#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i90 s PHE 11 N 0.00 1.28 -0.19 3.52 0.08 -1.26 -5.14 117.98 116.27 3i90 s PHE 11 Ca 0.00 -1.41 -0.29 0.00 0.12 0.00 0.00 56.93 55.35 3i90 s PHE 11 Cb 0.00 -0.61 -0.00 0.00 -0.57 0.00 0.00 43.02 41.84 3i90 s PHE 11 CO 0.00 -0.65 1.12 0.00 -0.10 0.00 0.00 175.22 175.58 3i90 s ALA 12 N -4.02 3.64 -0.07 5.36 0.00 -1.26 -5.06 121.76 120.36 3i90 s ALA 12 Ca 0.39 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3i90 s ALA 12 Cb 0.06 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3i90 s ALA 12 CO 0.15 -1.03 -0.06 0.00 0.00 0.00 0.00 175.76 174.82 3i90 s ALA 13 N 3.12 3.02 -0.20 0.00 0.00 -1.26 -1.83 121.76 124.61 3i90 s ALA 13 Ca 0.49 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 51.34 3i90 s ALA 13 Cb -0.18 -1.26 -0.20 0.00 0.00 0.00 0.00 23.12 21.48 3i90 s ALA 13 CO 0.11 0.58 0.31 1.49 0.00 0.00 0.00 175.76 178.24 3i90 h GLU 14 N 5.21 0.01 -2.96 0.00 4.81 -0.77 -3.42 114.58 117.45 3i90 h GLU 14 Ca -0.49 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.77 3i90 h GLU 14 Cb 1.17 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 3i90 h GLU 14 CO 0.53 1.01 0.24 -1.54 -0.73 0.00 0.00 179.01 178.51 3i90 s SER 15 N -6.76 -0.36 -0.14 1.04 1.04 -1.01 -4.99 113.70 102.52 3i90 s SER 15 Ca -0.27 -0.39 -0.13 0.00 0.48 0.00 0.00 55.95 55.63 3i90 s SER 15 Cb 0.04 0.67 -0.05 0.00 0.10 0.00 0.00 66.02 66.79 3i90 s SER 15 CO 0.61 -1.20 0.30 -0.63 0.98 0.00 0.00 173.24 173.30 3i90 s ILE 16 N -3.83 5.29 -0.22 -1.02 1.01 -1.26 -1.00 121.20 120.17 3i90 s ILE 16 Ca 0.08 0.56 -0.08 0.00 0.00 0.00 0.00 60.65 61.20 3i90 s ILE 16 Cb -0.04 -3.62 -0.18 0.00 0.01 0.00 0.00 42.46 38.62 3i90 s ILE 16 CO -0.00 0.43 -0.05 -0.38 0.00 0.00 0.00 174.94 174.94 3i90 n ILE 17 N 3.23 1.58 -3.91 2.92 5.41 0.38 -4.84 119.36 124.12 3i90 n ILE 17 Ca -0.13 -0.45 -0.09 0.00 1.00 0.00 0.00 62.75 63.08 3i90 n ILE 17 Cb 0.52 -1.72 -0.05 0.00 -0.71 0.00 0.00 39.64 37.68 3i90 n ILE 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3i90 s LYS 18 N -2.50 1.39 0.09 0.38 -0.14 -1.25 -5.00 119.74 112.71 3i90 s LYS 18 Ca -0.32 -1.12 0.09 0.00 -1.36 0.00 0.00 55.97 53.26 3i90 s LYS 18 Cb 0.09 0.46 -0.03 0.00 -1.68 0.00 0.00 37.83 36.67 3i90 s LYS 18 CO 0.61 -0.57 -0.23 0.50 -0.76 0.00 0.00 175.35 174.91 3i90 s ARG 19 N -3.96 1.30 0.06 1.68 3.52 -1.26 -0.75 118.95 119.52 3i90 s ARG 19 Ca 0.17 -1.14 -0.01 0.00 -0.13 0.00 0.00 55.73 54.62 3i90 s ARG 19 Cb 0.00 -1.57 -0.04 0.00 -1.56 0.00 0.00 34.95 31.79 3i90 s ARG 19 CO 0.03 0.38 -0.03 -0.98 -0.81 0.00 0.00 175.30 173.89 3i90 s ARG 20 N -1.71 0.63 -0.27 5.12 1.70 0.12 -4.97 118.95 119.58 3i90 s ARG 20 Ca 0.09 -1.23 -0.11 0.00 -0.47 0.00 0.00 55.73 54.01 3i90 s ARG 20 Cb -0.10 0.16 -0.05 0.00 -0.57 0.00 0.00 34.95 34.39 3i90 s ARG 20 CO 0.04 -0.10 0.19 0.42 -1.08 0.00 0.00 175.30 174.77 3i90 s ILE 21 N -3.85 5.32 -0.02 4.99 -1.09 -1.26 -0.53 121.20 124.77 3i90 s ILE 21 Ca 0.07 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 3i90 s ILE 21 Cb 0.07 -3.52 0.03 0.00 -1.58 0.00 0.00 42.46 37.46 3i90 s ILE 21 CO -0.09 0.28 0.02 -0.13 -1.23 0.00 0.00 174.94 173.79 3i90 s ARG 22 N 1.53 0.02 2.36 2.79 3.00 -0.58 -4.97 118.95 123.10 3i90 s ARG 22 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 55.73 55.96 3i90 s ARG 22 Cb -0.15 -0.26 0.00 0.00 0.00 0.00 0.00 34.95 34.53 3i90 s ARG 22 CO 0.09 -0.15 0.00 0.36 0.00 0.00 0.00 175.30 175.60 3i90 n LYS 23 N 4.08 0.00 -0.12 3.54 2.85 -1.26 -1.79 118.16 125.46 3i90 n LYS 23 Ca -0.26 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.01 3i90 n LYS 23 Cb 0.51 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.95 3i90 n LYS 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i90 n GLY 24 N 0.00 1.01 3.18 2.58 0.00 -1.26 -4.94 105.19 105.76 3i90 n GLY 24 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 3i90 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i90 s ARG 25 N -1.47 0.88 -0.11 1.61 0.52 -0.74 -5.14 118.95 114.50 3i90 s ARG 25 Ca 0.08 -1.35 -0.19 0.00 -0.52 0.00 0.00 55.73 53.75 3i90 s ARG 25 Cb 0.06 -0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.20 3i90 s ARG 25 CO 0.03 0.00 0.51 0.42 0.02 0.00 0.00 175.30 176.28 3i90 s ILE 26 N -3.55 5.16 0.06 1.52 1.01 -1.26 -1.53 121.20 122.61 3i90 s ILE 26 Ca 0.13 1.02 0.06 0.00 0.00 0.00 0.00 60.65 61.85 3i90 s ILE 26 Cb 0.05 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3i90 s ILE 26 CO -0.04 0.32 -0.16 -1.61 0.00 0.00 0.00 174.94 173.45 3i90 s GLU 27 N 0.61 1.01 -0.04 2.79 2.02 0.31 -2.21 118.70 123.19 3i90 s GLU 27 Ca 0.27 -0.92 0.06 0.00 0.02 0.00 0.00 54.97 54.40 3i90 s GLU 27 Cb -0.15 -1.08 -0.01 0.00 0.10 0.00 0.00 34.13 32.98 3i90 s GLU 27 CO 0.11 0.26 -0.22 0.71 0.02 0.00 0.00 175.26 176.14 3i90 s TYR 28 N -1.02 2.11 -0.39 1.61 2.02 -0.14 0.15 117.35 121.68 3i90 s TYR 28 Ca 0.02 -0.53 -0.26 0.00 -0.37 0.00 0.00 57.07 55.93 3i90 s TYR 28 Cb -0.09 -1.38 0.02 0.00 -0.40 0.00 0.00 41.96 40.11 3i90 s TYR 28 CO 0.02 -0.13 0.96 -1.17 -1.57 0.00 0.00 175.55 173.67 3i90 s LEU 29 N -0.27 3.95 -0.29 -1.29 2.96 0.07 -0.77 118.68 123.04 3i90 s LEU 29 Ca 0.02 0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 54.35 3i90 s LEU 29 Cb -0.11 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 3i90 s LEU 29 CO 0.01 -0.93 0.22 -0.69 -1.32 0.00 0.00 176.35 173.64 3i90 s VAL 30 N 3.65 5.29 -0.52 1.68 