#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 4.81 -0.03 1.61 0.01 -1.26 -5.09 113.70 113.75 2d9g s SER 2 Ca 0.00 0.42 -0.01 0.00 1.31 0.00 0.00 55.95 57.67 2d9g s SER 2 Cb 0.00 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.13 2d9g s SER 2 CO 0.00 -1.59 0.07 -0.94 0.41 0.00 0.00 173.24 171.18 2d9g s SER 3 N -4.52 5.62 -0.03 2.44 1.04 -1.26 -5.06 113.70 111.93 2d9g s SER 3 Ca 0.60 0.16 -0.02 0.00 0.48 0.00 0.00 55.95 57.18 2d9g s SER 3 Cb -0.11 -1.62 -0.01 0.00 0.10 0.00 0.00 66.02 64.39 2d9g s SER 3 CO 0.44 0.30 -0.03 1.23 0.98 0.00 0.00 173.24 176.17 2d9g h GLY 4 N 4.38 0.00 -1.04 7.32 0.00 -2.09 -3.48 103.07 108.16 2d9g h GLY 4 Ca -0.50 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.34 2d9g h GLY 4 CO 0.60 0.00 0.37 -0.56 0.00 0.00 0.00 176.54 176.95 2d9g s SER 5 N -3.96 4.93 0.11 0.19 0.01 -1.26 -5.08 113.70 108.64 2d9g s SER 5 Ca -0.03 1.22 0.09 0.00 1.31 0.00 0.00 55.95 58.55 2d9g s SER 5 Cb 0.00 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 2d9g s SER 5 CO 0.04 -1.68 -0.21 -0.94 0.41 0.00 0.00 173.24 170.86 2d9g s SER 6 N -4.12 3.68 0.71 2.44 1.04 -1.26 -5.14 113.70 111.05 2d9g s SER 6 Ca 0.60 -0.60 -0.05 0.00 0.48 0.00 0.00 55.95 56.37 2d9g s SER 6 Cb -0.13 -0.45 0.08 0.00 0.10 0.00 0.00 66.02 65.63 2d9g s SER 6 CO 0.53 0.19 1.01 -0.83 0.98 0.00 0.00 173.24 175.12 2d9g s GLY 7 N -1.98 1.73 0.05 7.32 0.00 -1.26 -5.02 107.32 108.16 2d9g s GLY 7 Ca 0.16 -1.16 -0.28 0.00 0.00 0.00 0.00 44.72 43.44 2d9g s GLY 7 CO 0.08 -0.71 1.50 -0.55 0.00 0.00 0.00 173.10 173.42 2d9g h ASP 8 N -0.60 -0.47 -2.99 1.64 5.19 -2.07 -3.44 116.42 113.68 2d9g h ASP 8 Ca -0.43 -0.05 -0.12 0.00 -0.62 0.00 0.00 57.03 55.81 2d9g h ASP 8 Cb 1.30 0.12 -0.27 0.00 0.18 0.00 0.00 39.33 40.65 2d9g h ASP 8 CO 0.53 -0.24 -0.35 -0.70 -3.12 0.00 0.00 179.24 175.36 2d9g s GLU 9 N -5.56 0.34 -0.34 3.56 2.12 -1.26 -5.04 118.70 112.52 2d9g s GLU 9 Ca -0.15 0.84 0.14 0.00 0.36 0.00 0.00 54.97 56.16 2d9g s GLU 9 Cb 0.03 0.08 0.42 0.00 0.26 0.00 0.00 34.13 34.92 2d9g s GLU 9 CO 0.60 -0.20 1.48 0.41 -0.54 0.00 0.00 175.26 177.01 2d9g n GLY 10 N 4.69 1.97 3.48 -1.50 0.00 -1.26 -5.13 105.19 107.43 2d9g n GLY 10 Ca -0.18 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 2d9g n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2d9g s TYR 11 N -0.30 -0.59 -0.12 1.61 -0.85 -1.26 -2.72 117.35 113.11 2d9g s TYR 11 Ca 0.12 0.73 0.01 0.00 -0.52 0.00 0.00 57.07 57.42 2d9g s TYR 11 Cb 0.43 0.48 -0.01 0.00 0.38 0.00 0.00 41.96 43.25 2d9g s TYR 11 CO -0.12 -0.71 -0.17 1.67 -1.52 0.00 0.00 175.55 174.70 