#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 4.61 -1.36 1.69 2.08 -1.26 -4.60 119.36 120.51 2k35 n ILE 2 Ca 0.00 -4.27 -0.12 0.00 0.56 0.00 0.00 62.75 58.91 2k35 n ILE 2 Cb 0.00 -2.28 -0.05 0.00 -0.75 0.00 0.00 39.64 36.55 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 2.87 0.00 -2.33 1.39 0.31 -1.26 -4.70 118.33 114.62 2k35 n VAL 3 Ca 0.49 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.45 2k35 n VAL 3 Cb 0.32 -1.59 -0.04 0.00 -0.91 0.00 0.00 33.84 31.63 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 -2.46 5.85 0.25 4.52 -4.77 -1.19 -3.14 116.67 115.73 2k35 s ASP 4 Ca 0.00 -0.76 -0.12 0.00 -3.30 0.00 0.00 52.55 48.37 2k35 s ASP 4 Cb 0.00 -2.56 -0.08 0.00 -1.09 0.00 0.00 42.92 39.19 2k35 s ASP 4 CO 0.00 -2.07 0.61 0.00 0.70 0.00 0.00 175.17 174.41 2k35 n TRP 6 N -0.07 -3.08 0.00 0.00 -0.00 -0.26 -1.10 117.44 112.92 2k35 n TRP 6 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.51 2k35 n TRP 6 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 2k35 n TRP 6 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2k35 n GLU 7 N -0.81 0.00 0.07 5.87 2.13 -1.26 -4.62 120.64 122.02 2k35 n GLU 7 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2k35 n GLU 7 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 -0.08 0.21 -0.90 6.31 -2.24 -1.26 -4.86 114.28 111.46 2k35 n THR 8 Ca 0.00 0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 2k35 n THR 8 Cb 0.00 -0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2k35 n THR 8 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2k35 n TRP 9 N -3.07 1.06 -3.45 4.78 -0.00 -1.26 -4.79 117.44 110.70 2k35 n TRP 9 Ca 0.00 -1.70 -0.17 0.00 -0.00 0.00 0.00 57.50 55.63 2k35 n TRP 9 Cb 0.00 -0.97 0.02 0.00 -0.00 0.00 0.00 31.31 30.36 2k35 n TRP 9 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 2k35 n SER 10 N 0.88 -6.22 0.32 5.87 7.64 -1.26 -4.76 113.62 116.09 2k35 n SER 10 Ca 0.27 -0.63 0.19 0.00 1.01 0.00 0.00 58.87 59.72 2k35 n SER 10 Cb 0.58 -3.74 1.05 0.00 -1.01 0.00 0.00 64.21 61.09 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 -0.51 0.00 0.14 1.43 9.65 -1.82 -0.96 114.38 122.31 2k35 h ARG 11 Ca -0.40 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.17 2k35 h ARG 11 Cb 1.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2k35 h ARG 11 CO 0.38 0.01 -1.53 0.00 2.80 0.00 0.00 179.97 181.63 2k35 h THR 13 N -0.15 0.59 0.00 0.00 2.02 -1.76 -3.07 112.91 110.53 2k35 h THR 13 Ca -0.32 -1.15 -0.33 0.00 0.77 0.00 0.00 66.41 65.39 2k35 h THR 13 Cb 1.89 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 70.02 2k35 h THR 13 CO 0.11 0.23 -2.07 1.17 0.37 0.00 0.00 175.52 175.33 2k35 n LYS 14 N -3.41 0.51 0.00 6.66 3.00 -0.41 -2.76 118.16 121.76 2k35 n LYS 14 Ca 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 2k35 n LYS 14 Cb 0.43 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 34.10 2k35 n LYS 14 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 2k35 n TRP 15 N -4.16 0.00 -2.18 5.64 8.01 0.05 -2.34 117.44 122.46 2k35 n TRP 15 Ca -0.41 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 55.77 2k35 n TRP 15 Cb 0.77 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 30.05 2k35 n TRP 15 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 2k35 n SER 16 N 0.00 -0.00 0.00 -0.99 7.64 -1.24 -4.13 113.62 114.89 2k35 n SER 16 Ca 