#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k35 h ILE 2 N 0.00 1.24 -3.29 -0.39 1.08 -1.98 -3.49 117.51 110.67 2k35 h ILE 2 Ca 0.00 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.38 2k35 h ILE 2 Cb 0.00 1.35 -0.00 0.00 -3.07 0.00 0.00 36.82 35.10 2k35 h ILE 2 CO 0.00 0.34 -0.47 0.52 -0.69 0.00 0.00 178.15 177.85 2k35 n VAL 3 N -4.17 -7.46 -0.17 1.67 0.31 -1.26 -5.08 118.33 102.15 2k35 n VAL 3 Ca -0.01 1.51 0.00 0.00 -0.01 0.00 0.00 64.34 65.83 2k35 n VAL 3 Cb 0.35 -4.49 0.00 0.00 -0.91 0.00 0.00 33.84 28.80 2k35 n VAL 3 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2k35 n ASP 4 N 0.87 0.00 0.00 4.52 5.68 -1.26 -4.97 116.55 121.39 2k35 n ASP 4 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k35 n ASP 4 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2k35 n ASP 4 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k35 s TRP 6 N -0.26 3.48 0.07 0.00 -0.00 0.44 -4.02 118.94 118.65 2k35 s TRP 6 Ca 0.00 1.36 0.00 0.00 -0.00 0.00 0.00 56.10 57.46 2k35 s TRP 6 Cb 0.00 -2.71 0.00 0.00 -0.00 0.00 0.00 33.47 30.76 2k35 s TRP 6 CO 0.00 -0.37 0.00 -1.91 -0.00 0.00 0.00 176.95 174.67 2k35 n GLU 7 N -1.71 0.00 0.00 5.86 0.00 -0.62 -4.73 120.64 119.44 2k35 n GLU 7 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2k35 n GLU 7 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 31.44 31.94 2k35 n GLU 7 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2k35 n THR 8 N -2.80 0.00 0.00 6.31 -2.24 -1.26 -4.99 114.28 109.30 2k35 n THR 8 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k35 n THR 8 Cb 0.00 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 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 -1.57 0.00 0.21 4.78 -0.00 -1.26 -4.88 117.44 114.71 2k35 n TRP 9 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.57 2k35 n TRP 9 Cb 0.00 0.05 0.42 0.00 -0.00 0.00 0.00 31.31 31.78 2k35 n TRP 9 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 2k35 h SER 10 N 0.00 0.00 0.00 5.87 0.02 -2.01 -3.18 113.55 114.25 2k35 h SER 10 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2k35 h SER 10 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2k35 h SER 10 CO 0.00 0.30 -0.10 0.54 -1.14 0.00 0.00 176.83 176.43 2k35 n ARG 11 N -3.56 1.20 0.00 3.45 1.74 -1.26 -2.32 116.66 115.91 2k35 n ARG 11 Ca -0.01 -0.31 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 2k35 n ARG 11 Cb 0.44 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 2k35 n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k35 h THR 13 N 0.00 0.73 0.00 0.00 1.35 -1.67 -3.34 112.91 109.97 2k35 h THR 13 Ca 0.00 -2.08 -0.09 0.00 -0.55 0.00 0.00 66.41 63.70 2k35 h THR 13 Cb 0.00 2.30 -0.19 0.00 -1.73 0.00 0.00 68.15 68.53 2k35 h THR 13 CO 0.00 0.41 -0.75 0.29 -0.25 0.00 0.00 175.52 175.23 2k35 n LYS 14 N -3.14 0.78 -3.69 4.72 5.02 -0.98 0.15 118.16 121.02 2k35 n LYS 14 Ca -0.00 -2.60 -0.11 0.00 -2.02 0.00 0.00 58.31 53.57 2k35 n LYS 14 Cb 0.74 -0.81 -0.06 0.00 -0.02 0.00 0.00 35.03 34.88 2k35 n LYS 14 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 2k35 s TRP 15 N -1.59 -0.18 -0.30 2.13 -0.00 -1.25 -4.80 118.94 112.95 2k35 s TRP 15 Ca 0.35 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.10 56.41 2k35 s TRP 15 Cb 0.37 0.18 0.18 0.00 -0.00 0.00 0.00 33.47 34.20 2k35 s TRP 15 CO -0.11 -0.60 0.65 -1.12 -0.00 