#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k35 s ILE 2 N 0.00 3.39 -0.09 -0.39 1.01 -1.26 -4.99 121.20 118.86 2k35 s ILE 2 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.11 2k35 s ILE 2 Cb 0.00 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2k35 s ILE 2 CO 0.00 -0.09 -0.09 -0.69 0.00 0.00 0.00 174.94 174.07 2k35 s VAL 3 N 4.90 3.45 0.00 2.92 1.01 -1.26 -5.04 120.40 126.38 2k35 s VAL 3 Ca 0.80 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2k35 s VAL 3 Cb -0.34 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2k35 s VAL 3 CO 0.33 0.56 0.00 0.47 0.00 0.00 0.00 175.10 176.46 2k35 n ASP 4 N 2.79 1.39 -3.86 3.32 9.92 -1.26 -4.78 116.55 124.06 2k35 n ASP 4 Ca -0.18 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.00 2k35 n ASP 4 Cb 0.53 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.93 2k35 n ASP 4 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k35 n TRP 6 N -0.00 0.00 -0.67 0.00 7.02 -0.58 -4.57 117.44 118.64 2k35 n TRP 6 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 2k35 n TRP 6 Cb 0.62 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.51 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 0.00 3.35 0.00 -0.99 1.02 -1.26 -3.10 120.64 119.66 2k35 n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2k35 n GLU 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2k35 n GLU 7 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2k35 n THR 8 N 0.00 0.00 0.10 2.62 -1.04 -1.26 -4.14 114.28 110.56 2k35 n THR 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k35 n THR 8 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k35 n THR 8 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 2k35 n TRP 9 N 0.00 -3.22 1.43 -1.42 -0.00 -1.26 -4.90 117.44 108.07 2k35 n TRP 9 Ca 0.00 0.71 0.14 0.00 -0.00 0.00 0.00 57.50 58.36 2k35 n TRP 9 Cb 0.00 2.00 0.67 0.00 -0.00 0.00 0.00 31.31 33.98 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 -2.87 0.29 -0.05 5.87 7.64 -1.26 -3.69 113.62 119.56 2k35 n SER 10 Ca 0.00 -0.43 -0.11 0.00 1.01 0.00 0.00 58.87 59.34 2k35 n SER 10 Cb 0.00 -0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.01 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 0.34 0.27 0.00 1.43 9.65 -1.91 -2.19 114.38 121.96 2k35 h ARG 11 Ca 0.00 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.78 2k35 h ARG 11 Cb 0.32 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 2k35 h ARG 11 CO 0.00 0.30 -0.27 0.00 2.80 0.00 0.00 179.97 182.80 2k35 h THR 13 N 0.00 0.28 0.00 0.00 2.02 -1.53 -3.26 112.91 110.42 2k35 h THR 13 Ca -0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2k35 h THR 13 Cb 0.81 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2k35 h THR 13 CO 0.04 0.07 -0.20 1.17 0.37 0.00 0.00 175.52 176.97 2k35 n LYS 14 N -3.33 0.05 -3.67 6.66 4.81 -1.02 -0.29 118.16 121.36 2k35 n LYS 14 Ca -0.01 -0.73 -0.12 0.00 -0.87 0.00 0.00 58.31 56.58 2k35 n LYS 14 Cb 0.25 -0.51 -0.06 0.00 0.02 0.00 0.00 35.03 34.73 2k35 n LYS 14 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2k35 s TRP 15 N -0.04 -0.21 0.00 5.64 0.52 0.81 -4.36 118.94 121.31 2k35 s TRP 15 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 56.10 56.16 2k35 s TRP 15 Cb 0.00 0.21 0.00 0.00 -1.15 0.00 0.00 33.47 32.53 2k35 s TRP 15 CO 0.00 -0.61 0.00 0.43 0.02 0.00 