#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9g s SER 2 N 0.00 6.44 -0.12 1.61 0.15 -1.26 -4.92 113.70 115.59 2d9g s SER 2 Ca 0.00 2.78 -0.27 0.00 0.70 0.00 0.00 55.95 59.16 2d9g s SER 2 Cb 0.00 -2.59 -0.24 0.00 -1.71 0.00 0.00 66.02 61.48 2d9g s SER 2 CO 0.00 -0.95 0.81 0.28 1.20 0.00 0.00 173.24 174.59 2d9g h SER 3 N 7.19 -0.00 0.00 5.45 0.02 -2.07 -3.48 113.55 120.65 2d9g h SER 3 Ca -0.43 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 59.64 2d9g h SER 3 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2d9g h SER 3 CO 0.95 0.90 0.00 0.61 -1.14 0.00 0.00 176.83 178.14 2d9g n GLY 4 N 1.41 3.01 3.80 -3.77 0.00 -1.26 -5.04 105.19 103.34 2d9g n GLY 4 Ca -0.09 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 2d9g n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d9g s SER 5 N 0.00 6.69 -0.22 1.61 0.15 -1.26 -5.04 113.70 115.63 2d9g s SER 5 Ca 0.00 1.85 -0.09 0.00 0.70 0.00 0.00 55.95 58.41 2d9g s SER 5 Cb 0.00 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2d9g s SER 5 CO 0.00 -0.54 0.11 -0.44 1.20 0.00 0.00 173.24 173.57 2d9g s SER 6 N -1.98 5.83 -0.29 5.45 0.01 -1.26 -5.05 113.70 116.40 2d9g s SER 6 Ca 0.63 0.07 0.04 0.00 1.31 0.00 0.00 55.95 58.00 2d9g s SER 6 Cb -0.14 -2.03 0.20 0.00 0.21 0.00 0.00 66.02 64.25 2d9g s SER 6 CO 0.18 0.10 0.59 -0.83 0.41 0.00 0.00 173.24 173.70 2d9g s GLY 7 N 0.83 -1.21 -0.09 3.44 0.00 -1.26 -5.05 107.32 103.98 2d9g s GLY 7 Ca 0.06 1.23 -0.00 0.00 0.00 0.00 0.00 44.72 46.00 2d9g s GLY 7 CO 0.02 3.62 0.01 -1.80 0.00 0.00 0.00 173.10 174.95 2d9g h ASP 8 N 8.00 -0.01 -3.97 1.64 3.58 -2.06 -3.47 116.42 120.14 2d9g h ASP 8 Ca -0.06 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.80 2d9g h ASP 8 Cb 1.18 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.92 2d9g h ASP 8 CO 0.17 0.45 -0.85 -1.83 -2.88 0.00 0.00 179.24 174.30 2d9g s GLU 9 N -1.52 1.97 0.00 0.28 4.04 -1.26 -5.01 118.70 117.20 2d9g s GLU 9 Ca -0.00 -0.69 0.00 0.00 0.04 0.00 0.00 54.97 54.32 2d9g s GLU 9 Cb 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 34.13 32.44 2d9g s GLU 9 CO 0.00 0.29 0.00 0.41 -1.84 0.00 0.00 175.26 174.13 2d9g n GLY 10 N 3.05 0.00 3.60 -3.83 0.00 -1.26 -5.02 105.19 101.72 2d9g n GLY 10 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 2d9g n GLY 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2d9g n TYR 11 N -2.36 0.54 -3.80 1.61 4.11 -1.26 -2.36 117.16 113.65 2d9g n TYR 11 Ca 0.00 0.41 -0.24 0.00 -0.00 0.00 0.00 57.90 58.07 2d9g n TYR 11 Cb 0.17 -2.08 -0.17 0.00 -0.00 0.00 0.00 39.34 37.26 2d9g n TYR 11 