2d9g s TRP 12 N -2.40 2.72 0.22 -3.49 1.48 -1.18 -4.92 118.94 111.37 2d9g s TRP 12 Ca -0.05 -0.82 -0.30 0.00 -1.06 0.00 0.00 56.10 53.87 2d9g s TRP 12 Cb -0.00 -1.80 -0.09 0.00 -1.16 0.00 0.00 33.47 30.42 2d9g s TRP 12 CO -0.01 -0.31 1.10 0.16 -4.06 0.00 0.00 176.95 173.84 2d9g s ASP 13 N 0.38 7.26 0.60 -2.66 1.47 -1.26 -3.80 116.67 118.66 2d9g s ASP 13 Ca -0.14 2.17 -0.07 0.00 1.18 0.00 0.00 52.55 55.69 2d9g s ASP 13 Cb -0.17 -2.61 -0.00 0.00 -0.34 0.00 0.00 42.92 39.80 2d9g s ASP 13 CO 0.07 -0.19 0.93 0.00 0.68 0.00 0.00 175.17 176.66 2d9g n SER 15 N -2.63 3.34 0.15 0.00 7.64 -1.26 -3.77 113.62 117.10 2d9g n SER 15 Ca 0.04 -0.02 -0.06 0.00 1.01 0.00 0.00 58.87 59.84 2d9g n SER 15 Cb 0.57 0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.97 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 -0.02 0.44 2.07 -1.98 -3.36 116.25 113.40 2d9g h VAL 16 Ca -0.19 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2d9g h VAL 16 Cb 1.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2d9g h VAL 16 CO -0.01 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 177.28 2d9g n THR 18 N 0.25 -0.98 -3.18 0.00 -2.24 -1.25 -4.94 114.28 101.95 2d9g n THR 18 Ca 0.09 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.50 2d9g n THR 18 Cb 0.43 -2.26 -0.06 0.00 -2.10 0.00 0.00 70.33 66.34 2d9g n THR 18 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2d9g s PHE 19 N -2.85 3.69 -0.22 4.78 5.36 -1.26 -4.61 117.98 122.87 2d9g s PHE 19 Ca 0.13 1.31 -0.29 0.00 -0.96 0.00 0.00 56.93 57.12 2d9g s PHE 19 Cb -0.07 -2.55 0.01 0.00 -0.34 0.00 0.00 43.02 40.07 2d9g s PHE 19 CO 0.16 0.42 1.03 0.50 -1.46 0.00 0.00 175.22 175.87 2d9g s ARG 20 N -1.74 4.27 0.15 10.12 3.00 -1.26 -3.22 118.95 130.26 2d9g s ARG 20 Ca 0.39 1.35 0.10 0.00 -1.00 0.00 0.00 55.73 56.56 2d9g s ARG 20 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 34.95 31.10 2d9g s ARG 20 CO 0.21 -0.60 -0.22 -0.80 0.00 0.00 0.00 175.30 173.88 2d9g s ASN 21 N 1.20 2.97 0.65 -2.12 0.01 -1.25 -4.96 114.94 111.44 2d9g s ASN 21 Ca 0.44 -0.79 -0.15 0.00 -0.71 0.00 0.00 52.86 51.64 2d9g s ASN 21 Cb -0.15 -0.19 -0.00 0.00 0.41 0.00 0.00 41.25 41.31 2d9g s ASN 21 CO 0.07 0.07 1.11 -0.55 -1.51 0.00 0.00 177.10 176.29 2d9g s SER 22 N -2.34 5.15 0.09 -1.22 0.15 -1.26 -3.09 113.70 111.17 2d9g s SER 22 Ca 0.14 2.02 -0.23 0.00 0.70 0.00 0.00 55.95 58.58 2d9g s SER 22 Cb -0.08 -2.55 -0.14 0.00 -1.71 0.00 0.00 66.02 61.53 2d9g s SER 22 CO 0.07 -1.60 1.74 0.00 1.20 0.00 0.00 173.24 174.64 2d9g h ALA 23 N 0.11 0.01 -0.86 5.45 0.00 -1.87 -2.74 119.26 119.37 2d9g