0.00 0.00 176.95 175.77 2k35 s SER 16 N -2.35 -1.27 0.22 5.86 0.01 -1.26 -3.93 113.70 110.99 2k35 s SER 16 Ca -0.02 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.17 2k35 s SER 16 Cb 0.01 2.12 0.00 0.00 0.21 0.00 0.00 66.02 68.35 2k35 s SER 16 CO -0.06 -0.24 0.00 1.67 0.41 0.00 0.00 173.24 175.02 2k35 n GLN 17 N 5.43 -1.23 -0.33 12.44 7.27 -1.26 -2.36 117.38 137.34 2k35 n GLN 17 Ca -0.03 1.00 0.04 0.00 0.07 0.00 0.00 57.00 58.08 2k35 n GLN 17 Cb 0.51 -1.40 0.22 0.00 2.41 0.00 0.00 30.24 31.98 2k35 n GLN 17 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2k35 h GLY 18 N -0.45 1.43 -0.48 1.69 0.00 -1.98 -0.10 103.07 103.18 2k35 h GLY 18 Ca -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2k35 h GLY 18 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.47 2k35 n GLY 19 N -1.38 -0.01 2.53 4.60 0.00 -1.26 -4.90 105.19 104.78 2k35 n GLY 19 Ca 0.15 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 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 0.08 -0.06 -0.80 2.61 -1.04 -0.05 -1.83 114.28 113.19 2k35 n THR 20 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 2k35 n THR 20 Cb 0.28 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 66.90 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 -0.70 0.28 3.12 3.41 0.00 -1.00 -1.61 105.19 108.69 2k35 n GLY 21 Ca -0.19 0.00 0.00 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 -2.14 0.00 -1.06 2.61 -1.04 -0.76 -4.63 114.28 107.25 2k35 n THR 22 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k35 n THR 22 Cb 0.13 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 2k35 n THR 22 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2k35 n LEU 23 N 0.00 0.00 0.00 -4.42 4.77 -1.15 -5.10 117.00 111.10 2k35 n LEU 23 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2k35 n LEU 23 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2k35 n LEU 23 CO 0.00 0.03 0.00 0.79 -1.33 0.00 0.00 177.39 176.88 2k35 n TRP 24 N 0.00 0.00 -2.04 -1.77 7.02 -0.63 -4.94 117.44 115.08 2k35 n TRP 24 Ca 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.47 2k35 n TRP 24 Cb 0.48 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.36 2k35 n TRP 24 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2k35 n LYS 25 N 0.00 -3.68 -1.41 -0.99 5.02 -1.26 -4.67 118.16 111.17 2k35 n LYS 25 Ca 0.00 2.83 -0.33 0.00 -2.02 0.00 0.00 58.31 58.79 2k35 n LYS 25 Cb 0.00 -3.65 0.09 0.00 -0.02 0.00 0.00 35.03 31.45 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 -0.44 4.32 0.24 4.39 0.01 -1.26 -4.59 113.70 116.37 2k35 s SER 26 Ca -0.05 2.16 -0.07 0.00 1.31 0.00 0.00 55.95 59.31 2k35 s SER 26 Cb 0.00 -2.57 0.23 0.00 0.21 0.00 0.00 66.02 63.89 2k35 s SER 26 CO 0.13 -2.17 1.89 0.00 0.41 0.00 0.00 173.24 173.50 2k35 h ASN 28 N 1.30 0.70 -0.24 0.00 -0.73 -1.89 -0.32 115.58 114.39 2k35 h ASN 28 Ca 0.34 -0.15 -0.07 0.00 1.87 0.00 0.00 56.30 58.29 2k35 h ASN 28 Cb -0.07 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.34 2k35 h ASN 28 CO -0.06 0.75 -0.14 -0.78 -0.37 0.00 0.00 177.43 176.83 2k35 h ASP 29 N 0.69 0.53 0.42 1.15 3.58 -1.65 0.22 116.42 121.36 2k35 h ASP 29 Ca 0.14 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 2k35 h ASP 29 Cb 0.39 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 2k35 h ASP 29 CO 0.01 0.84 -0.06 0.03 -2.88 0.00 0.00 179.24 177.18 