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 2d9g s TRP 12 N -1.68 0.83 0.11 -3.48 1.48 -0.71 -4.81 118.94 110.68 2d9g s TRP 12 Ca 0.74 -0.28 -0.31 0.00 -1.06 0.00 0.00 56.10 55.19 2d9g s TRP 12 Cb -0.38 -0.88 -0.10 0.00 -1.16 0.00 0.00 33.47 30.95 2d9g s TRP 12 CO 0.49 -0.36 1.74 0.16 -4.06 0.00 0.00 176.95 174.91 2d9g s ASP 13 N 1.91 6.51 0.93 -2.66 -4.77 -1.26 -3.64 116.67 113.68 2d9g s ASP 13 Ca 0.05 2.64 -0.12 0.00 -3.30 0.00 0.00 52.55 51.82 2d9g s ASP 13 Cb -0.12 -2.57 0.15 0.00 -1.09 0.00 0.00 42.92 39.29 2d9g s ASP 13 CO -0.06 -0.94 1.10 0.00 0.70 0.00 0.00 175.17 175.97 2d9g n SER 15 N -3.95 3.12 0.01 0.00 7.64 -1.26 -3.79 113.62 115.40 2d9g n SER 15 Ca 0.06 -0.02 -0.02 0.00 1.01 0.00 0.00 58.87 59.90 2d9g n SER 15 Cb 0.56 0.34 -0.01 0.00 -1.01 0.00 0.00 64.21 64.09 2d9g n SER 15 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2d9g h VAL 16 N 0.00 0.00 -0.40 0.44 2.07 -1.99 -3.38 116.25 112.99 2d9g h VAL 16 Ca -0.22 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2d9g h VAL 16 Cb 1.43 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2d9g h VAL 16 CO -0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.58 2d9g n THR 18 N 1.12 -0.15 -2.75 0.00 5.66 -1.25 -4.86 114.28 112.05 2d9g n THR 18 Ca 0.16 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.79 2d9g n THR 18 Cb 0.51 -0.43 -0.06 0.00 -1.55 0.00 0.00 70.33 68.80 2d9g n THR 18 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2d9g s PHE 19 N -2.34 3.74 -0.29 1.09 5.36 -1.26 -4.45 117.98 119.82 2d9g s PHE 19 Ca 0.16 1.81 -0.29 0.00 -0.96 0.00 0.00 56.93 57.65 2d9g s PHE 19 Cb -0.09 -2.96 -0.01 0.00 -0.34 0.00 0.00 43.02 39.63 2d9g s PHE 19 CO 0.20 0.20 1.39 0.50 -1.46 0.00 0.00 175.22 176.05 2d9g s ARG 20 N -1.86 3.86 0.31 10.12 3.52 -1.26 -2.92 118.95 130.72 2d9g s ARG 20 Ca 0.48 1.33 0.10 0.00 -0.13 0.00 0.00 55.73 57.51 2d9g s ARG 20 Cb -0.21 -3.93 -0.05 0.00 -1.56 0.00 0.00 34.95 29.20 2d9g s ARG 20 CO 0.26 -1.19 -0.05 -0.80 -0.81 0.00 0.00 175.30 172.71 2d9g s ASN 21 N 3.23 4.08 0.31 -2.12 0.01 -1.24 -5.00 114.94 114.22 2d9g s ASN 21 Ca 0.60 -0.94 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 2d9g s ASN 21 Cb -0.19 -0.53 -0.04 0.00 0.41 0.00 0.00 41.25 40.91 2d9g s ASN 21 CO 0.25 -0.11 0.50 -0.44 -1.51 0.00 0.00 177.10 175.80 2d9g s SER 22 N -3.65 6.32 0.13 -1.22 0.01 -1.26 -1.73 113.70 112.31 2d9g s SER 22 Ca 0.33 0.42 -0.19 0.00 1.31 0.00 0.00 55.95 57.82 2d9g s SER 22 Cb -0.03 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 64.14 2d9g s SER 22 CO 0.18 -0.22 1.78 0.00 0.41 