#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i90 s VAL 10 N 0.00 3.98 0.09 5.15 1.01 -1.26 -5.11 120.40 124.26 3i90 s VAL 10 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3i90 s VAL 10 Cb 0.00 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3i90 s VAL 10 CO 0.00 0.56 0.13 -0.36 0.00 0.00 0.00 175.10 175.43 3i90 s PHE 11 N -0.37 0.30 -0.02 5.22 0.08 -1.26 -5.14 117.98 116.79 3i90 s PHE 11 Ca 0.06 -0.75 -0.30 0.00 0.12 0.00 0.00 56.93 56.06 3i90 s PHE 11 Cb -0.12 -0.16 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 3i90 s PHE 11 CO 0.02 -0.51 1.21 0.00 -0.10 0.00 0.00 175.22 175.84 3i90 s ALA 12 N -3.89 3.46 -0.14 5.36 0.00 -1.26 -5.01 121.76 120.27 3i90 s ALA 12 Ca 0.07 0.70 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 3i90 s ALA 12 Cb 0.06 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3i90 s ALA 12 CO -0.09 -0.66 -0.02 0.00 0.00 0.00 0.00 175.76 174.99 3i90 s ALA 13 N 1.85 3.11 0.02 0.00 0.00 -1.26 -0.93 121.76 124.54 3i90 s ALA 13 Ca 0.57 -0.81 -0.21 0.00 0.00 0.00 0.00 51.96 51.51 3i90 s ALA 13 Cb -0.26 -1.58 -0.17 0.00 0.00 0.00 0.00 23.12 21.10 3i90 s ALA 13 CO 0.25 0.29 1.25 0.93 0.00 0.00 0.00 175.76 178.48 3i90 h GLU 14 N 6.38 0.33 -2.32 0.00 5.08 -1.20 -3.44 114.58 119.42 3i90 h GLU 14 Ca -0.36 -0.22 0.12 0.00 -1.00 0.00 0.00 59.36 57.89 3i90 h GLU 14 Cb 1.19 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 3i90 h GLU 14 CO 0.62 0.83 0.48 -1.54 -1.00 0.00 0.00 179.01 178.40 3i90 s SER 15 N -6.25 -0.34 -0.12 1.42 1.04 -1.20 -5.04 113.70 103.21 3i90 s SER 15 Ca -0.14 -0.08 -0.20 0.00 0.48 0.00 0.00 55.95 56.01 3i90 s SER 15 Cb 0.04 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 3i90 s SER 15 CO 0.76 -0.69 0.55 -0.63 0.98 0.00 0.00 173.24 174.20 3i90 s ILE 16 N -3.18 5.13 -0.17 -1.02 1.01 -1.26 -0.83 121.20 120.88 3i90 s ILE 16 Ca 0.06 1.09 -0.08 0.00 0.00 0.00 0.00 60.65 61.72 3i90 s ILE 16 Cb -0.01 -3.88 -0.22 0.00 0.01 0.00 0.00 42.46 38.36 3i90 s ILE 16 CO -0.07 0.28 0.18 -0.38 0.00 0.00 0.00 174.94 174.95 3i90 n ILE 17 N 3.86 1.67 -3.79 2.92 5.41 0.90 -4.84 119.36 125.49 3i90 n ILE 17 Ca -0.05 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.10 3i90 n ILE 17 Cb 0.51 -1.75 -0.06 0.00 -0.71 0.00 0.00 39.64 37.63 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 -2.51 0.96 0.13 0.38 -0.14 -1.25 -5.00 119.74 112.31 3i90 s LYS 18 Ca -0.27 -0.90 0.11 0.00 -1.36 0.00 0.00 55.97 53.55 3i90 s LYS 18 Cb 0.07 0.39 -0.04 0.00 -1.68 0.00 0.00 37.83 36.57 3i90 s LYS 18 CO 0.69 -0.34 -0.26 0.50 -0.76 0.00 0.00 175.35 175.18 3i90 s ARG 19 N -3.85 1.45 0.15 1.68 3.52 -1.26 -0.29 118.95 120.34 