#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 2.86 -0.16 1.61 0.01 -1.26 -5.13 113.70 111.64 2d9g s SER 2 Ca 0.00 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 56.54 2d9g s SER 2 Cb 0.00 -0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.10 2d9g s SER 2 CO 0.00 0.11 -0.00 -0.55 0.41 0.00 0.00 173.24 173.21 2d9g s SER 3 N -1.95 2.58 0.00 2.44 0.15 -1.26 -5.01 113.70 110.65 2d9g s SER 3 Ca 0.10 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2d9g s SER 3 Cb -0.10 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 2d9g s SER 3 CO 0.05 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2d9g n GLY 4 N 5.01 -0.44 3.60 9.45 0.00 -1.26 -5.10 105.19 116.45 2d9g n GLY 4 Ca -0.10 0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 2d9g n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9g s SER 5 N 0.00 5.83 -0.06 1.61 0.01 -1.26 -4.87 113.70 114.95 2d9g s SER 5 Ca 0.00 1.53 -0.27 0.00 1.31 0.00 0.00 55.95 58.52 2d9g s SER 5 Cb 0.00 -2.52 -0.22 0.00 0.21 0.00 0.00 66.02 63.49 2d9g s SER 5 CO 0.00 -1.72 1.07 -1.28 0.41 0.00 0.00 173.24 171.72 2d9g h SER 6 N 13.22 -0.01 0.00 2.44 0.87 -2.04 -3.47 113.55 124.56 2d9g h SER 6 Ca -0.36 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.54 2d9g h SER 6 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2d9g h SER 6 CO 1.01 0.66 0.00 0.61 -0.53 0.00 0.00 176.83 178.58 2d9g n GLY 7 N 0.73 1.02 2.90 5.77 0.00 -1.26 -5.12 105.19 109.22 2d9g n GLY 7 Ca -0.09 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 2d9g n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d9g s ASP 8 N 1.00 1.48 0.66 1.61 1.11 -1.26 -5.14 116.67 116.12 2d9g s ASP 8 Ca 0.00 -0.19 -0.11 0.00 0.18 0.00 0.00 52.55 52.43 2d9g s ASP 8 Cb 0.00 -0.60 -0.02 0.00 1.07 0.00 0.00 42.92 43.37 2d9g s ASP 8 CO 0.00 -0.08 1.06 -1.83 1.18 0.00 0.00 175.17 175.50 2d9g s GLU 9 N 1.23 3.30 0.00 8.23 -1.05 -1.26 -4.78 118.70 124.37 2d9g s GLU 9 Ca -0.05 0.63 0.00 0.00 -0.15 0.00 0.00 54.97 55.40 2d9g s GLU 9 Cb -0.14 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.50 2d9g s GLU 9 CO -0.02 -0.76 0.00 0.41 0.95 0.00 0.00 175.26 175.84 2d9g n GLY 10 N -2.85 0.00 3.76 -3.83 0.00 -1.26 -4.97 105.19 96.04 2d9g n GLY 10 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 2.91 -0.15 1.61 1.13 -1.26 -3.65 117.35 117.94 2d9g s TYR 11 Ca 0.00 1.19 -0.03 0.00 -1.41 0.00 0.00 57.07 56.82 2d9g s TYR 11 Cb 0.00 -3.83 -0.02 0.00 -1.10 0.00 0.00 41.96 37.01 2d9g s TYR 11 CO 0.00 -2.50 -0.07 1.67 -2.51 0.00 0.00 175.55 