#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 -2.33 1.69 -5.35 -1.26 -4.97 119.36 107.13 2k35 n ILE 2 Ca 0.00 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2k35 n ILE 2 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 -6.01 -3.68 7.28 0.31 -1.26 -5.08 118.33 109.89 2k35 n VAL 3 Ca 0.00 -0.10 -0.14 0.00 -0.01 0.00 0.00 64.34 64.09 2k35 n VAL 3 Cb 0.00 -5.38 -0.08 0.00 -0.91 0.00 0.00 33.84 27.47 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 -2.50 -0.42 0.05 4.52 -1.08 -1.26 -4.70 116.67 111.28 2k35 s ASP 4 Ca 0.01 0.57 -0.10 0.00 -0.52 0.00 0.00 52.55 52.51 2k35 s ASP 4 Cb -0.00 0.62 0.00 0.00 -1.46 0.00 0.00 42.92 42.08 2k35 s ASP 4 CO 0.40 -0.38 0.21 0.00 0.52 0.00 0.00 175.17 175.92 2k35 n TRP 6 N 0.51 0.00 0.00 0.00 -0.00 0.65 -4.56 117.44 114.05 2k35 n TRP 6 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.32 2k35 n TRP 6 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.91 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 0.00 0.00 -3.90 5.87 2.13 -1.26 -2.41 120.64 121.07 2k35 n GLU 7 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2k35 n GLU 7 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 2k35 n GLU 7 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2k35 s THR 8 N 1.62 0.00 -0.61 6.31 -1.32 -1.26 -4.28 115.64 116.10 2k35 s THR 8 Ca 0.00 -1.17 -0.07 0.00 -1.21 0.00 0.00 61.69 59.23 2k35 s THR 8 Cb 0.00 -2.50 0.01 0.00 -1.51 0.00 0.00 72.50 68.50 2k35 s THR 8 CO 0.00 0.00 0.66 1.87 -2.21 0.00 0.00 174.62 174.94 2k35 n TRP 9 N -0.49 -3.17 0.00 9.09 -0.00 -1.26 -3.00 117.44 118.61 2k35 n TRP 9 Ca -0.04 1.24 0.00 0.00 -0.00 0.00 0.00 57.50 58.70 2k35 n TRP 9 Cb 0.60 -4.03 0.00 0.00 -0.00 0.00 0.00 31.31 27.88 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 -1.17 0.00 0.29 5.87 7.64 -1.26 -4.67 113.62 120.32 2k35 n SER 10 Ca 0.04 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.07 2k35 n SER 10 Cb 0.49 0.00 0.86 0.00 -1.01 0.00 0.00 64.21 64.56 2k35 n SER 10 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2k35 h ARG 11 N 0.00 0.00 -0.02 1.43 3.08 -1.89 0.14 114.38 117.12 2k35 h ARG 11 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k35 h ARG 11 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2k35 h ARG 11 CO 0.00 0.06 -0.33 0.00 -1.07 0.00 0.00 179.97 178.63 2k35 n THR 13 N 0.37 1.18 -0.12 0.00 -1.04 -0.37 -4.46 114.28 109.83 2k35 n THR 13 Ca 0.10 -0.42 -0.24 0.00 -2.04 0.00 0.00 64.05 61.46 2k35 n THR 13 Cb 0.50 -1.35 -0.11 0.00 -1.82 0.00 0.00 70.33 67.54 2k35 n THR 13 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2k35 n LYS 14 N -3.29 0.63 -2.53 -2.82 4.76 0.35 -1.29 118.16 113.96 2k35 n LYS 14 Ca -0.38 0.25 -0.33 0.00 -2.87 0.00 0.00 58.31 54.98 2k35 n LYS 14 Cb 0.87 -1.55 -0.04 0.00 -1.84 0.00 0.00 35.03 32.47 2k35 n LYS 14 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2k35 s TRP 15 N -2.50 3.15 -0.26 2.13 0.52 -1.21 -2.76 118.94 118.01 2k35 s TRP 15 Ca -0.35 1.56 -0.27 0.00 0.02 0.00 0.00 56.10 57.06 2k35 s TRP 15 Cb 0.11 -2.95 0.16 0.00 -1.15 0.00 0.00 33.47 29.64 2k35 s TRP 15 CO 0.57 -0.59 1.22 -1.54 0.02 0.00 0.00 176.95 176.63 2k35 s SER 16 N -2.32 -0.21 -0.24 2.95 1.04 -1.26 -4.16 113.70 109.50 2k35 s SER 16 Ca 0.64 0.33 -0.01 