3i90 s ARG 19 Ca 0.06 -1.34 -0.01 0.00 -0.13 0.00 0.00 55.73 54.31 3i90 s ARG 19 Cb 0.04 -1.93 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 3i90 s ARG 19 CO -0.10 0.45 0.07 -0.98 -0.81 0.00 0.00 175.30 173.93 3i90 s ARG 20 N -2.10 1.00 -0.17 5.12 1.70 0.54 -4.96 118.95 120.07 3i90 s ARG 20 Ca 0.15 -1.49 0.01 0.00 -0.47 0.00 0.00 55.73 53.93 3i90 s ARG 20 Cb -0.10 0.24 0.03 0.00 -0.57 0.00 0.00 34.95 34.55 3i90 s ARG 20 CO 0.07 -0.29 -0.12 0.42 -1.08 0.00 0.00 175.30 174.29 3i90 s ILE 21 N -4.07 1.61 -0.05 4.99 1.01 -1.26 -0.23 121.20 123.19 3i90 s ILE 21 Ca 0.28 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 3i90 s ILE 21 Cb 0.07 -1.60 0.03 0.00 0.01 0.00 0.00 42.46 40.97 3i90 s ILE 21 CO 0.04 0.31 0.03 -0.13 0.00 0.00 0.00 174.94 175.19 3i90 s ARG 22 N 1.44 0.29 6.07 2.79 1.81 -0.03 -4.89 118.95 126.44 3i90 s ARG 22 Ca 0.02 0.21 0.00 0.00 -1.72 0.00 0.00 55.73 54.24 3i90 s ARG 22 Cb -0.15 -0.72 0.00 0.00 -0.45 0.00 0.00 34.95 33.63 3i90 s ARG 22 CO -0.09 -0.29 0.00 1.63 -0.68 0.00 0.00 175.30 175.86 3i90 n LYS 23 N 5.08 0.00 -0.91 3.54 4.01 -1.26 -2.85 118.16 125.77 3i90 n LYS 23 Ca -0.08 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.69 3i90 n LYS 23 Cb 0.50 0.00 0.29 0.00 -0.51 0.00 0.00 35.03 35.32 3i90 n LYS 23 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i90 n GLY 24 N 0.00 3.82 3.35 0.72 0.00 -1.26 -5.00 105.19 106.82 3i90 n GLY 24 Ca 0.00 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.99 2.48 -0.06 1.61 1.81 -1.13 -5.12 118.95 115.55 3i90 s ARG 25 Ca 0.52 -0.83 -0.26 0.00 -1.72 0.00 0.00 55.73 53.45 3i90 s ARG 25 Cb 0.42 -2.23 -0.03 0.00 -0.45 0.00 0.00 34.95 32.66 3i90 s ARG 25 CO 0.12 0.50 0.81 0.42 -0.68 0.00 0.00 175.30 176.47 3i90 s ILE 26 N -0.43 4.96 0.06 1.52 1.01 -1.26 -0.85 121.20 126.21 3i90 s ILE 26 Ca 0.05 1.68 0.07 0.00 0.00 0.00 0.00 60.65 62.45 3i90 s ILE 26 Cb -0.12 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 3i90 s ILE 26 CO 0.01 0.19 -0.19 -1.61 0.00 0.00 0.00 174.94 173.34 3i90 s GLU 27 N 1.08 1.23 0.00 2.79 2.02 0.67 -1.35 118.70 125.15 3i90 s GLU 27 Ca 0.42 -0.97 0.07 0.00 0.02 0.00 0.00 54.97 54.52 3i90 s GLU 27 Cb -0.19 -1.36 -0.02 0.00 0.10 0.00 0.00 34.13 32.66 3i90 s GLU 27 CO 0.20 0.34 -0.23 0.71 0.02 0.00 0.00 175.26 176.31 3i90 s TYR 28 N -0.92 2.00 -0.34 1.61 2.02 0.57 -0.34 117.35 121.95 3i90 s TYR 28 Ca 0.06 -0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.17 3i90 s TYR 28 Cb -0.09 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.22 3i90 s TYR 28 CO 0.02 0.02 0.68 -1.17 -1.57 0.00 0.00 175.55 173.53 3i90 s LEU 29 N -0.77 4.19 -0.25 -1.29 2.96 0.60 0.07 