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.02 2k35 n SER 16 Cb 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2k35 n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k35 n GLN 17 N 0.18 -0.48 -1.79 1.43 10.64 -1.19 -3.15 117.38 123.02 2k35 n GLN 17 Ca -0.08 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.66 2k35 n GLN 17 Cb 0.84 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 30.19 2k35 n GLN 17 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2k35 s GLY 18 N 0.00 0.85 0.00 2.61 0.00 -1.26 -4.36 107.32 105.15 2k35 s GLY 18 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.42 2k35 s GLY 18 CO 0.00 3.50 0.00 0.61 0.00 0.00 0.00 173.10 177.21 2k35 n GLY 19 N 5.30 1.01 1.37 0.20 0.00 -1.26 -4.59 105.19 107.21 2k35 n GLY 19 Ca 0.25 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.76 -0.94 2.61 -1.04 -1.26 -4.89 114.28 109.53 2k35 n THR 20 Ca 0.00 0.25 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 2k35 n THR 20 Cb 0.00 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 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 2.83 0.88 2.42 3.41 0.00 -1.26 -3.65 105.19 109.81 2k35 n GLY 21 Ca 0.00 0.00 -0.19 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 -2.00 -0.62 -2.77 2.61 -1.04 -1.26 -4.88 114.28 104.32 2k35 n THR 22 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 2k35 n THR 22 Cb 0.00 -2.39 0.01 0.00 -1.82 0.00 0.00 70.33 66.13 2k35 n THR 22 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2k35 s LEU 23 N -5.49 -1.27 0.00 -4.42 2.96 -1.24 -5.05 118.68 104.16 2k35 s LEU 23 Ca 0.00 -1.48 0.00 0.00 -0.22 0.00 0.00 54.13 52.43 2k35 s LEU 23 Cb 0.00 1.67 0.00 0.00 0.50 0.00 0.00 46.19 48.36 2k35 s LEU 23 CO 0.00 -0.05 0.00 -2.67 -1.32 0.00 0.00 176.35 172.31 2k35 n TRP 24 N 2.96 0.00 -0.73 5.38 4.27 -1.26 -4.30 117.44 123.77 2k35 n TRP 24 Ca 0.17 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.78 2k35 n TRP 24 Cb 0.57 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.52 2k35 n TRP 24 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2k35 n LYS 25 N -2.27 -0.18 -0.81 -2.67 5.02 -1.26 -4.57 118.16 111.43 2k35 n LYS 25 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2k35 n LYS 25 Cb 0.00 -3.84 0.00 0.00 -0.02 0.00 0.00 35.03 31.17 2k35 n LYS 25 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2k35 n SER 26 N -0.09 -4.86 0.09 4.39 3.41 -0.99 -3.90 113.62 111.67 2k35 n SER 26 Ca 0.00 0.63 0.17 0.00 -0.26 0.00 0.00 58.87 59.41 2k35 n SER 26 Cb 0.04 -1.93 0.71 0.00 -0.26 0.00 0.00 64.21 62.77 2k35 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k35 h ASN 28 N 0.00 -0.32 0.18 0.00 -0.73 -1.83 0.69 115.58 113.57 2k35 h ASN 28 Ca 0.17 0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.26 2k35 h ASN 28 Cb 0.74 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.40 2k35 h ASN 28 CO -0.00 -0.22 -0.36 -0.78 -0.37 0.00 0.00 177.43 175.70 2k35 h ASP 29 N -0.37 0.25 -0.77 1.15 3.58 -1.47 -2.37 116.42 116.42 2k35 h ASP 29 Ca -0.03 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 2k35 h ASP 29 Cb 0.28 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 2k35 h ASP 29 CO 0.05 0.60 0.30 0.03 -2.88 0.00 0.00 179.24 177.34 2k35 h ARG 30 N 0.21 1.16 -0.25 0.28 2.47 -0.88 -1.91 114.38 115.47 2k35 h ARG 30 Ca 0.03 -0.22 -0.09 0.00 -1.26 0.00 0.00 59.98 58.44 2k35 