1.01 0.61 -0.47 120.40 131.64 3i90 s VAL 30 Ca 0.40 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 62.29 3i90 s VAL 30 Cb -0.11 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.73 3i90 s VAL 30 CO 0.21 0.21 1.04 -0.75 0.00 0.00 0.00 175.10 175.81 3i90 s LYS 31 N 1.80 3.51 0.10 2.72 2.47 -0.17 -2.04 119.74 128.12 3i90 s LYS 31 Ca 0.08 0.14 -0.29 0.00 -1.56 0.00 0.00 55.97 54.34 3i90 s LYS 31 Cb -0.16 -3.98 -0.06 0.00 -1.46 0.00 0.00 37.83 32.17 3i90 s LYS 31 CO 0.11 -1.45 0.94 -1.58 0.16 0.00 0.00 175.35 173.53 3i90 s TRP 32 N 4.27 3.80 0.54 4.03 0.52 -1.26 -0.10 118.94 130.73 3i90 s TRP 32 Ca 0.39 1.76 -0.20 0.00 0.02 0.00 0.00 56.10 58.07 3i90 s TRP 32 Cb -0.09 -3.03 -0.06 0.00 -1.15 0.00 0.00 33.47 29.14 3i90 s TRP 32 CO 0.25 0.21 1.16 0.21 0.02 0.00 0.00 176.95 178.80 3i90 s LYS 33 N 0.03 3.35 -1.12 4.98 2.20 -0.76 -1.65 119.74 126.77 3i90 s LYS 33 Ca 0.46 1.72 -0.05 0.00 -0.36 0.00 0.00 55.97 57.74 3i90 s LYS 33 Cb -0.23 -2.08 0.28 0.00 -1.51 0.00 0.00 37.83 34.29 3i90 s LYS 33 CO 0.29 -0.87 1.56 0.41 -0.36 0.00 0.00 175.35 176.37 3i90 n GLY 34 N 0.32 5.11 3.88 5.54 0.00 -1.26 -4.82 105.19 113.95 3i90 n GLY 34 Ca 0.11 -2.57 -0.34 0.00 0.00 0.00 0.00 46.02 43.22 3i90 n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i90 s TRP 35 N -2.24 3.56 0.41 1.61 0.52 -0.66 -5.08 118.94 117.07 3i90 s TRP 35 Ca 0.33 0.65 -0.24 0.00 0.02 0.00 0.00 56.10 56.86 3i90 s TRP 35 Cb 0.06 -2.06 -0.11 0.00 -1.15 0.00 0.00 33.47 30.20 3i90 s TRP 35 CO 0.09 0.55 0.84 0.00 0.02 0.00 0.00 176.95 178.45 3i90 n ALA 36 N 0.86 -0.50 -0.27 0.98 0.00 -1.26 -4.69 120.51 115.63 3i90 n ALA 36 Ca -0.08 0.22 0.27 0.00 0.00 0.00 0.00 53.44 53.84 3i90 n ALA 36 Cb 0.52 -1.96 0.63 0.00 0.00 0.00 0.00 19.45 18.64 3i90 n ALA 36 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i90 h ILE 37 N 1.27 0.53 -0.32 0.00 2.04 -1.98 -1.87 117.51 117.18 3i90 h ILE 37 Ca -0.42 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.46 3i90 h ILE 37 Cb 1.36 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3i90 h ILE 37 CO 0.55 0.04 0.23 0.07 0.00 0.00 0.00 178.15 179.04 3i90 h LYS 38 N 0.20 0.00 -0.08 2.37 2.10 -2.01 -1.37 116.57 117.78 3i90 h LYS 38 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 3i90 h LYS 38 Cb 1.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.02 3i90 h LYS 38 CO -0.13 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.98 3i90 n TYR 39 N -4.41 0.10 -1.66 0.07 4.01 -0.70 -4.94 117.16 109.64 3i90 n TYR 39 Ca 0.05 -0.05 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 3i90 n TYR 39 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.42 3i90 n TYR 39 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3i90 