0.00 0.48 0.00 0.00 55.95 57.39 2k35 s SER 16 Cb -0.13 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 2k35 s SER 16 CO 0.22 -0.13 0.22 1.67 0.98 0.00 0.00 173.24 176.20 2k35 n GLN 17 N 1.24 -0.46 0.00 4.02 7.27 -1.26 -3.59 117.38 124.60 2k35 n GLN 17 Ca -0.08 0.62 0.00 0.00 0.07 0.00 0.00 57.00 57.61 2k35 n GLN 17 Cb 0.57 -2.72 0.00 0.00 2.41 0.00 0.00 30.24 30.50 2k35 n GLN 17 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k35 n GLY 18 N -1.28 0.74 2.68 1.69 0.00 -1.26 -0.96 105.19 106.80 2k35 n GLY 18 Ca -0.01 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 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 3.78 2.46 -0.02 0.00 -1.26 -4.45 105.19 105.70 2k35 n GLY 19 Ca 0.00 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 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 4.77 -8.78 0.00 2.61 -1.04 -1.23 -5.07 114.28 105.54 2k35 n THR 20 Ca 0.57 0.80 0.00 0.00 -2.04 0.00 0.00 64.05 63.38 2k35 n THR 20 Cb 0.31 -6.35 0.00 0.00 -1.82 0.00 0.00 70.33 62.47 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 -0.17 1.12 0.03 3.41 0.00 -0.13 -4.97 105.19 104.48 2k35 n GLY 21 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.00 -2.88 2.61 -2.24 -1.26 -4.73 114.28 105.77 2k35 n THR 22 Ca 0.00 -0.48 -0.25 0.00 -2.27 0.00 0.00 64.05 61.05 2k35 n THR 22 Cb 0.00 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 2k35 n THR 22 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2k35 n LEU 23 N -0.47 3.76 -1.41 3.22 7.94 -1.26 -4.82 117.00 123.96 2k35 n LEU 23 Ca 0.01 -5.38 0.05 0.00 -1.11 0.00 0.00 56.01 49.57 2k35 n LEU 23 Cb 0.03 -0.27 0.27 0.00 0.53 0.00 0.00 43.42 43.98 2k35 n LEU 23 CO 0.02 2.28 0.68 -2.67 -1.11 0.00 0.00 177.39 176.59 2k35 n TRP 24 N -0.19 1.36 -0.50 1.96 2.14 -1.26 -4.40 117.44 116.55 2k35 n TRP 24 Ca 0.30 -0.48 -0.03 0.00 2.07 0.00 0.00 57.50 59.36 2k35 n TRP 24 Cb 0.51 -0.35 -0.04 0.00 -0.81 0.00 0.00 31.31 30.62 2k35 n TRP 24 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 2k35 n LYS 25 N 0.48 0.99 -1.78 -2.67 4.81 -1.26 -4.70 118.16 114.03 2k35 n LYS 25 Ca 0.19 -0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2k35 n LYS 25 Cb 0.86 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.52 2k35 n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2k35 n SER 26 N 1.98 -7.42 -0.18 3.14 7.64 -1.11 -4.38 113.62 113.29 2k35 n SER 26 Ca 0.11 1.15 0.05 0.00 1.01 0.00 0.00 58.87 61.19 2k35 n SER 26 Cb 0.47 -4.13 0.34 0.00 -1.01 0.00 0.00 64.21 59.89 2k35 n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k35 h ASN 28 N 0.78 1.07 0.33 0.00 -0.73 -1.77 -2.27 115.58 112.99 2k35 h ASN 28 Ca 0.30 -0.14 -0.09 0.00 1.87 0.00 0.00 56.30 58.24 2k35 h ASN 28 Cb 0.19 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 2k35 h ASN 28 CO -0.09 0.91 -0.38 -0.78 -0.37 0.00 0.00 177.43 176.72 2k35 h ASP 29 N 1.15 0.08 -0.82 1.15 3.58 -1.45 -2.55 116.42 117.56 2k35 h ASP 29 Ca 0.27 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 2k35 h ASP 29 Cb 0.14 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 2k35 h ASP 29 CO -0.03 0.45 0.50 0.03 -2.88 0.00 0.00 179.24 177.32 2k35 h ARG 30 N 0.07 1.11 -0.18 0.28 2.47 -0.78 -0.32 114.38 117.02 2k35 h ARG 30 Ca 0.01 -0.09 -0.13 0.00 -1.26 0.00 