h ARG 30 Cb 0.73 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 2k35 h ARG 30 CO 0.06 0.95 -0.23 0.00 0.56 0.00 0.00 179.97 181.31 2k35 h LYS 32 N 0.42 0.26 -0.26 0.00 1.57 -0.88 0.12 116.57 117.79 2k35 h LYS 32 Ca 0.07 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2k35 h LYS 32 Cb 0.63 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2k35 h LYS 32 CO 0.04 0.47 -0.22 0.93 -0.57 0.00 0.00 179.45 180.11 2k35 h GLU 33 N 0.24 0.49 0.00 3.15 5.08 -0.93 -1.76 114.58 120.84 2k35 h GLU 33 Ca 0.04 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2k35 h GLU 33 Cb 0.53 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2k35 h GLU 33 CO 0.04 0.68 0.00 -0.11 -1.00 0.00 0.00 179.01 178.61 2k35 n LEU 34 N -4.14 0.00 -0.06 1.33 7.94 -0.84 -4.89 117.00 116.33 2k35 n LEU 34 Ca -0.00 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 2k35 n LEU 34 Cb 0.38 -0.39 0.00 0.00 0.53 0.00 0.00 43.42 43.94 2k35 n LEU 34 CO 0.42 -0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 2k35 n GLY 35 N 1.27 1.03 3.69 -3.96 0.00 -0.66 -5.09 105.19 101.47 2k35 n GLY 35 Ca 0.10 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.79 2.14 -0.05 1.61 1.81 0.35 -4.99 118.95 117.02 2k35 s ARG 36 Ca 0.00 -1.86 -0.01 0.00 -1.72 0.00 0.00 55.73 52.14 2k35 s ARG 36 Cb 0.00 -1.91 -0.01 0.00 -0.45 0.00 0.00 34.95 32.58 2k35 s ARG 36 CO 0.00 -0.02 0.07 0.87 -0.68 0.00 0.00 175.30 175.53 2k35 h LYS 37 N 1.61 -0.04 -4.33 3.54 1.57 -1.85 -3.29 116.57 113.78 2k35 h LYS 37 Ca -0.43 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.02 2k35 h LYS 37 Cb 1.25 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.48 2k35 h LYS 37 CO 0.71 -0.03 -0.26 -0.98 -0.57 0.00 0.00 179.45 178.32 2k35 s ARG 38 N -1.49 1.90 0.03 3.15 1.04 -1.26 -4.66 118.95 117.65 2k35 s ARG 38 Ca -0.01 -1.85 0.01 0.00 -1.04 0.00 0.00 55.73 52.85 2k35 s ARG 38 Cb 0.00 0.42 -0.02 0.00 -2.04 0.00 0.00 34.95 33.31 2k35 s ARG 38 CO 0.02 -0.77 -0.05 0.20 -0.04 0.00 0.00 175.30 174.66 2k35 s GLY 39 N -3.28 0.32 -0.14 3.88 0.00 -1.26 -1.63 107.32 105.21 2k35 s GLY 39 Ca 0.33 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.45 2k35 s GLY 39 CO 0.23 -0.68 -0.19 1.20 0.00 0.00 0.00 173.10 173.66 2k35 s GLN 40 N -1.41 2.75 -0.48 2.90 -0.21 -0.50 -4.74 119.66 117.98 2k35 s GLN 40 Ca -0.13 -0.75 -0.27 0.00 0.02 0.00 0.00 55.36 54.24 2k35 s GLN 40 Cb -0.09 -2.30 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 2k35 s GLN 40 CO -0.00 -0.08 2.21 0.00 -2.12 0.00 0.00 175.29 175.29 2k35 s GLU 42 N 7.56 1.96 -0.96 0.00 -6.30 0.97 -4.72 118.70 117.21 2k35 s GLU 42 Ca 0.89 -1.39 -0.24 0.00 -2.50 0.00 0.00 54.97 51.73 2k35 s GLU 42 Cb -0.18 -2.06 -0.04 0.00 0.00 0.00 0.00 34.13 31.85 2k35 s GLU 42 CO 0.26 0.41 1.88 -2.00 0.02 0.00 0.00 175.26 175.82 2k35 s GLU 43 N -3.01 2.71 -0.38 4.30 2.12 -1.26 -0.46 118.70 122.73 2k35 s GLU 43 Ca 0.26 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 55.05 2k35 s GLU 43 Cb -0.08 -5.13 0.12 0.00 0.26 0.00 0.00 34.13 29.30 2k35 s GLU 43 CO 0.15 -3.28 0.19 0.15 -0.54 0.00 0.00 175.26 171.93 2k35 s LYS 44 N 6.62 0.98 0.00 4.30 -0.14 0.23 -4.95 119.74 126.78 2k35 s LYS 44 Ca 0.66 -1.59 0.00 0.00 -1.36 0.00 0.00 55.97 53.68 2k35 s LYS 44 Cb -0.05 -2.07 0.00 0.00 -1.68 0.00 0.00 37.83 34.03 2k35 s LYS 44 CO -0.00 -1.11 0.51 -2.30 -0.76 0.00 0.00 175.35 171.70 