n SER 40 N -0.24 2.30 -4.25 7.72 7.64 -0.52 -4.88 113.62 121.39 3i90 n SER 40 Ca 0.15 1.18 -0.24 0.00 1.01 0.00 0.00 58.87 60.98 3i90 n SER 40 Cb 0.20 -1.41 -0.13 0.00 -1.01 0.00 0.00 64.21 61.86 3i90 n SER 40 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i90 s THR 41 N -0.84 1.59 -0.08 0.44 -4.23 -0.87 -4.87 115.64 106.78 3i90 s THR 41 Ca 0.60 -1.37 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 3i90 s THR 41 Cb -0.63 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 3i90 s THR 41 CO 0.59 0.01 1.23 0.26 -0.54 0.00 0.00 174.62 176.17 3i90 s TRP 42 N -1.03 3.07 -0.01 3.99 0.52 -1.26 -0.28 118.94 123.94 3i90 s TRP 42 Ca 0.06 1.13 0.05 0.00 0.02 0.00 0.00 56.10 57.36 3i90 s TRP 42 Cb -0.09 -3.46 -0.01 0.00 -1.15 0.00 0.00 33.47 28.76 3i90 s TRP 42 CO 0.03 -1.48 -0.15 -1.21 0.02 0.00 0.00 176.95 174.16 3i90 s GLU 43 N 2.59 1.26 0.62 4.98 0.41 0.05 -4.92 118.70 123.69 3i90 s GLU 43 Ca 0.56 -0.54 -0.18 0.00 -0.41 0.00 0.00 54.97 54.39 3i90 s GLU 43 Cb -0.24 -1.21 -0.02 0.00 -1.78 0.00 0.00 34.13 30.88 3i90 s GLU 43 CO 0.20 0.32 1.26 -1.25 -0.49 0.00 0.00 175.26 175.31 3i90 s PRO 44 N -0.33 2.74 0.49 0.39 0.04 -1.26 -0.97 135.00 136.10 3i90 s PRO 44 Ca 0.05 1.98 0.19 0.00 0.04 0.00 0.00 61.00 63.26 3i90 s PRO 44 Cb -0.06 -1.90 1.23 0.00 0.04 0.00 0.00 34.50 33.82 3i90 s PRO 44 CO -0.00 -1.43 2.03 1.49 0.04 0.00 0.00 177.00 179.13 3i90 h GLU 45 N 0.72 0.14 0.00 4.56 4.81 -1.81 0.12 114.58 123.13 3i90 h GLU 45 Ca -0.51 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3i90 h GLU 45 Cb 1.32 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3i90 h GLU 45 CO 0.54 0.09 0.00 1.05 -0.73 0.00 0.00 179.01 179.96 3i90 h GLU 46 N 0.15 0.00 -0.00 1.92 9.09 -1.89 -2.06 114.58 121.78 3i90 h GLU 46 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 3i90 h GLU 46 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.68 3i90 h GLU 46 CO -0.03 0.00 -0.08 0.09 0.05 0.00 0.00 179.01 179.05 3i90 n ASN 47 N -2.59 0.17 -4.50 3.06 4.13 0.42 -4.55 115.26 111.40 3i90 n ASN 47 Ca -0.00 -0.07 -0.42 0.00 1.68 0.00 0.00 54.58 55.76 3i90 n ASN 47 Cb 0.15 -0.24 -0.03 0.00 -1.54 0.00 0.00 39.78 38.11 3i90 n ASN 47 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3i90 s ILE 48 N -2.72 4.21 0.04 2.41 -1.09 -0.78 -4.84 121.20 118.44 3i90 s ILE 48 Ca 0.23 -0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 57.99 3i90 s ILE 48 Cb 0.20 -4.86 -0.27 0.00 -1.58 0.00 0.00 42.46 35.95 3i90 s ILE 48 CO 0.51 -1.68 1.01 -0.07 -1.23 0.00 0.00 174.94 173.48 3i90 h LEU 49 N 11.81 0.32 -8.72 2.97 3.38 -1.87 -3.42 115.31 119.78 3i90 h LEU 49 Ca -0.04 -0.39 -0.67 0.00 0.09 0.00 0.00 57.88 56.87 