172.14 2d9g s TRP 12 N -0.69 2.96 -0.37 -3.49 1.48 0.01 -4.90 118.94 113.95 2d9g s TRP 12 Ca 0.54 -0.41 -0.28 0.00 -1.06 0.00 0.00 56.10 54.89 2d9g s TRP 12 Cb -0.43 -1.93 0.02 0.00 -1.16 0.00 0.00 33.47 29.98 2d9g s TRP 12 CO 0.52 -0.10 1.05 -0.51 -4.06 0.00 0.00 176.95 173.85 2d9g s ASP 13 N 0.38 6.79 1.04 -2.66 1.01 -1.26 -2.44 116.67 119.53 2d9g s ASP 13 Ca -0.06 0.79 -0.13 0.00 0.71 0.00 0.00 52.55 53.86 2d9g s ASP 13 Cb -0.15 -2.52 0.16 0.00 1.01 0.00 0.00 42.92 41.42 2d9g s ASP 13 CO 0.04 -0.96 0.75 0.00 0.21 0.00 0.00 175.17 175.21 2d9g n SER 15 N -3.39 3.65 0.25 0.00 3.41 -1.26 -3.60 113.62 112.68 2d9g n SER 15 Ca 0.06 -0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 2d9g n SER 15 Cb 0.55 0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 64.81 2d9g n SER 15 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2d9g h VAL 16 N 0.00 0.45 -0.02 -3.33 2.07 -1.98 -3.32 116.25 110.13 2d9g h VAL 16 Ca -0.14 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2d9g h VAL 16 Cb 1.29 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2d9g h VAL 16 CO -0.00 0.06 -0.09 0.00 0.02 0.00 0.00 177.57 177.56 2d9g n THR 18 N 0.60 -1.10 -2.95 0.00 -2.24 -1.24 -4.96 114.28 102.40 2d9g n THR 18 Ca 0.08 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.61 2d9g n THR 18 Cb 0.37 -2.46 -0.00 0.00 -2.10 0.00 0.00 70.33 66.14 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 -2.91 3.51 -0.24 4.78 5.36 -1.26 -4.72 117.98 122.49 2d9g s PHE 19 Ca 0.15 0.58 -0.20 0.00 -0.96 0.00 0.00 56.93 56.50 2d9g s PHE 19 Cb -0.07 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.44 2d9g s PHE 19 CO 0.18 -0.14 0.62 0.50 -1.46 0.00 0.00 175.22 174.92 2d9g s ARG 20 N -4.57 4.13 0.10 10.12 3.52 -1.26 -0.86 118.95 130.14 2d9g s ARG 20 Ca 0.45 0.54 0.10 0.00 -0.13 0.00 0.00 55.73 56.69 2d9g s ARG 20 Cb -0.10 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 2d9g s ARG 20 CO 0.41 -0.36 -0.26 -0.80 -0.81 0.00 0.00 175.30 173.48 2d9g s ASN 21 N 1.41 3.13 0.38 -2.12 0.01 -1.02 -4.93 114.94 111.80 2d9g s ASN 21 Ca 0.26 -0.70 -0.09 0.00 -0.71 0.00 0.00 52.86 51.63 2d9g s ASN 21 Cb -0.16 -0.22 -0.06 0.00 0.41 0.00 0.00 41.25 41.22 2d9g s ASN 21 CO 0.09 0.18 0.72 -0.55 -1.51 0.00 0.00 177.10 176.03 2d9g s SER 22 N -1.82 6.50 0.11 -1.22 0.15 -1.26 -0.81 113.70 115.36 2d9g s SER 22 Ca 0.12 1.04 -0.21 0.00 0.70 0.00 0.00 55.95 57.60 2d9g s SER 22 Cb -0.10 -2.28 -0.08 0.00 -1.71 0.00 0.00 66.02 61.85 2d9g s SER 22 CO 0.05 -0.36 1.73 0.00 1.20 0.00 0.00 173.24 175.86 