h ALA 23 Ca -0.47 0.00 0.22 0.00 0.00 0.00 0.00 54.91 54.66 2d9g h ALA 23 Cb 1.25 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 2d9g h ALA 23 CO 0.54 -0.49 0.09 1.49 0.00 0.00 0.00 179.25 180.88 2d9g h GLU 24 N 0.01 0.11 -6.22 0.00 4.81 -1.93 -3.36 114.58 108.00 2d9g h GLU 24 Ca 0.01 -0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 2d9g h GLU 24 Cb 0.01 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2d9g h GLU 24 CO -0.01 0.07 1.30 0.00 -0.73 0.00 0.00 179.01 179.64 2d9g s ALA 25 N -6.02 2.92 0.20 2.92 0.00 -1.04 -4.86 121.76 115.87 2d9g s ALA 25 Ca -0.13 0.44 -0.08 0.00 0.00 0.00 0.00 51.96 52.19 2d9g s ALA 25 Cb 0.25 -4.00 0.12 0.00 0.00 0.00 0.00 23.12 19.49 2d9g s ALA 25 CO 0.77 -2.53 1.68 0.27 0.00 0.00 0.00 175.76 175.94 2d9g h PHE 26 N 12.98 1.15 -2.72 0.00 -0.00 -1.84 -3.44 116.94 123.05 2d9g h PHE 26 Ca -0.36 -0.18 -0.59 0.00 -0.00 0.00 0.00 57.97 56.85 2d9g h PHE 26 Cb 1.18 -0.31 -0.10 0.00 -0.00 0.00 0.00 35.95 36.72 2d9g h PHE 26 CO 0.95 0.99 -0.65 -1.59 -0.00 0.00 0.00 178.31 178.01 2d9g s LYS 27 N -5.10 2.43 1.03 6.09 0.00 -1.26 -4.21 119.74 118.72 2d9g s LYS 27 Ca -0.12 -1.14 -0.13 0.00 0.00 0.00 0.00 55.97 54.58 2d9g s LYS 27 Cb 0.14 -2.35 0.15 0.00 0.00 0.00 0.00 37.83 35.77 2d9g s LYS 27 CO 0.85 0.44 0.72 0.00 0.00 0.00 0.00 175.35 177.36 2d9g n MET 29 N -3.40 1.91 0.05 0.00 0.00 -1.26 -3.61 117.12 110.81 2d9g n MET 29 Ca 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 57.70 57.74 2d9g n MET 29 Cb 0.55 -1.28 -0.01 0.00 0.00 0.00 0.00 33.22 32.47 2d9g n MET 29 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 2d9g h MET 30 N 0.00 -0.17 0.00 0.03 1.85 -1.94 -3.38 114.93 111.32 2d9g h MET 30 Ca -0.30 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 58.78 2d9g h MET 30 Cb 1.65 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 33.72 2d9g h MET 30 CO 0.01 -0.12 -1.06 0.00 -0.40 0.00 0.00 176.91 175.34 2d9g n ASP 32 N -2.70 -3.77 -4.86 0.00 9.92 -1.24 -5.01 116.55 108.89 2d9g n ASP 32 Ca -0.01 -0.50 -0.34 0.00 -0.53 0.00 0.00 54.79 53.41 2d9g n ASP 32 Cb 0.58 -4.43 -0.06 0.00 -0.64 0.00 0.00 41.12 36.57 2d9g n ASP 32 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2d9g s VAL 33 N -3.29 5.21 0.46 2.53 0.11 -1.26 -4.75 120.40 119.41 2d9g s VAL 33 Ca 0.23 -0.20 -0.25 0.00 -2.93 0.00 0.00 61.98 58.84 2d9g s VAL 33 Cb -0.10 -3.40 -0.08 0.00 -1.53 0.00 0.00 36.38 31.27 2d9g s VAL 33 CO 0.63 0.37 1.39 0.00 -3.33 0.00 0.00 175.10 174.16 2d9g s ARG 34 N -1.77 3.63 0.41 1.54 3.03 -1.26 -2.58 118.95 121.95 2d9g s ARG 34 Ca 0.25 2.34 0.07 