118.68 124.20 3i90 s LEU 29 Ca 0.09 0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 54.19 3i90 s LEU 29 Cb -0.09 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 3i90 s LEU 29 CO 0.00 -0.61 0.12 -0.69 -1.32 0.00 0.00 176.35 173.85 3i90 s VAL 30 N 2.80 4.81 -0.18 1.68 1.01 0.13 -0.07 120.40 130.57 3i90 s VAL 30 Ca 0.27 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 3i90 s VAL 30 Cb -0.14 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 3i90 s VAL 30 CO 0.15 0.33 1.10 -0.75 0.00 0.00 0.00 175.10 175.92 3i90 s LYS 31 N 1.43 4.28 0.05 2.72 2.47 -0.01 -2.32 119.74 128.37 3i90 s LYS 31 Ca 0.06 1.45 -0.19 0.00 -1.56 0.00 0.00 55.97 55.74 3i90 s LYS 31 Cb -0.15 -3.65 -0.06 0.00 -1.46 0.00 0.00 37.83 32.51 3i90 s LYS 31 CO 0.06 -0.59 0.55 -1.58 0.16 0.00 0.00 175.35 173.95 3i90 s TRP 32 N 3.02 3.77 0.16 4.03 0.52 -1.26 -0.75 118.94 128.43 3i90 s TRP 32 Ca 0.48 1.22 -0.30 0.00 0.02 0.00 0.00 56.10 57.51 3i90 s TRP 32 Cb -0.18 -2.49 -0.07 0.00 -1.15 0.00 0.00 33.47 29.58 3i90 s TRP 32 CO 0.11 0.55 1.15 0.21 0.02 0.00 0.00 176.95 178.99 3i90 s LYS 33 N -0.92 4.52 0.00 4.98 2.20 -0.11 -2.42 119.74 127.99 3i90 s LYS 33 Ca 0.28 1.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.68 3i90 s LYS 33 Cb -0.19 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 3i90 s LYS 33 CO 0.18 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 3i90 n GLY 34 N 2.34 0.65 3.41 5.54 0.00 -1.26 -4.85 105.19 111.01 3i90 n GLY 34 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.77 2.47 0.49 1.61 0.52 -1.02 -5.10 118.94 115.14 3i90 s TRP 35 Ca 0.00 -0.31 -0.23 0.00 0.02 0.00 0.00 56.10 55.58 3i90 s TRP 35 Cb 0.00 -1.46 -0.08 0.00 -1.15 0.00 0.00 33.47 30.78 3i90 s TRP 35 CO 0.00 0.18 1.12 0.00 0.02 0.00 0.00 176.95 178.27 3i90 n ALA 36 N 1.76 0.70 -0.33 0.98 0.00 -1.26 -4.64 120.51 117.73 3i90 n ALA 36 Ca -0.16 0.17 0.21 0.00 0.00 0.00 0.00 53.44 53.66 3i90 n ALA 36 Cb 0.52 -2.18 0.43 0.00 0.00 0.00 0.00 19.45 18.22 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 1.41 0.30 -1.06 0.00 2.04 -1.99 0.47 117.51 118.68 3i90 h ILE 37 Ca -0.47 -0.10 0.29 0.00 1.00 0.00 0.00 64.86 65.57 3i90 h ILE 37 Cb 1.33 -0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 3i90 h ILE 37 CO 0.56 0.05 0.72 0.50 0.00 0.00 0.00 178.15 179.99 3i90 h LYS 38 N 0.30 0.20 -0.44 2.37 3.64 -2.01 -1.02 116.57 119.60 3i90 h LYS 38 Ca 0.69 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.06 3i90 h LYS 38 Cb 1.54 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 3i90 h LYS 38 CO -0.62 0.13 0.00 0.66 -2.27 0.00 0.00 179.45 177.35 3i90 n TYR 39 N -4.42 0.53 -1.84 1.91 4.01 