0.00 176.95 176.79 2k35 n SER 16 N 0.21 0.00 0.00 2.95 7.64 -1.23 -4.10 113.62 119.09 2k35 n SER 16 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2k35 n SER 16 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.00 0.00 -3.01 1.43 1.13 -1.26 -4.52 117.38 111.15 2k35 n GLN 17 Ca 0.00 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.85 2k35 n GLN 17 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 2k35 n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k35 n GLY 18 N 4.46 -0.51 0.00 1.08 0.00 -1.26 -0.89 105.19 108.07 2k35 n GLY 18 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.28 1.03 2.32 -0.02 0.00 -1.26 -4.71 105.19 101.27 2k35 n GLY 19 Ca -0.10 -0.09 -0.16 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 -0.79 -0.03 2.61 -1.04 -0.07 -4.89 114.28 110.08 2k35 n THR 20 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 2k35 n THR 20 Cb 0.00 -2.43 -0.03 0.00 -1.82 0.00 0.00 70.33 66.05 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 -1.02 -0.14 0.00 3.41 0.00 -1.26 -4.89 105.19 101.29 2k35 n GLY 21 Ca -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2k35 n GLY 21 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k35 n THR 22 N -2.45 0.00 -0.82 2.61 5.66 -1.26 -4.86 114.28 113.16 2k35 n THR 22 Ca -0.09 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.71 2k35 n THR 22 Cb 0.62 1.29 0.12 0.00 -1.55 0.00 0.00 70.33 70.81 2k35 n THR 22 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2k35 n LEU 23 N 0.00 6.21 0.06 1.09 7.99 -1.26 -4.53 117.00 126.56 2k35 n LEU 23 Ca 0.00 -3.31 -0.03 0.00 -0.01 0.00 0.00 56.01 52.66 2k35 n LEU 23 Cb 0.14 -0.83 -0.01 0.00 -0.11 0.00 0.00 43.42 42.61 2k35 n LEU 23 CO 0.00 1.04 0.21 -0.50 -1.51 0.00 0.00 177.39 176.63 2k35 h TRP 24 N 1.04 -0.17 0.00 -1.77 6.55 -1.87 -3.32 115.95 116.42 2k35 h TRP 24 Ca 0.48 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.32 2k35 h TRP 24 Cb 1.99 0.06 0.00 0.00 -0.86 0.00 0.00 29.16 30.34 2k35 h TRP 24 CO 1.20 -0.10 0.00 1.63 -1.05 0.00 0.00 178.44 180.11 2k35 n LYS 25 N -3.00 0.00 -3.58 0.49 5.02 -1.26 -3.55 118.16 112.27 2k35 n LYS 25 Ca -0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.21 2k35 n LYS 25 Cb 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.06 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 -0.25 0.32 4.39 1.04 -1.26 -4.22 113.70 109.71 2k35 s SER 26 Ca 0.00 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2k35 s SER 26 Cb 0.00 0.34 0.55 0.00 0.10 0.00 0.00 66.02 67.01 2k35 s SER 26 CO 0.00 -0.58 1.95 0.00 0.98 0.00 0.00 173.24 175.60 2k35 h ASN 28 N 0.99 1.05 0.06 0.00 -0.73 -1.92 -1.12 115.58 113.92 2k35 h ASN 28 Ca 0.33 -0.29 -0.09 0.00 1.87 0.00 0.00 56.30 58.12 2k35 h ASN 28 Cb 0.06 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.36 2k35 h ASN 28 CO -0.10 1.08 -0.27 -0.78 -0.37 0.00 0.00 177.43 176.99 2k35 h ASP 29 N 0.99 0.33 -0.26 1.15 3.58 -1.64 -2.16 116.42 118.42 2k35 h ASP 29 Ca 0.18 -0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.42 2k35 h ASP 29 Cb 0.51 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2k35 h ASP 29 CO 0.02 0.60 -0.21 0.03 -2.88 0.00 0.00 179.24 176.80 2k35 h ARG 30 N 0.29 0.72 -0.24 0.28 2.47 -0.41 -2.40 114.38 115.09 2k35 h ARG 30 Ca 0.04 -0.28 -0.03 0.00 -1.26 0.00 0.00 59.98 58.45 2k35 h ARG 30 Cb 