0.00 -2.94 0.00 -2.24 -1.22 -4.31 114.28 103.24 2k35 n THR 13 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 2k35 n THR 13 Cb 0.18 -1.31 -0.04 0.00 -2.10 0.00 0.00 70.33 67.07 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 -2.90 3.26 -1.45 -0.78 5.02 -1.17 -3.92 118.16 116.23 2k35 n LYS 14 Ca 0.00 -4.87 -0.05 0.00 -2.02 0.00 0.00 58.31 51.37 2k35 n LYS 14 Cb 0.43 -2.24 -0.02 0.00 -0.02 0.00 0.00 35.03 33.19 2k35 n LYS 14 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2k35 n TRP 15 N -0.25 -0.47 -2.00 2.13 -0.00 -1.26 -4.82 117.44 110.77 2k35 n TRP 15 Ca 0.31 -0.82 -0.42 0.00 -0.00 0.00 0.00 57.50 56.58 2k35 n TRP 15 Cb 0.39 0.71 -0.03 0.00 -0.00 0.00 0.00 31.31 32.38 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 -1.12 6.65 0.00 5.87 0.01 -1.26 -2.09 113.70 121.75 2k35 s SER 16 Ca 0.04 2.58 0.00 0.00 1.31 0.00 0.00 55.95 59.88 2k35 s SER 16 Cb 0.13 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2k35 s SER 16 CO -0.04 -0.76 0.00 0.00 0.41 0.00 0.00 173.24 172.85 2k35 n GLN 17 N 3.56 0.00 0.00 12.44 10.64 -1.26 -1.84 117.38 140.92 2k35 n GLN 17 Ca 0.12 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 2k35 n GLN 17 Cb 0.40 -3.18 0.00 0.00 -0.86 0.00 0.00 30.24 26.59 2k35 n GLN 17 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k35 n GLY 18 N -2.00 2.19 0.16 2.61 0.00 -0.89 -4.58 105.19 102.67 2k35 n GLY 18 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2k35 n GLY 18 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k35 h GLY 19 N 0.00 0.00 -4.35 -0.02 0.00 -1.85 -3.47 103.07 93.38 2k35 h GLY 19 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 2k35 h GLY 19 CO 0.00 0.00 -0.55 2.41 0.00 0.00 0.00 176.54 178.40 2k35 n THR 20 N -3.92 -1.47 -0.01 4.70 -1.04 -0.77 -4.90 114.28 106.87 2k35 n THR 20 Ca -0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.98 2k35 n THR 20 Cb 0.53 -2.87 -0.01 0.00 -1.82 0.00 0.00 70.33 66.17 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 -1.29 -0.38 0.09 3.41 0.00 -1.26 -4.60 105.19 101.17 2k35 n GLY 21 Ca -0.12 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 2k35 n GLY 21 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k35 h THR 22 N -0.19 1.36 -2.19 2.61 2.02 -1.93 -3.38 112.91 111.21 2k35 h THR 22 Ca 0.00 -2.33 -0.75 0.00 0.77 0.00 0.00 66.41 64.11 2k35 h THR 22 Cb 0.19 2.89 -0.31 0.00 -1.74 0.00 0.00 68.15 69.19 2k35 h THR 22 CO 0.00 0.55 0.60 0.18 0.37 0.00 0.00 175.52 177.22 2k35 n LEU 23 N -4.38 6.65 0.00 2.58 4.77 -1.26 -4.73 117.00 120.63 2k35 n LEU 23 Ca -0.20 -5.37 0.04 0.00 -0.03 0.00 0.00 56.01 50.45 2k35 n LEU 23 Cb 0.65 -0.99 0.23 0.00 -2.33 0.00 0.00 43.42 40.98 2k35 n LEU 23 CO 0.32 2.09 0.63 -2.67 -1.33 0.00 0.00 177.39 176.43 2k35 n TRP 24 N -0.18 0.00 -1.53 -1.77 4.27 -1.26 -4.07 117.44 112.90 2k35 n TRP 24 Ca 0.44 0.00 -0.53 0.00 -3.89 0.00 0.00 57.50 53.52 2k35 n TRP 24 Cb 0.30 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.18 2k35 n TRP 24 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 2k35 n LYS 25 N -0.62 1.14 -1.11 -2.67 4.81 -1.26 -4.65 118.16 113.79 2k35 n LYS 25 Ca 0.06 0.36 -0.33 0.00 -0.87 0.00 0.00 58.31 57.53 2k35 n LYS 25 Cb 0.03 -2.32 0.12 0.00 0.02 0.00 0.00 35.03 32.88 2k35 n LYS 25 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2k35 s SER 26 N 5.87 3.69 0.23 3.14 0.01 -1.26 -4.70 113.70 120.68 2k35 s SER 26 Ca 1.05 2.25 -0.07 0.00 1.31 0.00 0.00 55.95 60.49 2k35 s SER 26 Cb -0.94 -2.57 0.26 0.00 0.21 0.00 0.00 66.02 62.97 2k35 s SER 26 CO 0.55 -2.60 1.87 0.00 0.41 0.00 0.00 173.24 173.48 2k35 h ASN 28 N 1.05 -0.62 -0.61 0.00 -1.24 -1.90 0.10 115.58 112.36 