0.00 2.03 0.00 0.00 55.73 60.42 2d9g s ARG 34 Cb -0.12 -2.59 -0.05 0.00 -1.03 0.00 0.00 34.95 31.16 2d9g s ARG 34 CO 0.16 -0.84 0.21 -1.59 -1.13 0.00 0.00 175.30 172.11 2d9g s LYS 35 N -2.51 2.28 0.41 3.89 -2.85 -1.26 -4.94 119.74 114.76 2d9g s LYS 35 Ca 0.62 -1.79 0.00 0.00 -1.00 0.00 0.00 55.97 53.80 2d9g s LYS 35 Cb -0.42 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 2d9g s LYS 35 CO 0.53 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 176.26 2d9g n GLY 36 N -1.29 -3.47 3.59 0.59 0.00 -1.26 -4.61 105.19 98.75 2d9g n GLY 36 Ca -0.00 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 2d9g n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d9g s THR 37 N -4.55 5.12 -1.35 2.61 -4.23 -1.26 -4.25 115.64 107.73 2d9g s THR 37 Ca 0.00 0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 2d9g s THR 37 Cb 0.00 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 70.06 2d9g s THR 37 CO 0.00 0.03 1.11 -0.24 -0.54 0.00 0.00 174.62 174.98 2d9g n SER 38 N 5.46 -5.20 -0.41 3.99 2.88 -1.26 -4.84 113.62 114.24 2d9g n SER 38 Ca -0.07 -0.60 0.33 0.00 -1.33 0.00 0.00 58.87 57.20 2d9g n SER 38 Cb 0.50 -4.85 0.63 0.00 -0.75 0.00 0.00 64.21 59.74 2d9g n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d9g h THR 39 N -2.45 0.28 -3.43 2.46 1.03 -1.82 -3.39 112.91 105.59 2d9g h THR 39 Ca -0.58 -0.06 -0.54 0.00 -0.01 0.00 0.00 66.41 65.23 2d9g h THR 39 Cb 1.37 0.10 -0.03 0.00 -1.07 0.00 0.00 68.15 68.51 2d9g h THR 39 CO 0.57 0.03 -0.02 -0.13 -0.01 0.00 0.00 175.52 175.96 2d9g s ARG 40 N -5.28 4.04 -0.31 0.00 0.52 -1.26 -5.06 118.95 111.59 2d9g s ARG 40 Ca -0.07 0.59 -0.08 0.00 -0.52 0.00 0.00 55.73 55.64 2d9g s ARG 40 Cb 0.27 -2.86 0.01 0.00 0.52 0.00 0.00 34.95 32.89 2d9g s ARG 40 CO 0.82 0.42 0.13 0.15 0.02 0.00 0.00 175.30 176.83 2d9g s LYS 41 N -2.11 3.14 1.05 3.54 1.02 -1.26 -5.10 119.74 120.02 2d9g s LYS 41 Ca 0.41 -0.84 -0.14 0.00 0.02 0.00 0.00 55.97 55.42 2d9g s LYS 41 Cb -0.15 -3.50 0.21 0.00 -0.52 0.00 0.00 37.83 33.87 2d9g s LYS 41 CO 0.20 -0.47 1.10 -1.25 -0.92 0.00 0.00 175.35 174.00 2d9g s PRO 42 N 1.55 0.02 -0.11 -1.68 0.04 -1.26 -5.09 135.00 128.47 2d9g s PRO 42 Ca 0.03 0.38 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 2d9g s PRO 42 Cb -0.17 -1.70 0.11 0.00 0.04 0.00 0.00 34.50 32.78 2d9g s PRO 42 CO 0.05 -2.97 0.93 -0.98 0.04 0.00 0.00 177.00 174.06 2d9g s ARG 43 N -5.05 0.71 0.00 4.56 3.03 -1.26 -5.01 118.95 115.93 2d9g s ARG 43 Ca 0.67 0.07 0.06 0.00 2.03 0.00 0.00 55.73 58.55 2d9g s ARG 43 Cb -0.17 0.33 0.33 0.00 -1.03 0.00 0.00 34.95 34.42 2d9g s ARG 43 