0.00 0.00 173.24 175.39 2d9g h ALA 23 N 1.06 0.33 -0.69 1.44 0.00 -1.78 -2.84 119.26 116.78 2d9g h ALA 23 Ca -0.50 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.53 2d9g h ALA 23 Cb 1.21 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 2d9g h ALA 23 CO 0.63 -0.20 -0.14 0.93 0.00 0.00 0.00 179.25 180.47 2d9g h GLU 24 N 0.35 0.02 -6.28 0.00 4.39 -1.95 -3.37 114.58 107.73 2d9g h GLU 24 Ca 0.09 -0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.22 2d9g h GLU 24 Cb -0.03 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2d9g h GLU 24 CO -0.02 0.01 1.18 0.00 -1.16 0.00 0.00 179.01 179.02 2d9g s ALA 25 N -6.22 3.15 0.17 3.43 0.00 -1.07 -4.88 121.76 116.34 2d9g s ALA 25 Ca -0.14 0.43 -0.10 0.00 0.00 0.00 0.00 51.96 52.15 2d9g s ALA 25 Cb 0.20 -3.91 0.05 0.00 0.00 0.00 0.00 23.12 19.47 2d9g s ALA 25 CO 0.74 -2.16 1.62 0.27 0.00 0.00 0.00 175.76 176.23 2d9g h PHE 26 N 11.44 1.15 -2.03 0.00 -0.00 -1.83 -3.44 116.94 122.23 2d9g h PHE 26 Ca -0.34 -0.21 -0.55 0.00 -0.00 0.00 0.00 57.97 56.87 2d9g h PHE 26 Cb 1.16 -0.30 -0.08 0.00 -0.00 0.00 0.00 35.95 36.73 2d9g h PHE 26 CO 0.93 1.03 -0.59 -1.59 -0.00 0.00 0.00 178.31 178.09 2d9g s LYS 27 N -4.98 2.34 0.87 6.09 0.00 -1.26 -4.12 119.74 118.68 2d9g s LYS 27 Ca -0.12 -1.49 -0.11 0.00 0.00 0.00 0.00 55.97 54.26 2d9g s LYS 27 Cb 0.13 -2.17 0.11 0.00 0.00 0.00 0.00 37.83 35.91 2d9g s LYS 27 CO 0.86 0.23 1.10 0.00 0.00 0.00 0.00 175.35 177.54 2d9g n MET 29 N -3.88 1.69 0.04 0.00 1.56 -1.26 -3.59 117.12 111.67 2d9g n MET 29 Ca 0.09 0.01 -0.02 0.00 -0.27 0.00 0.00 57.70 57.51 2d9g n MET 29 Cb 0.53 -1.33 -0.01 0.00 2.15 0.00 0.00 33.22 34.56 2d9g n MET 29 CO 0.00 0.00 0.00 1.98 -0.73 0.00 0.00 175.97 177.22 2d9g h MET 30 N 0.00 -0.11 0.00 2.12 1.85 -1.96 -3.38 114.93 113.45 2d9g h MET 30 Ca -0.35 0.01 -0.14 0.00 -0.61 0.00 0.00 59.70 58.60 2d9g h MET 30 Cb 1.77 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.80 2d9g h MET 30 CO 0.01 -0.07 -1.12 0.00 -0.40 0.00 0.00 176.91 175.32 2d9g n ASP 32 N -2.97 -3.05 -4.89 0.00 2.03 -1.24 -5.02 116.55 101.41 2d9g n ASP 32 Ca -0.06 -0.35 -0.33 0.00 0.52 0.00 0.00 54.79 54.57 2d9g n ASP 32 Cb 0.79 -3.25 -0.05 0.00 -0.72 0.00 0.00 41.12 37.89 2d9g n ASP 32 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2d9g s VAL 33 N -3.21 5.26 0.46 5.18 0.11 -1.26 -4.77 120.40 122.17 2d9g s VAL 33 Ca 0.14 0.09 -0.24 0.00 -2.93 0.00 0.00 61.98 59.03 2d9g s VAL 33 Cb -0.06 -3.60 -0.07 0.00 -1.53 0.00 0.00 36.38 31.12 2d9g s VAL 33 CO 0.44 0.25 1.37 -0.60 -3.33 0.00 0.00 175.10 173.22 2d9g s ARG 34 