2k35 h ASN 28 Ca 0.34 0.10 -0.07 0.00 0.71 0.00 0.00 56.30 57.38 2k35 h ASN 28 Cb 0.02 0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 2k35 h ASN 28 CO -0.12 -0.26 0.11 -0.78 -1.29 0.00 0.00 177.43 175.09 2k35 h ASP 29 N -0.28 0.98 -0.60 1.15 3.58 -1.85 0.01 116.42 119.41 2k35 h ASP 29 Ca 0.09 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2k35 h ASP 29 Cb 0.40 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 2k35 h ASP 29 CO -0.25 0.97 0.39 0.03 -2.88 0.00 0.00 179.24 177.51 2k35 h ARG 30 N 0.97 0.81 0.05 0.28 3.08 -0.44 -0.92 114.38 118.21 2k35 h ARG 30 Ca 0.20 -0.05 -0.25 0.00 0.07 0.00 0.00 59.98 59.95 2k35 h ARG 30 Cb 0.41 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2k35 h ARG 30 CO 0.01 0.54 -1.18 0.00 -1.07 0.00 0.00 179.97 178.27 2k35 h LYS 32 N 0.03 0.56 0.00 0.00 1.57 -0.16 0.85 116.57 119.41 2k35 h LYS 32 Ca -0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2k35 h LYS 32 Cb 1.88 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.08 2k35 h LYS 32 CO 0.15 0.44 0.00 1.05 -0.57 0.00 0.00 179.45 180.53 2k35 h GLU 33 N 0.52 0.00 -0.01 3.15 4.11 -1.30 -1.37 114.58 119.68 2k35 h GLU 33 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2k35 h GLU 33 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k35 h GLU 33 CO -0.02 0.00 -0.24 1.28 0.07 0.00 0.00 179.01 180.09 2k35 n LEU 34 N -2.59 1.21 -0.06 3.06 4.77 -0.70 -4.88 117.00 117.81 2k35 n LEU 34 Ca 0.01 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2k35 n LEU 34 Cb 0.23 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2k35 n LEU 34 CO 0.21 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2k35 n GLY 35 N 1.33 1.18 3.65 -0.72 0.00 -0.52 -5.08 105.19 105.03 2k35 n GLY 35 Ca 0.13 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.35 2.04 -0.18 1.61 1.81 0.21 -5.01 118.95 117.08 2k35 s ARG 36 Ca 0.00 -2.25 -0.14 0.00 -1.72 0.00 0.00 55.73 51.62 2k35 s ARG 36 Cb 0.00 -1.28 -0.08 0.00 -0.45 0.00 0.00 34.95 33.14 2k35 s ARG 36 CO 0.00 -0.31 -0.17 1.63 -0.68 0.00 0.00 175.30 175.77 2k35 n LYS 37 N -1.07 0.51 -3.04 3.54 5.02 -1.24 -3.88 118.16 117.99 2k35 n LYS 37 Ca -0.12 0.43 -0.09 0.00 -2.02 0.00 0.00 58.31 56.51 2k35 n LYS 37 Cb 0.66 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 2k35 n LYS 37 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2k35 n ARG 38 N -4.50 0.25 -4.12 1.97 1.85 -1.26 -4.68 116.66 106.17 2k35 n ARG 38 Ca -0.19 -1.62 -0.19 0.00 -1.00 0.00 0.00 57.85 54.85 2k35 n ARG 38 Cb 0.47 1.38 -0.16 0.00 -1.05 0.00 0.00 32.46 33.11 2k35 n ARG 38 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2k35 s GLY 39 N -2.16 0.40 -0.44 2.89 0.00 -1.26 0.41 107.32 107.16 2k35 s GLY 39 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 44.72 44.75 2k35 s GLY 39 CO 0.13 0.45 0.40 1.20 0.00 0.00 0.00 173.10 175.29 2k35 s GLN 40 N 0.90 3.02 -0.43 2.90 -1.52 0.96 -4.74 119.66 120.76 2k35 s GLN 40 Ca -0.11 -1.01 -0.27 0.00 -1.95 0.00 0.00 55.36 52.02 2k35 s GLN 40 Cb -0.14 -4.03 -0.06 0.00 -0.22 0.00 0.00 33.01 28.56 2k35 s GLN 40 CO -0.00 -0.90 2.30 0.00 -0.25 0.00 0.00 175.29 176.44 2k35 n GLU 42 N 8.94 2.79 0.00 0.00 2.13 0.54 -4.89 120.64 130.16 2k35 n GLU 42 Ca 0.33 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2k35 n GLU 42 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 2k35 n GLU 42 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k35 n GLU 43 N -0.01 0.00 -3.82 5.31 2.13 -1.26 0.09 120.64 123.07 2k35 n GLU 43 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 2k35 n GLU 43 Cb 0.00 -0.29 0.00 0.00 0.27 0.00 0.00 31.44 31.42 2k35 n GLU 43 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k35 