2k35 h ARG 30 N 0.22 0.00 0.01 0.28 3.08 -0.42 -1.69 114.38 115.87 2k35 h ARG 30 Ca 0.05 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.82 2k35 h ARG 30 Cb 0.65 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 2k35 h ARG 30 CO 0.04 0.06 -1.59 0.00 -1.07 0.00 0.00 179.97 177.41 2k35 h LYS 32 N 0.01 0.00 0.00 0.00 1.57 0.39 -1.19 116.57 117.35 2k35 h LYS 32 Ca -0.24 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2k35 h LYS 32 Cb 1.97 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.28 2k35 h LYS 32 CO 0.09 0.05 -0.05 0.93 -0.57 0.00 0.00 179.45 179.90 2k35 h GLU 33 N 0.00 0.00 -0.66 3.15 5.08 -1.62 -0.65 114.58 119.88 2k35 h GLU 33 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k35 h GLU 33 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k35 h GLU 33 CO 0.01 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 2k35 n LEU 34 N -3.55 4.77 -0.12 1.33 4.32 -0.46 -4.83 117.00 118.46 2k35 n LEU 34 Ca -0.02 -2.42 -0.02 0.00 -0.02 0.00 0.00 56.01 53.53 2k35 n LEU 34 Cb 0.16 -0.64 -0.01 0.00 -1.62 0.00 0.00 43.42 41.32 2k35 n LEU 34 CO 0.27 0.57 -0.02 0.61 -1.22 0.00 0.00 177.39 177.60 2k35 n GLY 35 N 0.55 0.46 3.91 -0.72 0.00 -0.25 -5.00 105.19 104.14 2k35 n GLY 35 Ca 0.22 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.13 3.58 -0.04 1.61 1.81 -1.19 -5.01 118.95 118.58 2k35 s ARG 36 Ca 0.00 0.05 0.05 0.00 -1.72 0.00 0.00 55.73 54.11 2k35 s ARG 36 Cb 0.00 -2.52 -0.07 0.00 -0.45 0.00 0.00 34.95 31.91 2k35 s ARG 36 CO 0.00 0.01 0.04 1.63 -0.68 0.00 0.00 175.30 176.30 2k35 n LYS 37 N -1.68 2.45 -4.42 3.54 4.01 -1.26 -3.80 118.16 117.00 2k35 n LYS 37 Ca -0.01 -0.01 -0.24 0.00 -0.51 0.00 0.00 58.31 57.54 2k35 n LYS 37 Cb 0.55 -1.14 -0.09 0.00 -0.51 0.00 0.00 35.03 33.84 2k35 n LYS 37 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2k35 s ARG 38 N -2.19 1.84 -0.29 1.97 0.52 -1.26 -4.96 118.95 114.58 2k35 s ARG 38 Ca -0.03 -1.67 -0.24 0.00 -0.52 0.00 0.00 55.73 53.28 2k35 s ARG 38 Cb 0.02 -1.88 0.14 0.00 0.52 0.00 0.00 34.95 33.75 2k35 s ARG 38 CO 0.23 0.34 1.10 0.20 0.02 0.00 0.00 175.30 177.19 2k35 s GLY 39 N -3.53 -0.02 -0.01 -3.53 0.00 -1.26 -1.40 107.32 97.56 2k35 s GLY 39 Ca 0.30 2.92 0.01 0.00 0.00 0.00 0.00 44.72 47.95 2k35 s GLY 39 CO 0.16 1.98 -0.04 -0.86 0.00 0.00 0.00 173.10 174.34 2k35 s GLN 40 N 0.36 0.45 -0.30 2.90 -2.07 -0.36 -4.84 119.66 115.81 2k35 s GLN 40 Ca 0.02 -0.12 -0.27 0.00 -1.82 0.00 0.00 55.36 53.17 2k35 s GLN 40 Cb -0.05 -0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 31.34 2k35 s GLN 40 CO -0.09 0.03 2.26 0.00 -1.32 0.00 0.00 175.29 176.17 2k35 s GLU 42 N 6.87 2.23 0.00 0.00 0.41 0.16 -4.84 118.70 123.52 2k35 s GLU 42 Ca 0.99 -2.23 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 2k35 s GLU 42 Cb -0.28 -1.81 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 2k35 s GLU 42 CO 0.33 -0.50 0.43 -1.91 -0.49 0.00 0.00 175.26 173.11 2k35 n GLU 43 N -1.53 0.00 -3.30 1.61 2.13 -1.26 0.11 120.64 118.40 2k35 n GLU 43 Ca -0.11 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.47 2k35 n GLU 43 Cb 0.66 -0.93 0.02 0.00 0.27 0.00 0.00 31.44 31.46 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 -0.46 -1.74 -1.08 5.31 4.76 -1.26 -2.09 118.16 121.61 2k35 n LYS 44 Ca 0.00 1.47 -0.30 0.00 -2.87 0.00 0.00 58.31 56.61 2k35 n LYS 44 Cb 0.00 -2.54 0.25 