2d9g h ALA 23 N 1.34 0.11 -1.03 5.45 0.00 -1.88 -2.17 119.26 121.09 2d9g h ALA 23 Ca -0.47 0.03 0.27 0.00 0.00 0.00 0.00 54.91 54.74 2d9g h ALA 23 Cb 1.19 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 2d9g h ALA 23 CO 0.64 -0.45 0.63 0.93 0.00 0.00 0.00 179.25 181.01 2d9g h GLU 24 N 0.05 0.46 -6.25 0.00 4.39 -1.90 -3.39 114.58 107.94 2d9g h GLU 24 Ca 0.06 -0.03 -0.55 0.00 0.34 0.00 0.00 59.36 59.18 2d9g h GLU 24 Cb 0.07 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2d9g h GLU 24 CO -0.10 0.30 1.20 0.00 -1.16 0.00 0.00 179.01 179.25 2d9g s ALA 25 N -5.64 3.37 0.17 3.43 0.00 -0.82 -4.89 121.76 117.40 2d9g s ALA 25 Ca -0.10 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 2d9g s ALA 25 Cb 0.27 -3.85 0.11 0.00 0.00 0.00 0.00 23.12 19.65 2d9g s ALA 25 CO 0.80 -1.81 1.79 0.27 0.00 0.00 0.00 175.76 176.80 2d9g h PHE 26 N 10.98 0.47 -2.75 0.00 -0.00 -1.85 -3.45 116.94 120.34 2d9g h PHE 26 Ca -0.40 0.02 -0.53 0.00 -0.00 0.00 0.00 57.97 57.06 2d9g h PHE 26 Cb 1.19 -0.14 -0.13 0.00 -0.00 0.00 0.00 35.95 36.87 2d9g h PHE 26 CO 0.92 0.24 -0.54 0.15 -0.00 0.00 0.00 178.31 179.08 2d9g s LYS 27 N -6.14 1.84 0.96 6.09 1.02 -1.26 -4.60 119.74 117.66 2d9g s LYS 27 Ca -0.13 -2.10 -0.11 0.00 0.02 0.00 0.00 55.97 53.66 2d9g s LYS 27 Cb 0.13 -0.64 0.16 0.00 -0.52 0.00 0.00 37.83 36.96 2d9g s LYS 27 CO 0.73 -0.41 1.06 0.00 -0.92 0.00 0.00 175.35 175.82 2d9g n MET 29 N -4.15 2.23 0.10 0.00 1.56 -1.26 -3.79 117.12 111.82 2d9g n MET 29 Ca 0.10 0.01 -0.05 0.00 -0.27 0.00 0.00 57.70 57.49 2d9g n MET 29 Cb 0.53 -1.19 -0.02 0.00 2.15 0.00 0.00 33.22 34.69 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 -0.29 0.00 2.12 1.85 -1.93 -3.37 114.93 113.31 2d9g h MET 30 Ca -0.20 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 2d9g h MET 30 Cb 1.42 0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.52 2d9g h MET 30 CO 0.00 -0.19 -1.19 0.00 -0.40 0.00 0.00 176.91 175.13 2d9g n ASP 32 N -2.60 -4.23 -4.71 0.00 8.00 -1.25 -4.99 116.55 106.77 2d9g n ASP 32 Ca -0.01 -0.13 -0.39 0.00 0.71 0.00 0.00 54.79 54.98 2d9g n ASP 32 Cb 0.55 -3.20 -0.05 0.00 -0.02 0.00 0.00 41.12 38.40 2d9g n ASP 32 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2d9g s VAL 33 N -2.84 5.12 0.36 2.53 0.11 -1.26 -4.74 120.40 119.68 2d9g s VAL 33 Ca 0.13 1.16 -0.27 0.00 -2.93 0.00 0.00 61.98 60.07 2d9g s VAL 33 Cb -0.06 -3.91 -0.12 0.00 -1.53 0.00 0.00 36.38 30.76 2d9g s VAL 33 CO 0.16 0.27 1.28 -1.14 -3.33 0.00 0.00 175.10 172.34 2d9g n ARG 34 N 3.89 2.07 -0.05 1.54 0.00 -1.26 -3.15 116.66 119.70 2d9g n ARG 34 Ca -0.04 0.73 -0.07 0.00 -0.00 0.00 0.00 57.85 58.47 2d9g n ARG 34 Cb 0.51 -2.34 -0.05 0.00 0.00 0.00 0.00 32.46 30.58 2d9g n ARG 34 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2d9g n LYS 35 N 0.43 0.74 -1.54 -0.14 2.85 -1.26 -4.93 118.16 114.31 2d9g n LYS 35 Ca 0.05 0.05 -0.27 0.00 -1.05 0.00 0.00 58.31 57.09 2d9g n LYS 35 Cb 0.37 -1.22 -0.10 0.00 -0.65 0.00 0.00 35.03 33.44 2d9g n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2d9g n GLY 36 N 2.88 -0.16 0.38 2.58 0.00 -1.26 -4.79 105.19 104.82 2d9g n GLY 36 Ca -0.18 0.52 -0.06 0.00 0.00 0.00 0.00 46.02 46.29 2d9g n GLY 36 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2d9g h THR 37 N 7.64 0.10 -6.04 2.61 1.35 -2.01 -3.45 112.91 113.10 2d9g h THR 37 Ca -0.08 0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.35 2d9g h THR 37 Cb 1.16 0.10 0.06 0.00 -1.73 0.00 0.00 68.15 67.74 2d9g h THR 37 CO 1.23 0.00 -0.75 -1.20 -0.25 0.00 0.00 175.52 174.55 2d9g n SER 38 N -5.42 -4.37 -4.81 5.36 7.64 -1.26 -4.96 113.62 105.80 2d9g n SER 38 Ca 0.04 -0.69 -0.36 0.00 1.01 0.00 0.00 58.87 58.87 2d9g n SER 38 Cb 0.36 -4.44 -0.06 0.00 -1.01 0.00 0.00 64.21 59.05 2d9g n SER 38 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2d9g s THR 39 N -3.38 4.51 -0.25 0.44 2.01 -1.26 -5.05 115.64 112.67 2d9g s THR 39 Ca 0.45 1.36 -0.11 0.00 0.31 0.00 0.00 61.69 63.70 2d9g s THR 39 Cb -0.21 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2d9g s THR 39 CO 0.78 0.20 0.19 -0.13 -0.69 0.00 0.00 174.62 174.97 2d9g s ARG 40 N -1.99 4.05 0.61 4.92 1.81 -1.26 -5.07 118.95 122.03 2d9g s ARG 40 Ca 0.44 -0.23 -0.19 0.00 -1.72 0.00 0.00 55.73 54.03 2d9g s ARG 40 Cb -0.17 -3.57 -0.02 0.00 -0.45 0.00 0.00 34.95 30.74 2d9g s ARG 40 CO 0.21 -0.01 1.29 0.15 -0.68 0.00 0.00 175.30 176.27 2d9g s LYS 41 N 1.25 2.76 0.00 3.54 -0.14 -1.26 -4.86 119.74 121.04 2d9g s LYS 41 Ca 0.09 2.05 0.07 0.00 -1.36 0.00 0.00 55.97 56.82 2d9g s LYS 41 Cb -0.14 -1.95 0.40 0.00 -1.68 0.00 0.00 37.83 34.46 2d9g s LYS 41 CO 0.06 -1.43 0.86 -0.35 -0.76 0.00 0.00 175.35 173.73 2d9g n PRO 42 N -1.65 0.49 -1.38 -1.68 -0.04 -1.26 -4.85 135.00 124.63 2d9g n PRO 42 Ca 0.14 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.24 2d9g n PRO 42 Cb 0.48 -1.22 0.06 0.00 -0.04 0.00 0.00 33.50 32.78 2d9g n PRO 42 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2d9g n ARG 43 N -0.72 0.46 -1.41 0.54 1.85 -1.26 -4.95 116.66 111.18 2d9g n ARG 43 Ca 0.05 0.20 -0.32 0.00 -1.00 0.00 0.00 57.85 56.78 2d9g n ARG 