0.00 59.98 58.50 2k35 h ARG 30 Cb 0.70 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2k35 h ARG 30 CO 0.05 0.77 -0.45 0.00 0.56 0.00 0.00 179.97 180.90 2k35 h LYS 32 N 0.37 1.01 0.00 0.00 1.57 -0.99 -2.15 116.57 116.37 2k35 h LYS 32 Ca 0.02 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2k35 h LYS 32 Cb 0.94 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2k35 h LYS 32 CO 0.08 0.97 -0.01 1.49 -0.57 0.00 0.00 179.45 181.41 2k35 h GLU 33 N 0.93 0.00 -0.00 3.15 4.81 -0.93 -0.97 114.58 121.57 2k35 h GLU 33 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2k35 h GLU 33 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2k35 h GLU 33 CO 0.02 0.01 -0.13 -0.11 -0.73 0.00 0.00 179.01 178.08 2k35 n LEU 34 N -3.13 0.43 0.00 1.64 0.00 -0.85 -4.88 117.00 110.22 2k35 n LEU 34 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 56.01 56.04 2k35 n LEU 34 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 43.42 43.40 2k35 n LEU 34 CO 0.24 0.08 0.00 0.61 0.00 0.00 0.00 177.39 178.32 2k35 n GLY 35 N 1.31 1.20 3.89 -3.96 0.00 -0.38 -5.11 105.19 102.15 2k35 n GLY 35 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.12 2.25 -0.19 1.61 1.81 -0.97 -5.03 118.95 118.30 2k35 s ARG 36 Ca 0.00 -2.07 0.00 0.00 -1.72 0.00 0.00 55.73 51.95 2k35 s ARG 36 Cb 0.00 -2.03 -0.12 0.00 -0.45 0.00 0.00 34.95 32.35 2k35 s ARG 36 CO 0.00 -0.59 -0.17 1.63 -0.68 0.00 0.00 175.30 175.48 2k35 n LYS 37 N -1.71 0.46 -4.32 3.54 5.02 -0.63 -4.10 118.16 116.42 2k35 n LYS 37 Ca -0.04 0.12 -0.20 0.00 -2.02 0.00 0.00 58.31 56.17 2k35 n LYS 37 Cb 0.65 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 34.21 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 -2.37 1.77 -0.35 1.97 3.03 -0.69 -4.74 118.95 117.56 2k35 s ARG 38 Ca -0.25 -2.03 0.03 0.00 2.03 0.00 0.00 55.73 55.50 2k35 s ARG 38 Cb 0.07 0.18 0.16 0.00 -1.03 0.00 0.00 34.95 34.33 2k35 s ARG 38 CO 0.42 -0.62 0.41 0.20 -1.13 0.00 0.00 175.30 174.59 2k35 s GLY 39 N -3.40 -0.35 0.08 3.88 0.00 -1.25 -0.60 107.32 105.67 2k35 s GLY 39 Ca 0.38 -0.43 -0.31 0.00 0.00 0.00 0.00 44.72 44.36 2k35 s GLY 39 CO 0.25 2.93 1.35 1.20 0.00 0.00 0.00 173.10 178.84 2k35 s GLN 40 N 1.88 4.34 -0.62 2.90 -0.21 -0.83 -4.23 119.66 122.89 2k35 s GLN 40 Ca 0.14 1.98 -0.27 0.00 0.02 0.00 0.00 55.36 57.23 2k35 s GLN 40 Cb -0.13 -3.34 -0.01 0.00 1.00 0.00 0.00 33.01 30.54 2k35 s GLN 40 CO -0.14 -0.42 1.67 0.00 -2.12 0.00 0.00 175.29 174.28 2k35 s GLU 42 N 6.47 2.02 -0.94 0.00 2.12 0.95 -4.80 118.70 124.52 2k35 s GLU 42 Ca 0.59 -1.24 -0.24 0.00 0.36 0.00 0.00 54.97 54.44 2k35 s GLU 42 Cb -0.12 -2.16 0.00 0.00 0.26 0.00 0.00 34.13 32.11 2k35 s GLU 42 CO 0.21 0.45 1.70 -1.21 -0.54 0.00 0.00 175.26 175.86 2k35 s GLU 43 N -2.69 3.05 -0.33 4.30 2.02 -1.26 0.14 118.70 123.93 2k35 s GLU 43 Ca 0.24 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.57 2k35 s GLU 43 Cb -0.09 -5.16 0.12 0.00 0.10 0.00 0.00 34.13 29.10 2k35 s GLU 43 CO 0.14 -2.79 0.17 0.15 0.02 0.00 0.00 175.26 172.95 2k35 s LYS 44 N 6.05 0.51 -0.01 1.61 -0.14 0.22 -4.96 119.74 123.02 2k35 s LYS 44 Ca 0.58 -1.06 0.01 0.00 -1.36 0.00 0.00 55.97 54.14 2k35 s LYS 44 Cb -0.04 -1.45 0.05 0.00 -1.68 0.00 0.00 37.83 34.71 2k35 s LYS 44 CO -0.04 -1.10 0.75 -2.30 -0.76 0.00 