CO 0.57 -0.24 0.79 -0.35 -1.13 0.00 0.00 175.30 174.94 2d9g n PRO 44 N 0.55 0.49 -3.89 3.89 -0.04 -1.26 -4.46 135.00 130.27 2d9g n PRO 44 Ca -0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.00 2d9g n PRO 44 Cb 0.59 -1.18 -0.13 0.00 -0.04 0.00 0.00 33.50 32.73 2d9g n PRO 44 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2d9g s VAL 45 N -2.00 2.91 0.46 0.52 1.01 -1.26 -5.10 120.40 116.94 2d9g s VAL 45 Ca 0.08 -1.79 -0.15 0.00 0.00 0.00 0.00 61.98 60.12 2d9g s VAL 45 Cb 0.04 -2.86 -0.08 0.00 0.00 0.00 0.00 36.38 33.48 2d9g s VAL 45 CO 0.06 -0.38 0.90 -0.44 0.00 0.00 0.00 175.10 175.25 2d9g s SER 46 N 1.37 6.63 -0.19 3.32 0.01 -1.26 -5.07 113.70 118.51 2d9g s SER 46 Ca 0.02 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.71 2d9g s SER 46 Cb -0.21 -2.45 0.04 0.00 0.21 0.00 0.00 66.02 63.62 2d9g s SER 46 CO -0.04 -0.49 -0.08 -1.10 0.41 0.00 0.00 173.24 171.94 2d9g s GLN 47 N -3.87 1.81 -0.16 12.44 -0.21 -1.26 -5.09 119.66 123.33 2d9g s GLN 47 Ca 0.57 -0.77 -0.29 0.00 0.02 0.00 0.00 55.36 54.89 2d9g s GLN 47 Cb -0.10 -2.32 -0.06 0.00 1.00 0.00 0.00 33.01 31.53 2d9g s GLN 47 CO 0.29 -0.45 2.07 -1.12 -2.12 0.00 0.00 175.29 173.96 2d9g s SER 48 N 1.47 5.84 0.05 5.90 0.01 -1.26 -4.57 113.70 121.14 2d9g s SER 48 Ca -0.01 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.29 2d9g s SER 48 Cb -0.16 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2d9g s SER 48 CO -0.08 -1.63 0.00 0.61 0.41 0.00 0.00 173.24 172.55 2d9g n GLY 49 N 5.31 -3.27 0.20 3.44 0.00 -1.26 -4.83 105.19 104.78 2d9g n GLY 49 Ca 0.26 -1.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 2d9g n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9g h PRO 50 N 0.23 0.37 -6.21 1.61 0.13 -2.06 -3.43 132.00 122.63 2d9g h PRO 50 Ca 0.00 -0.19 -0.67 0.00 -0.87 0.00 0.00 66.00 64.26 2d9g h PRO 50 Cb 0.00 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 30.83 2d9g h PRO 50 CO 0.00 0.74 -0.88 -1.12 -0.23 0.00 0.00 178.00 176.51 2d9g s SER 51 N -6.87 2.91 0.15 1.44 0.01 -1.26 -5.14 113.70 104.94 2d9g s SER 51 Ca -0.06 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.73 2d9g s SER 51 Cb 0.13 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 2d9g s SER 51 CO 0.80 0.27 0.05 -0.55 0.41 0.00 0.00 173.24 174.22 2d9g s SER 52 N -0.38 0.48 0.00 2.44 0.15 -1.26 -5.13 113.70 109.99 2d9g s SER 52 Ca 0.04 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.46 2d9g s SER 52 Cb -0.11 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2d9g s SER 52 CO 0.01 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.35