0.00 -1.84 0.00 0.00 35.03 30.90 2k35 n LYS 44 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2k35 s PRO 45 N -2.12 -1.57 -1.41 1.97 0.04 -1.26 -4.26 135.00 126.39 2k35 s PRO 45 Ca 0.26 -0.21 -0.04 0.00 0.04 0.00 0.00 61.00 61.06 2k35 s PRO 45 Cb -0.03 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2k35 s PRO 45 CO 0.67 -3.91 0.54 0.43 0.04 0.00 0.00 177.00 174.77 2k35 n SER 46 N -4.87 -5.70 0.00 6.66 7.64 -1.26 -4.84 113.62 111.25 2k35 n SER 46 Ca 0.15 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2k35 n SER 46 Cb 0.60 -4.53 0.00 0.00 -1.01 0.00 0.00 64.21 59.27 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 -3.68 0.00 -4.29 1.43 1.74 -1.26 -5.06 116.66 105.53 2k35 n ARG 47 Ca -0.11 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.63 2k35 n ARG 47 Cb 0.61 -0.23 -0.12 0.00 -1.02 0.00 0.00 32.46 31.70 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 6.84 0.00 -5.98 0.00 0.11 -1.97 -3.40 132.00 127.60 2k35 h PRO 49 Ca -0.33 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.30 2k35 h PRO 49 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2k35 h PRO 49 CO 0.63 0.02 1.28 -0.51 -0.21 0.00 0.00 178.00 179.22 2k35 s LEU 50 N -8.40 3.27 0.46 2.35 1.43 -1.26 -4.82 118.68 111.71 2k35 s LEU 50 Ca -0.05 0.18 0.16 0.00 -1.03 0.00 0.00 54.13 53.39 2k35 s LEU 50 Cb 0.16 -2.53 1.06 0.00 0.03 0.00 0.00 46.19 44.91 2k35 s LEU 50 CO 0.62 -2.37 2.00 0.28 0.23 0.00 0.00 176.35 177.11 2k35 h SER 51 N 14.26 0.00 0.65 2.29 0.02 -2.00 0.13 113.55 128.89 2k35 h SER 51 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2k35 h SER 51 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2k35 h SER 51 CO 1.22 0.18 0.00 0.11 -1.14 0.00 0.00 176.83 177.21 2k35 h LYS 52 N 0.00 0.00 0.00 3.45 1.79 -1.96 -3.34 116.57 116.51 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 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2k35 h LYS 52 CO 0.02 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.02 2k35 n LYS 53 N -2.48 0.00 -3.89 3.15 4.01 -0.46 -5.04 118.16 113.46 2k35 n LYS 53 Ca 0.01 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.43 2k35 n LYS 53 Cb 0.21 -0.29 0.03 0.00 -0.51 0.00 0.00 35.03 34.47 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 -2.47 -2.53 -3.41 7.82 0.00 0.32 -4.99 120.51 115.24 2k35 n ALA 54 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 2k35 n ALA 54 Cb 0.00 -3.25 -0.13 0.00 0.00 0.00 0.00 19.45 16.07 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 -3.55 -0.22 0.01 0.00 -0.11 -1.21 -4.53 118.94 109.33 2k35 s TRP 55 Ca 0.44 0.56 0.01 0.00 1.22 0.00 0.00 56.10 58.33 2k35 s TRP 55 Cb -0.20 0.02 -0.01 0.00 -1.50 0.00 0.00 33.47 31.78 2k35 s TRP 55 CO 0.92 -0.15 -0.03 0.99 -4.62 0.00 0.00 176.95 174.05 2k35 s THR 56 N 0.68 0.19 -0.16 5.86 2.01 0.31 -0.42 115.64 124.11 2k35 s THR 56 Ca -0.05 -0.50 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 2k35 s THR 56 Cb -0.06 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 2k35 s THR 56 CO -0.04 -0.20 1.70 0.00 -0.69 0.00 0.00 174.62 175.39 2k35 s ILE 58 N 5.08 5.05 0.17 0.00 -1.09 0.19 -4.74 121.20 125.86 2k35 s ILE 58 Ca 0.75 1.03 -0.25 0.00 -2.23 0.00 0.00 60.65 59.95 2k35 s ILE 58 Cb -0.29 -3.88 -0.08 0.00 -1.58 0.00 0.00 42.46 36.62 2k35 s ILE 58 CO 0.30 0.10 0.78 0.00 -1.23 0.00 0.00 174.94 174.89