0.16 -4.92 117.16 112.57 3i90 n TYR 39 Ca 0.24 -0.23 -0.37 0.00 -0.16 0.00 0.00 57.90 57.38 3i90 n TYR 39 Cb 1.00 -0.07 0.04 0.00 -0.31 0.00 0.00 39.34 40.01 3i90 n TYR 39 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3i90 s SER 40 N -0.83 5.12 0.05 7.72 0.01 -0.39 -4.84 113.70 120.53 3i90 s SER 40 Ca 0.21 2.63 0.03 0.00 1.31 0.00 0.00 55.95 60.13 3i90 s SER 40 Cb 0.12 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 3i90 s SER 40 CO 0.12 -1.66 -0.10 0.42 0.41 0.00 0.00 173.24 172.43 3i90 s THR 41 N -1.39 0.75 -0.09 1.44 -4.23 -0.98 -4.89 115.64 106.24 3i90 s THR 41 Ca 0.75 -1.07 -0.30 0.00 -1.18 0.00 0.00 61.69 59.90 3i90 s THR 41 Cb -0.37 -0.76 -0.02 0.00 1.34 0.00 0.00 72.50 72.69 3i90 s THR 41 CO 0.42 -0.26 1.13 0.26 -0.54 0.00 0.00 174.62 175.63 3i90 s TRP 42 N -1.20 3.27 -0.01 3.99 0.52 -1.26 -0.69 118.94 123.56 3i90 s TRP 42 Ca -0.06 1.33 0.05 0.00 0.02 0.00 0.00 56.10 57.45 3i90 s TRP 42 Cb -0.09 -3.34 -0.01 0.00 -1.15 0.00 0.00 33.47 28.87 3i90 s TRP 42 CO 0.01 -0.94 -0.16 -1.21 0.02 0.00 0.00 176.95 174.66 3i90 s GLU 43 N 2.32 1.29 0.41 4.98 0.41 0.11 -4.91 118.70 123.31 3i90 s GLU 43 Ca 0.53 -0.61 -0.25 0.00 -0.41 0.00 0.00 54.97 54.23 3i90 s GLU 43 Cb -0.22 -1.26 -0.11 0.00 -1.78 0.00 0.00 34.13 30.76 3i90 s GLU 43 CO 0.19 0.34 1.03 -0.35 -0.49 0.00 0.00 175.26 175.98 3i90 n PRO 44 N 2.58 1.40 -0.04 0.39 -0.04 -1.26 -0.31 135.00 137.72 3i90 n PRO 44 Ca -0.15 0.50 0.16 0.00 -0.04 0.00 0.00 63.50 63.97 3i90 n PRO 44 Cb 0.54 -2.06 0.59 0.00 -0.04 0.00 0.00 33.50 32.54 3i90 n PRO 44 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3i90 h GLU 45 N 1.62 0.20 0.00 0.54 4.11 -1.57 0.15 114.58 119.63 3i90 h GLU 45 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3i90 h GLU 45 Cb 1.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3i90 h GLU 45 CO 0.57 0.13 0.03 1.05 0.07 0.00 0.00 179.01 180.87 3i90 h GLU 46 N 0.21 0.00 -0.01 1.06 9.09 -1.90 -0.41 114.58 122.63 3i90 h GLU 46 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.68 3i90 h GLU 46 Cb 0.76 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 3i90 h GLU 46 CO -0.05 0.00 -0.29 0.09 0.05 0.00 0.00 179.01 178.82 3i90 n ASN 47 N -2.67 0.95 -4.54 3.06 5.03 0.53 -4.56 115.26 113.06 3i90 n ASN 47 Ca -0.02 -0.80 -0.41 0.00 0.87 0.00 0.00 54.58 54.21 3i90 n ASN 47 Cb 0.08 0.15 -0.03 0.00 -1.02 0.00 0.00 39.78 38.96 3i90 n ASN 47 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i90 s ILE 48 N -2.56 4.00 0.12 2.41 -1.09 -0.16 -4.86 121.20 119.06 3i90 s ILE 48 Ca 0.23 -0.67 -0.08 0.00 -2.23 0.00 0.00 60.65 57.89 3i90 s ILE 48 Cb 0.19 -4.99 -0.15 0.00 -1.58 0.00 0.00 42.46 