3i90 h LEU 49 Cb 1.04 -0.10 -0.19 0.00 0.09 0.00 0.00 40.66 41.49 3i90 h LEU 49 CO 1.25 1.32 -0.51 -0.62 0.09 0.00 0.00 178.44 179.97 3i90 s ASP 50 N -6.94 5.91 0.07 -0.43 -1.08 -1.26 -4.96 116.67 107.97 3i90 s ASP 50 Ca -0.05 -0.36 0.17 0.00 -0.52 0.00 0.00 52.55 51.79 3i90 s ASP 50 Cb 0.07 -2.10 0.73 0.00 -1.46 0.00 0.00 42.92 40.17 3i90 s ASP 50 CO 0.86 -0.18 1.55 -1.54 0.52 0.00 0.00 175.17 176.37 3i90 n SER 51 N 5.06 0.17 0.25 -0.34 3.41 -1.26 -2.09 113.62 118.82 3i90 n SER 51 Ca -0.13 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.11 3i90 n SER 51 Cb 0.50 -0.58 0.64 0.00 -0.26 0.00 0.00 64.21 64.51 3i90 n SER 51 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3i90 h ARG 52 N 0.00 0.00 -0.34 4.33 3.08 -1.98 -0.77 114.38 118.70 3i90 h ARG 52 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i90 h ARG 52 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3i90 h ARG 52 CO 0.00 0.14 0.21 -0.07 -1.07 0.00 0.00 179.97 179.18 3i90 h LEU 53 N 0.00 0.40 -0.20 3.04 3.38 -1.83 -1.70 115.31 118.40 3i90 h LEU 53 Ca -0.00 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3i90 h LEU 53 Cb 0.29 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3i90 h LEU 53 CO 0.02 0.32 -0.22 0.40 0.09 0.00 0.00 178.44 179.06 3i90 h ILE 54 N 0.45 1.33 -0.27 1.22 2.04 -1.69 -2.69 117.51 117.90 3i90 h ILE 54 Ca 0.12 -1.39 0.06 0.00 1.00 0.00 0.00 64.86 64.66 3i90 h ILE 54 Cb -0.01 1.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 3i90 h ILE 54 CO -0.02 0.42 -0.15 0.00 0.00 0.00 0.00 178.15 178.40 3i90 h ALA 55 N 0.64 0.06 -0.59 1.87 0.00 -0.99 0.47 119.26 120.72 3i90 h ALA 55 Ca 0.03 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3i90 h ALA 55 Cb 0.77 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3i90 h ALA 55 CO 0.05 -0.55 0.01 0.00 0.00 0.00 0.00 179.25 178.76 3i90 h ALA 56 N 1.07 0.91 -0.09 0.00 0.00 -1.38 -2.30 119.26 117.47 3i90 h ALA 56 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i90 h ALA 56 Cb 0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i90 h ALA 56 CO -0.34 0.65 0.06 0.35 0.00 0.00 0.00 179.25 179.96 3i90 h PHE 57 N 0.93 0.11 0.00 0.00 3.57 -1.09 -2.64 116.94 117.82 3i90 h PHE 57 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3i90 h PHE 57 Cb 0.53 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3i90 h PHE 57 CO 0.04 0.08 0.00 0.39 -2.23 0.00 0.00 178.31 176.59 3i90 n GLU 58 N -5.02 0.25 0.00 1.11 1.02 0.11 -5.11 120.64 113.00 3i90 n GLU 58 Ca -0.05 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3i90 n GLU 58 Cb 0.04 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 3i90 n GLU 58 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35