0.00 175.35 171.89 2k35 n PRO 45 N 4.56 1.19 -0.07 -1.68 -0.02 -1.25 -4.01 135.00 133.71 2k35 n PRO 45 Ca 0.03 -0.18 0.01 0.00 -2.02 0.00 0.00 63.50 61.34 2k35 n PRO 45 Cb 0.39 -1.36 0.04 0.00 -0.02 0.00 0.00 33.50 32.56 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 -0.11 1.06 0.00 2.55 3.41 -1.26 -4.26 113.62 115.00 2k35 n SER 46 Ca 0.02 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 2k35 n SER 46 Cb 0.21 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2k35 n SER 46 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2k35 n ARG 47 N -0.07 0.00 -3.99 4.33 5.12 -1.26 -5.09 116.66 115.71 2k35 n ARG 47 Ca 0.03 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.69 2k35 n ARG 47 Cb 0.23 -0.03 -0.04 0.00 -1.16 0.00 0.00 32.46 31.47 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 -0.56 0.95 -2.77 0.00 -0.04 -1.26 -4.58 135.00 126.74 2k35 n PRO 49 Ca -0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 2k35 n PRO 49 Cb 0.54 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.87 2k35 n PRO 49 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k35 n LEU 50 N 0.40 6.30 0.31 1.53 4.32 -1.26 -4.77 117.00 123.84 2k35 n LEU 50 Ca 0.00 -4.90 0.20 0.00 -0.02 0.00 0.00 56.01 51.29 2k35 n LEU 50 Cb 0.42 -1.41 0.96 0.00 -1.62 0.00 0.00 43.42 41.77 2k35 n LEU 50 CO 0.00 1.44 1.09 0.28 -1.22 0.00 0.00 177.39 178.98 2k35 h SER 51 N 5.86 0.00 0.66 -1.43 0.02 -1.94 -0.79 113.55 115.92 2k35 h SER 51 Ca 0.29 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 2k35 h SER 51 Cb 0.67 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2k35 h SER 51 CO 1.41 0.01 -0.09 0.50 -1.14 0.00 0.00 176.83 177.52 2k35 h LYS 52 N 0.00 0.00 0.00 3.45 3.64 -1.98 -3.37 116.57 118.31 2k35 h LYS 52 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k35 h LYS 52 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2k35 h LYS 52 CO 0.00 0.09 0.00 1.63 -2.27 0.00 0.00 179.45 178.90 2k35 n LYS 53 N -3.33 0.00 -0.94 1.90 4.76 -0.58 -5.02 118.16 114.95 2k35 n LYS 53 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2k35 n LYS 53 Cb 0.28 -0.18 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 2k35 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k35 n ALA 54 N -2.30 0.00 -2.53 7.82 0.00 -0.41 -4.92 120.51 118.17 2k35 n ALA 54 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2k35 n ALA 54 Cb 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.13 3.07 -0.04 0.00 0.52 -1.01 -0.61 118.94 118.74 2k35 s TRP 55 Ca 0.00 0.01 0.05 0.00 0.02 0.00 0.00 56.10 56.18 2k35 s TRP 55 Cb 0.00 -3.35 -0.02 0.00 -1.15 0.00 0.00 33.47 28.94 2k35 s TRP 55 CO 0.00 -0.85 -0.18 0.99 0.02 0.00 0.00 176.95 176.93 2k35 s THR 56 N 2.85 2.75 -0.35 2.01 2.01 0.12 -0.25 115.64 124.78 2k35 s THR 56 Ca 0.23 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 2k35 s THR 56 Cb -0.14 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.33 2k35 s THR 56 CO 0.19 0.59 1.44 0.00 -0.69 0.00 0.00 174.62 176.14 2k35 s ILE 58 N 5.23 4.17 -0.08 0.00 -1.09 0.22 -4.74 121.20 124.91 2k35 s ILE 58 Ca 0.63 0.61 -0.29 0.00 -2.23 0.00 0.00 60.65 59.36 2k35 s ILE 58 Cb -0.17 -4.65 -0.06 0.00 -1.58 0.00 0.00 42.46 36.00 2k35 s ILE 58 CO 0.30 -1.26 1.89 0.00 -1.23 0.00 0.00 174.94 174.65