N -2.09 3.63 0.06 1.54 3.00 -1.26 -2.77 118.95 121.05 2d9g s ARG 34 Ca 0.32 2.28 0.02 0.00 -1.00 0.00 0.00 55.73 57.35 2d9g s ARG 34 Cb -0.13 -2.57 -0.04 0.00 0.00 0.00 0.00 34.95 32.21 2d9g s ARG 34 CO 0.20 -0.82 0.08 -1.59 0.00 0.00 0.00 175.30 173.18 2d9g s LYS 35 N -2.52 2.95 -0.34 5.12 -2.85 -1.26 -4.94 119.74 115.89 2d9g s LYS 35 Ca 0.63 -0.62 -0.02 0.00 -1.00 0.00 0.00 55.97 54.95 2d9g s LYS 35 Cb -0.41 -2.77 0.27 0.00 -2.06 0.00 0.00 37.83 32.86 2d9g s LYS 35 CO 0.51 0.59 1.20 0.41 0.10 0.00 0.00 175.35 178.16 2d9g n GLY 36 N 0.65 -1.60 0.12 0.59 0.00 -1.26 -5.00 105.19 98.70 2d9g n GLY 36 Ca -0.10 0.93 -0.17 0.00 0.00 0.00 0.00 46.02 46.69 2d9g n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2d9g n THR 37 N 1.56 1.62 -3.88 2.61 -2.24 -1.26 -4.93 114.28 107.76 2d9g n THR 37 Ca 0.02 -0.68 -0.36 0.00 -2.27 0.00 0.00 64.05 60.76 2d9g n THR 37 Cb 0.70 -1.36 -0.06 0.00 -2.10 0.00 0.00 70.33 67.51 2d9g n THR 37 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2d9g s SER 38 N -6.53 6.39 0.21 3.42 0.15 -1.26 -5.01 113.70 111.07 2d9g s SER 38 Ca -0.22 0.45 -0.10 0.00 0.70 0.00 0.00 55.95 56.78 2d9g s SER 38 Cb 0.07 -2.06 0.27 0.00 -1.71 0.00 0.00 66.02 62.60 2d9g s SER 38 CO 0.73 0.37 1.73 0.74 1.20 0.00 0.00 173.24 178.01 2d9g h THR 39 N 3.65 0.72 -1.56 6.45 2.02 -2.04 -3.39 112.91 118.76 2d9g h THR 39 Ca -0.53 -0.11 -0.57 0.00 0.77 0.00 0.00 66.41 65.97 2d9g h THR 39 Cb 1.22 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2d9g h THR 39 CO 0.61 0.06 1.54 0.54 0.37 0.00 0.00 175.52 178.64 2d9g n ARG 40 N -5.05 1.39 -1.70 6.66 3.00 -1.26 -4.90 116.66 114.79 2d9g n ARG 40 Ca 0.08 0.29 -0.38 0.00 -0.01 0.00 0.00 57.85 57.84 2d9g n ARG 40 Cb 0.29 -3.04 0.06 0.00 0.00 0.00 0.00 32.46 29.77 2d9g n ARG 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2d9g n LYS 41 N 8.70 1.17 -2.06 5.56 5.02 -1.26 -4.88 118.16 130.41 2d9g n LYS 41 Ca 0.37 0.45 -0.41 0.00 -2.02 0.00 0.00 58.31 56.69 2d9g n LYS 41 Cb 0.41 -2.42 -0.03 0.00 -0.02 0.00 0.00 35.03 32.96 2d9g n LYS 41 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2d9g s PRO 42 N -3.07 3.06 -0.18 1.97 0.04 -1.26 -4.98 135.00 130.58 2d9g s PRO 42 Ca 0.78 1.