35.92 3i90 s ILE 48 CO 0.54 -1.86 1.33 -0.07 -1.23 0.00 0.00 174.94 173.65 3i90 h LEU 49 N 12.49 0.75 -8.78 2.97 3.38 -1.86 -3.41 115.31 120.85 3i90 h LEU 49 Ca 0.11 -0.52 -0.65 0.00 0.09 0.00 0.00 57.88 56.91 3i90 h LEU 49 Cb 1.02 -0.22 -0.16 0.00 0.09 0.00 0.00 40.66 41.39 3i90 h LEU 49 CO 1.36 1.30 -0.17 -0.62 0.09 0.00 0.00 178.44 180.40 3i90 s ASP 50 N -7.09 6.26 0.59 -0.43 -1.08 -1.26 -4.97 116.67 108.69 3i90 s ASP 50 Ca -0.08 -0.06 0.32 0.00 -0.52 0.00 0.00 52.55 52.21 3i90 s ASP 50 Cb 0.09 -2.23 1.88 0.00 -1.46 0.00 0.00 42.92 41.19 3i90 s ASP 50 CO 0.88 -0.38 2.25 0.77 0.52 0.00 0.00 175.17 179.21 3i90 h SER 51 N 8.41 0.00 0.26 -0.34 4.64 -2.03 -2.25 113.55 122.25 3i90 h SER 51 Ca -0.29 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 3i90 h SER 51 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3i90 h SER 51 CO 0.72 0.02 -0.08 0.03 -0.87 0.00 0.00 176.83 176.65 3i90 h ARG 52 N 0.00 0.00 -0.32 4.77 3.08 -1.97 -2.27 114.38 117.68 3i90 h ARG 52 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3i90 h ARG 52 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3i90 h ARG 52 CO 0.00 0.08 -0.00 -0.07 -1.07 0.00 0.00 179.97 178.91 3i90 h LEU 53 N 0.00 0.55 -0.01 3.04 3.38 -1.81 -2.01 115.31 118.45 3i90 h LEU 53 Ca -0.00 -0.31 -0.21 0.00 0.09 0.00 0.00 57.88 57.45 3i90 h LEU 53 Cb 0.24 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 40.86 3i90 h LEU 53 CO 0.01 0.73 -0.83 0.40 0.09 0.00 0.00 178.44 178.84 3i90 h ILE 54 N 0.36 1.35 -0.99 1.22 2.04 -1.69 -2.66 117.51 117.14 3i90 h ILE 54 Ca 0.09 -2.15 0.09 0.00 1.00 0.00 0.00 64.86 63.89 3i90 h ILE 54 Cb 0.45 2.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.91 3i90 h ILE 54 CO 0.02 0.65 0.63 0.00 0.00 0.00 0.00 178.15 179.45 3i90 h ALA 55 N 0.37 1.49 -0.00 1.87 0.00 -1.45 -2.14 119.26 119.41 3i90 h ALA 55 Ca -0.10 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3i90 h ALA 55 Cb 1.50 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3i90 h ALA 55 CO 0.16 0.31 -0.76 0.00 0.00 0.00 0.00 179.25 178.96 3i90 h ALA 56 N 1.51 0.73 -0.85 0.00 0.00 -1.34 -3.01 119.26 116.31 3i90 h ALA 56 Ca 0.46 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3i90 h ALA 56 Cb 0.35 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3i90 h ALA 56 CO -0.21 0.94 0.56 0.35 0.00 0.00 0.00 179.25 180.88 3i90 h PHE 57 N 0.02 1.05 0.00 0.00 3.04 -1.08 -3.51 116.94 116.46 3i90 h PHE 57 Ca -0.01 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.96 3i90 h PHE 57 Cb 1.35 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 39.51 3i90 h PHE 57 CO 0.00 0.64 0.00 -1.91 -2.02 0.00 0.00 178.31 175.02