0.63 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 2k35 h ARG 30 CO 0.05 0.87 0.00 0.00 0.56 0.00 0.00 179.97 181.45 2k35 h LYS 32 N 0.35 0.23 -0.27 0.00 1.57 -0.95 0.45 116.57 117.95 2k35 h LYS 32 Ca 0.08 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2k35 h LYS 32 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2k35 h LYS 32 CO 0.01 0.51 -0.22 0.93 -0.57 0.00 0.00 179.45 180.11 2k35 h GLU 33 N 0.20 0.49 0.00 3.15 5.08 -1.07 -2.82 114.58 119.62 2k35 h GLU 33 Ca 0.03 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2k35 h GLU 33 Cb 0.64 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k35 h GLU 33 CO 0.05 0.69 -1.07 1.28 -1.00 0.00 0.00 179.01 178.95 2k35 n LEU 34 N -4.14 0.61 -0.32 1.33 4.77 -0.97 -4.70 117.00 113.58 2k35 n LEU 34 Ca -0.00 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2k35 n LEU 34 Cb 0.39 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2k35 n LEU 34 CO 0.42 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2k35 n GLY 35 N 1.32 0.77 0.09 -0.72 0.00 0.13 -5.07 105.19 101.71 2k35 n GLY 35 Ca 0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 2k35 n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k35 n ARG 36 N -0.66 1.22 0.02 1.61 5.12 0.71 -5.00 116.66 119.67 2k35 n ARG 36 Ca 0.00 -0.08 -0.01 0.00 -1.93 0.00 0.00 57.85 55.83 2k35 n ARG 36 Cb 0.49 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.79 2k35 n ARG 36 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2k35 n LYS 37 N -0.80 0.08 -3.36 5.56 5.02 -1.26 -4.60 118.16 118.81 2k35 n LYS 37 Ca 0.00 0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 2k35 n LYS 37 Cb 0.01 -0.56 -0.00 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 -1.94 3.20 -0.11 1.97 1.70 -1.26 -4.91 118.95 117.60 2k35 s ARG 38 Ca -0.04 -0.69 -0.24 0.00 -0.47 0.00 0.00 55.73 54.29 2k35 s ARG 38 Cb 0.01 -2.72 0.06 0.00 -0.57 0.00 0.00 34.95 31.73 2k35 s ARG 38 CO 0.06 0.01 0.57 0.20 -1.08 0.00 0.00 175.30 175.07 2k35 s GLY 39 N -4.14 -0.44 0.14 3.88 0.00 -1.26 -0.34 107.32 105.15 2k35 s GLY 39 Ca 0.44 1.28 -0.04 0.00 0.00 0.00 0.00 44.72 46.39 2k35 s GLY 39 CO 0.34 1.00 0.15 1.20 0.00 0.00 0.00 173.10 175.79 2k35 s GLN 40 N -0.60 1.01 -0.47 2.90 -0.21 -0.15 -4.92 119.66 117.21 2k35 s GLN 40 Ca -0.07 -1.31 -0.19 0.00 0.02 0.00 0.00 55.36 53.81 2k35 s GLN 40 Cb -0.03 0.30 0.05 0.00 1.00 0.00 0.00 33.01 34.33 2k35 s GLN 40 CO 0.05 -0.32 0.56 0.00 -2.12 0.00 0.00 175.29 173.46 2k35 s GLU 42 N 2.44 2.42 -1.50 0.00 0.41 0.15 -4.84 118.70 117.77 2k35 s GLU 42 Ca 0.14 -0.84 -0.12 0.00 -0.41 0.00 0.00 54.97 53.74 2k35 s GLU 42 Cb -0.19 -2.44 -0.02 0.00 -1.78 0.00 0.00 34.13 29.70 2k35 s GLU 42 CO 0.13 0.56 2.53 0.39 -0.49 0.00 0.00 175.26 178.38 2k35 n GLU 43 N 1.13 3.16 -4.05 1.61 1.02 -1.26 -0.81 120.64 121.44 2k35 n GLU 43 Ca -0.14 -2.38 -0.34 0.00 -0.02 0.00 0.00 57.16 54.28 2k35 n GLU 43 Cb 0.52 -3.05 -0.15 0.00 -0.02 0.00 0.00 31.44 28.74 2k35 n GLU 43 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2k35 s LYS 44 N 2.82 3.04 0.00 3.49 -0.14 -1.26 -4.90 119.74 122.78 2k35 s LYS 44 Ca 0.57 -0.82 0.00 0.00 -1.36 0.00 0.00 55.97 54.36 2k35 s LYS 44 Cb 0.16 -2.73 0.00 0.00 -1.68 0.00 0.00 37.83 33.58 2k35 s LYS 44 CO -0.07 -0.24 0.00 -2.30 -0.76 0.00 0.00 175.35 171.98 2k35 n PRO 45 N 4.66 2.73 -0.11 -1.68 -0.02 -1.26 -4.45 135.00 134.86 2k35 n PRO 45 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2k35 n PRO 45 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 2k35 n PRO 45 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2k35 n SER 46 N 0.00 0.00 -0.19 2.55 3.41 -1.26 -4.55 113.62 113.58 2k35 n SER 46 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2k35 n SER 46 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2k35 n SER 46 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2k35 n ARG 47 N -2.00 0.00 -3.85 4.33 0.00 -1.26 -5.10 116.66 108.79 2k35 n ARG 47 Ca 0.00 -0.26 -0.36 0.00 -0.00 0.00 0.00 57.85 57.23 2k35 n ARG 47 Cb 0.00 -0.19 -0.11 0.00 -0.00 0.00 0.00 32.46 32.16 2k35 n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k35 h PRO 49 N 7.52 -0.66 -6.21 0.00 0.13 -1.86 -3.45 132.00 127.48 2k35 h PRO 49 Ca -0.37 0.04 -0.55 0.00 -0.87 0.00 0.00 66.00 64.26 2k35 h PRO 49 Cb 1.17 0.15 -0.09 0.00 0.13 0.00 0.00 31.00 32.37 2k35 h PRO 49 CO 0.63 -0.44 -0.62 -0.51 -0.23 0.00 0.00 178.00 176.83 2k35 s LEU 50 N -10.15 3.32 0.11 1.56 1.43 -1.26 -5.05 118.68 108.64 2k35 s LEU 50 Ca -0.17 -0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 52.19 2k35 s LEU 50 Cb 0.05 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 2k35 s LEU 50 CO 0.63 -0.00 1.67 0.28 0.23 0.00 0.00 176.35 179.16 2k35 h SER 51 N 1.84 0.34 1.03 2.29 0.02 -2.03 -2.50 113.55 114.54 2k35 h SER 51 Ca -0.45 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 2k35 h SER 51 Cb 1.25 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2k35 h SER 51 CO 0.60 0.39 0.00 0.11 -1.14 0.00 0.00 176.83 176.79 2k35 h LYS 52 N 0.27 0.00 -1.65 3.45 1.79 -1.97 -3.04 116.57 115.42 2k35 h LYS 52 Ca 0.09 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.17 2k35 h LYS 52 Cb 0.14 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 30.64 2k35 h LYS 52 CO -0.01 0.00 0.42 1.63 -1.08 0.00 0.00 179.45 180.41 2k35 n LYS 53 N -2.66 2.02 -3.18 3.15 4.01 -0.94 -4.68 118.16 115.88 2k35 n LYS 53 Ca 0.02 -1.86 -0.46 0.00 -0.51 0.00 0.00 58.31 55.50 2k35 n LYS 53 Cb 0.31 -1.80 -0.02 0.00 -0.51 0.00 0.00 35.03 33.00 2k35 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k35 s ALA 54 N -1.84 3.86 -0.30 7.82 0.00 -1.15 -3.52 121.76 126.63 2k35 s ALA 54 Ca 0.41 -3.15 -0.02 0.00 0.00 0.00 0.00 51.96 49.20 2k35 s ALA 54 Cb 0.30 -3.72 0.19 0.00 0.00 0.00 0.00 23.12 19.89 2k35 s ALA 54 CO -0.07 -2.53 0.76 -1.58 0.00 0.00 0.00 175.76 172.34 2k35 s TRP 55 N 1.01 -1.31 0.36 0.00 0.51 -1.18 -4.24 118.94 114.09 2k35 s TRP 55 Ca 0.24 0.95 0.09 0.00 -2.12 0.00 0.00 56.10 55.26 2k35 s TRP 55 Cb -0.08 0.29 -0.07 0.00 -0.81 0.00 0.00 33.47 32.81 2k35 s TRP 55 CO -0.09 -0.75 -0.06 -0.08 -0.51 0.00 0.00 176.95 175.46 2k35 s THR 56 N 2.88 2.18 -0.66 2.01 -1.32 0.01 -1.52 115.64 119.23 2k35 s THR 56 Ca 0.15 -2.14 -0.24 0.00 -1.21 0.00 0.00 61.69 58.25 2k35 s THR 56 Cb -0.09 -2.75 0.06 0.00 -1.51 0.00 0.00 72.50 68.20 2k35 s THR 56 CO -0.22 -0.14 1.03 0.00 -2.21 0.00 0.00 174.62 173.07 2k35 s ILE 58 N 4.39 4.78 0.12 0.00 -1.09 0.18 -4.83 121.20 124.75 2k35 s ILE 58 Ca 0.26 0.67 0.02 0.00 -2.23 0.00 0.00 60.65 59.38 2k35 s ILE 58 Cb -0.14 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 2k35 s ILE 58 CO 0.13 -0.44 0.21 0.00 -1.23 0.00 0.00 174.94 173.60