2k35 n PRO 45 N 4.06 0.64 -0.00 -1.68 -0.02 -1.25 -3.15 135.00 133.61 2k35 n PRO 45 Ca 0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.32 2k35 n PRO 45 Cb 0.37 -1.13 -0.14 0.00 -0.02 0.00 0.00 33.50 32.59 2k35 n PRO 45 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2k35 h SER 46 N 0.14 0.38 0.85 2.55 4.64 -1.94 -3.38 113.55 116.80 2k35 h SER 46 Ca 0.00 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 2k35 h SER 46 Cb 0.13 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2k35 h SER 46 CO 0.00 1.78 -0.75 0.03 -0.87 0.00 0.00 176.83 177.02 2k35 h ARG 47 N -0.11 0.00 -6.06 4.77 2.47 -1.90 -3.46 114.38 110.08 2k35 h ARG 47 Ca -0.39 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 57.65 2k35 h ARG 47 Cb 1.91 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 30.03 2k35 h ARG 47 CO 0.05 0.00 -0.71 0.00 0.56 0.00 0.00 179.97 179.87 2k35 h PRO 49 N 5.47 0.00 -6.11 0.00 0.11 -1.89 -3.45 132.00 126.13 2k35 h PRO 49 Ca -0.45 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.09 2k35 h PRO 49 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2k35 h PRO 49 CO 0.53 0.31 0.30 -0.51 -0.21 0.00 0.00 178.00 178.42 2k35 s LEU 50 N -6.46 4.28 0.08 2.35 1.43 -1.26 -4.96 118.68 114.14 2k35 s LEU 50 Ca 0.04 1.32 -0.03 0.00 -1.03 0.00 0.00 54.13 54.44 2k35 s LEU 50 Cb 0.07 -3.29 -0.27 0.00 0.03 0.00 0.00 46.19 42.73 2k35 s LEU 50 CO 0.70 -0.27 1.15 0.28 0.23 0.00 0.00 176.35 178.44 2k35 h SER 51 N 6.99 0.36 -0.24 2.29 0.02 -1.96 -3.00 113.55 118.02 2k35 h SER 51 Ca -0.36 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 2k35 h SER 51 Cb 1.18 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2k35 h SER 51 CO 0.79 1.31 0.00 0.29 -1.14 0.00 0.00 176.83 178.08 2k35 n LYS 52 N -3.50 1.86 -2.79 3.45 4.76 -1.26 -3.89 118.16 116.79 2k35 n LYS 52 Ca -0.08 -1.30 -0.02 0.00 -2.87 0.00 0.00 58.31 54.04 2k35 n LYS 52 Cb 1.01 -1.39 0.06 0.00 -1.84 0.00 0.00 35.03 32.87 2k35 n LYS 52 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k35 n LYS 53 N 0.53 1.58 0.00 1.97 5.02 -1.24 -4.91 118.16 121.12 2k35 n LYS 53 Ca 0.16 -3.03 0.02 0.00 -2.02 0.00 0.00 58.31 53.44 2k35 n LYS 53 Cb 0.37 -1.16 0.11 0.00 -0.02 0.00 0.00 35.03 34.32 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 -0.71 2.45 -2.55 7.82 0.00 -1.13 -2.66 120.51 123.73 2k35 n ALA 54 Ca 0.03 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2k35 n ALA 54 Cb 0.82 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 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 -2.00 2.30 0.08 0.00 0.51 -1.25 -0.60 118.94 117.97 2k35 s TRP 55 Ca 0.05 -0.03 0.06 0.00 -2.12 0.00 0.00 56.10 54.06 2k35 s TRP 55 Cb 0.03 -4.62 -0.04 0.00 -0.81 0.00 0.00 33.47 28.02 2k35 s TRP 55 CO 0.04 -2.06 -0.09 -0.08 -0.51 0.00 0.00 176.95 174.26 2k35 s THR 56 N 5.70 3.44 -0.41 2.01 -1.32 0.39 -1.10 115.64 124.36 2k35 s THR 56 Ca 0.35 -1.13 -0.28 0.00 -1.21 0.00 0.00 61.69 59.42 2k35 s THR 56 Cb -0.08 -2.58 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 2k35 s THR 56 CO 0.15 0.19 1.83 0.00 -2.21 0.00 0.00 174.62 174.58 2k35 s ILE 58 N 7.59 4.68 0.14 0.00 -1.09 0.14 -0.35 121.20 132.31 2k35 s ILE 58 Ca 0.77 0.66 -0.30 0.00 -2.23 0.00 0.00 60.65 59.55 2k35 s ILE 58 Cb -0.20 -4.28 -0.07 0.00 -1.58 0.00 0.00 42.46 36.34 2k35 s ILE 58 CO 0.30 -0.59 1.10 0.00 -1.23 0.00 0.00 174.94 174.52