n LYS 44 N -0.15 -1.40 -0.86 5.31 4.76 -1.26 -0.29 118.16 124.27 2k35 n LYS 44 Ca 0.00 0.68 -0.09 0.00 -2.87 0.00 0.00 58.31 56.03 2k35 n LYS 44 Cb 0.00 -2.31 -0.13 0.00 -1.84 0.00 0.00 35.03 30.76 2k35 n LYS 44 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2k35 n PRO 45 N -2.89 1.72 -0.01 1.97 -0.04 -1.21 -3.78 135.00 130.75 2k35 n PRO 45 Ca -0.30 -0.74 0.02 0.00 -0.04 0.00 0.00 63.50 62.44 2k35 n PRO 45 Cb 0.68 -1.75 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 2k35 n PRO 45 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k35 n SER 46 N 2.26 1.54 -1.96 3.54 7.64 -1.26 -4.62 113.62 120.75 2k35 n SER 46 Ca 0.32 -1.35 -0.05 0.00 1.01 0.00 0.00 58.87 58.80 2k35 n SER 46 Cb 0.80 -0.02 0.06 0.00 -1.01 0.00 0.00 64.21 64.05 2k35 n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k35 n ARG 47 N 0.13 1.92 -3.77 1.43 1.74 -1.25 -4.99 116.66 111.87 2k35 n ARG 47 Ca 0.03 -3.37 -0.36 0.00 -0.77 0.00 0.00 57.85 53.38 2k35 n ARG 47 Cb 0.14 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 29.98 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 7.35 0.00 -5.71 0.00 0.13 -1.94 -3.48 132.00 128.36 2k35 h PRO 49 Ca -0.06 -0.01 -0.47 0.00 -0.87 0.00 0.00 66.00 64.59 2k35 h PRO 49 Cb 0.98 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.91 2k35 h PRO 49 CO 0.70 0.66 -0.79 -0.51 -0.23 0.00 0.00 178.00 177.82 2k35 s LEU 50 N -6.30 2.32 0.00 1.56 1.43 -1.26 -5.09 118.68 111.34 2k35 s LEU 50 Ca -0.03 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 2k35 s LEU 50 Cb 0.09 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.63 2k35 s LEU 50 CO 0.82 -0.03 0.00 -1.20 0.23 0.00 0.00 176.35 176.17 2k35 n SER 51 N 1.02 -6.49 -1.82 2.29 7.64 -1.26 -4.42 113.62 110.58 2k35 n SER 51 Ca -0.19 1.02 -0.20 0.00 1.01 0.00 0.00 58.87 60.51 2k35 n SER 51 Cb 0.55 -2.87 0.12 0.00 -1.01 0.00 0.00 64.21 61.00 2k35 n SER 51 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2k35 n LYS 52 N -3.24 2.58 0.18 1.43 4.81 -1.26 -4.70 118.16 117.96 2k35 n LYS 52 Ca 0.01 -3.46 -0.14 0.00 -0.87 0.00 0.00 58.31 53.84 2k35 n LYS 52 Cb 0.43 -2.11 -0.08 0.00 0.02 0.00 0.00 35.03 33.30 2k35 n LYS 52 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2k35 h LYS 53 N 1.58 -0.39 0.00 1.64 1.57 -1.82 -3.46 116.57 115.70 2k35 h LYS 53 Ca 0.41 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2k35 h LYS 53 Cb 1.53 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.93 2k35 h LYS 53 CO 0.89 -0.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.59 2k35 n ALA 54 N -2.33 0.00 -1.41 3.86 0.00 -1.26 -4.66 120.51 114.71 2k35 n ALA 54 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.00 2k35 n ALA 54 Cb 0.21 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.74 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 2.28 -0.10 0.00 0.51 -1.02 -3.36 118.94 117.24 2k35 s TRP 55 Ca 0.00 1.59 -0.07 0.00 -2.12 0.00 0.00 56.10 55.49 2k35 s TRP 55 Cb 0.00 -3.34 0.04 0.00 -0.81 0.00 0.00 33.47 29.35 2k35 s TRP 55 CO 0.00 -2.23 0.25 0.99 -0.51 0.00 0.00 176.95 175.46 2k35 s THR 56 N -2.14 -0.02 -0.16 2.01 2.01 0.11 0.12 115.64 117.57 2k35 s THR 56 Ca 0.71 0.07 -0.26 0.00 0.31 0.00 0.00 61.69 62.53 2k35 s THR 56 Cb -0.25 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 2k35 s THR 56 CO 0.44 0.03 0.85 0.00 -0.69 0.00 0.00 174.62 175.24 2k35 s ILE 58 N 2.11 4.83 -0.06 0.00 -1.09 0.11 -4.63 121.20 122.47 2k35 s ILE 58 Ca 0.39 1.64 -0.30 0.00 -2.23 0.00 0.00 60.65 60.16 2k35 s ILE 58 Cb -0.17 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 2k35 s ILE 58 CO 0.13 -0.06 1.44 0.00 -1.23 0.00 0.00 174.94 175.21