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.70 2d9g s PRO 42 Cb -0.40 -4.26 -0.05 0.00 0.04 0.00 0.00 34.50 29.84 2d9g s PRO 42 CO 0.44 -2.19 0.26 0.50 0.04 0.00 0.00 177.00 176.05 2d9g s ARG 43 N 6.15 4.22 0.97 4.56 6.06 -1.26 -5.09 118.95 134.56 2d9g s ARG 43 Ca 0.72 0.00 -0.12 0.00 -2.50 0.00 0.00 55.73 53.83 2d9g s ARG 43 Cb -0.17 -3.45 0.17 0.00 0.06 0.00 0.00 34.95 31.56 2d9g s ARG 43 CO 0.28 0.20 1.09 -1.25 -2.50 0.00 0.00 175.30 173.12 2d9g s PRO 44 N 0.61 0.65 -0.03 5.12 0.04 -1.26 -5.08 135.00 135.06 2d9g s PRO 44 Ca 0.14 0.60 0.01 0.00 0.04 0.00 0.00 61.00 61.79 2d9g s PRO 44 Cb -0.13 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.68 2d9g s PRO 44 CO 0.03 -2.60 -0.02 0.54 0.04 0.00 0.00 177.00 174.99 2d9g s VAL 45 N -2.96 0.33 -0.01 -0.36 0.11 -1.26 -5.05 120.40 111.20 2d9g s VAL 45 Ca 0.65 -0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 59.45 2d9g s VAL 45 Cb -0.18 -0.38 -0.22 0.00 -1.53 0.00 0.00 36.38 34.07 2d9g s VAL 45 CO 0.57 0.16 1.10 0.28 -3.33 0.00 0.00 175.10 173.88 2d9g h SER 46 N 7.02 0.39 -3.48 3.54 0.02 -2.06 -3.45 113.55 115.54 2d9g h SER 46 Ca -0.39 -0.74 -0.33 0.00 -0.84 0.00 0.00 61.79 59.50 2d9g h SER 46 Cb 1.15 -0.12 -0.35 0.00 0.14 0.00 0.00 62.40 63.22 2d9g h SER 46 CO 0.48 1.07 -0.74 0.00 -1.14 0.00 0.00 176.83 176.51 2d9g s GLN 47 N -3.29 0.06 -0.14 3.45 -2.07 -1.26 -5.13 119.66 111.28 2d9g s GLN 47 Ca -0.14 0.18 -0.23 0.00 -1.82 0.00 0.00 55.36 53.35 2d9g s GLN 47 Cb 0.03 -0.37 -0.03 0.00 -1.09 0.00 0.00 33.01 31.55 2d9g s GLN 47 CO 0.78 -0.19 0.71 0.45 -1.32 0.00 0.00 175.29 175.72 2d9g s SER 48 N 1.24 6.87 0.00 12.60 0.15 -1.26 -5.00 113.70 128.30 2d9g s SER 48 Ca -0.07 1.05 0.00 0.00 0.70 0.00 0.00 55.95 57.63 2d9g s SER 48 Cb -0.13 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2d9g s SER 48 CO -0.03 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2d9g n GLY 49 N 3.44 0.57 3.77 9.45 0.00 -1.26 -5.17 105.19 115.99 2d9g n GLY 49 Ca 0.00 0.64 -0.33 0.00 0.00 0.00 0.00 46.02 46.33 2d9g n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9g s PRO 50 N 0.00 2.80 -0.01 1.61 0.04 -1.26 -5.00 135.00 133.18 2d9g s PRO 50 Ca 0.00 1.39 -0.19 0.00 0.04 0.00 0.00 61.00 62.24 2d9g s PRO 50 Cb 0.00 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 2d9g s PRO 50 CO 0.00 -1.25 0.86 1.03 0.04 0.00 0.00 177.00 177.68 2d9g h SER 51 N 0.02 -0.58 0.11 6.66 0.87 -2.04 -3.37 113.55 115.22 2d9g h SER 51 Ca -0.47 0.02 -0.23 0.00 -1.23 0.00 0.00 61.79 59.88 2d9g h SER 51 Cb 1.25 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 2d9g h SER 51 CO 0.54 -0.23 -1.15 0.77 -0.53 0.00 0.00 176.83 176.23 2d9g h SER 52 N -1.06 0.35 0.00 6.23 4.64 -2.09 -3.58 113.55 118.05 2d9g h SER 52 Ca -0.07 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 60.38 2d9g h SER 52 Cb 0.53 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2d9g h SER 52 CO 0.12 1.51 0.00 0.61 -0.87 0.00 0.00 176.83 178.20