43 Cb 0.02 -1.92 0.08 0.00 -1.05 0.00 0.00 32.46 29.60 2d9g n ARG 43 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2d9g s PRO 44 N -2.71 2.42 -0.10 2.89 0.04 -1.26 -5.07 135.00 131.21 2d9g s PRO 44 Ca 0.69 1.24 -0.08 0.00 0.04 0.00 0.00 61.00 62.89 2d9g s PRO 44 Cb -0.38 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.28 2d9g s PRO 44 CO 0.54 -1.53 0.25 0.54 0.04 0.00 0.00 177.00 176.84 2d9g s VAL 45 N -2.72 -0.01 0.18 -0.36 0.11 -1.26 -5.17 120.40 111.17 2d9g s VAL 45 Ca 0.63 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.73 2d9g s VAL 45 Cb -0.18 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 2d9g s VAL 45 CO 0.51 0.02 0.04 -0.94 -3.33 0.00 0.00 175.10 171.40 2d9g s SER 46 N 0.44 0.91 0.14 3.54 1.04 -1.26 -5.12 113.70 113.40 2d9g s SER 46 Ca -0.03 -1.24 -0.31 0.00 0.48 0.00 0.00 55.95 54.86 2d9g s SER 46 Cb -0.04 0.19 -0.10 0.00 0.10 0.00 0.00 66.02 66.16 2d9g s SER 46 CO -0.02 -0.66 1.75 -1.58 0.98 0.00 0.00 173.24 173.71 2d9g s GLN 47 N -3.99 4.15 -0.40 4.02 -0.44 -1.26 -4.90 119.66 116.84 2d9g s GLN 47 Ca 0.28 2.54 -0.28 0.00 -2.50 0.00 0.00 55.36 55.39 2d9g s GLN 47 Cb 0.07 -3.40 -0.00 0.00 -1.64 0.00 0.00 33.01 28.03 2d9g s GLN 47 CO 0.06 -0.78 1.60 -1.54 0.50 0.00 0.00 175.29 175.13 2d9g s SER 48 N 2.08 6.08 0.00 6.67 1.04 -1.26 -4.96 113.70 123.35 2d9g s SER 48 Ca 0.77 0.97 0.00 0.00 0.48 0.00 0.00 55.95 58.17 2d9g s SER 48 Cb -0.46 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.13 2d9g s SER 48 CO 0.34 -1.62 0.00 0.61 0.98 0.00 0.00 173.24 173.55 2d9g n GLY 49 N 5.27 5.92 3.63 7.32 0.00 -1.26 -5.07 105.19 121.00 2d9g n GLY 49 Ca 0.19 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 1.72 3.83 0.20 1.61 0.04 -1.26 -4.90 135.00 136.24 2d9g s PRO 50 Ca 0.00 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 2d9g s PRO 50 Cb 0.00 -4.02 0.20 0.00 0.04 0.00 0.00 34.50 30.72 2d9g s PRO 50 CO 0.00 -1.25 1.80 1.03 0.04 0.00 0.00 177.00 178.61 2d9g h SER 51 N 10.58 0.47 -3.24 6.66 0.87 -2.02 -3.40 113.55 123.48 2d9g h SER 51 Ca -0.34 0.03 -0.58 0.00 -1.23 0.00 0.00 61.79 59.67 2d9g h SER 51 Cb 1.15 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.98 2d9g h SER 51 CO 1.00 0.31 -0.15 -0.94 -0.53 0.00 0.00 176.83 176.52 2d9g s SER 52 N -5.55 6.74 0.00 6.23 1.04 -1.26 -5.32 113.70 115.58 2d9g s SER 52 Ca -0.13 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2d9g s SER 52 Cb 0.15 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2d9g s SER 52 CO 0.75 0.11 0.24 0.61 0.98 0.00 0.00 173.24 175.94