#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 5.98 -0.10 1.61 1.04 -1.26 -5.05 113.70 115.92 2d9g s SER 2 Ca 0.00 0.10 -0.18 0.00 0.48 0.00 0.00 55.95 56.35 2d9g s SER 2 Cb 0.00 -1.73 -0.15 0.00 0.10 0.00 0.00 66.02 64.24 2d9g s SER 2 CO 0.00 0.12 0.56 -1.28 0.98 0.00 0.00 173.24 173.62 2d9g h SER 3 N 2.78 -0.05 -0.54 7.02 0.87 -2.10 -3.50 113.55 118.03 2d9g h SER 3 Ca -0.47 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 2d9g h SER 3 Cb 1.18 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2d9g h SER 3 CO 0.69 0.68 0.00 0.61 -0.53 0.00 0.00 176.83 178.29 2d9g n GLY 4 N 1.40 1.75 3.57 5.77 0.00 -1.26 -5.10 105.19 111.32 2d9g n GLY 4 Ca -0.06 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.26 6.00 0.03 1.61 0.01 -1.26 -4.88 113.70 114.96 2d9g s SER 5 Ca 0.00 0.29 -0.23 0.00 1.31 0.00 0.00 55.95 57.32 2d9g s SER 5 Cb 0.00 -2.54 -0.16 0.00 0.21 0.00 0.00 66.02 63.53 2d9g s SER 5 CO 0.00 -1.81 1.41 -1.28 0.41 0.00 0.00 173.24 171.97 2d9g h SER 6 N 11.61 0.15 0.00 2.44 0.87 -2.03 -3.50 113.55 123.08 2d9g h SER 6 Ca -0.27 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 2d9g h SER 6 Cb 1.10 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2d9g h SER 6 CO 1.18 0.48 0.00 0.61 -0.53 0.00 0.00 176.83 178.58 2d9g n GLY 7 N -0.11 0.69 3.90 5.77 0.00 -1.26 -5.10 105.19 109.08 2d9g n GLY 7 Ca -0.07 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.94 2d9g n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2d9g s ASP 8 N -4.00 5.30 -0.12 1.61 -4.77 -1.26 -5.07 116.67 108.35 2d9g s ASP 8 Ca 0.00 0.89 -0.05 0.00 -3.30 0.00 0.00 52.55 50.09 2d9g s ASP 8 Cb 0.00 -1.69 -0.04 0.00 -1.09 0.00 0.00 42.92 40.11 2d9g s ASP 8 CO 0.00 -1.36 0.05 -1.61 0.70 0.00 0.00 175.17 172.96 2d9g s GLU 9 N -5.26 3.39 -0.68 2.11 0.41 -1.26 -5.03 118.70 112.38 2d9g s GLU 9 Ca 0.58 -0.32 0.02 0.00 -0.41 0.00 0.00 54.97 54.84 2d9g s GLU 9 Cb -0.11 -3.02 0.37 0.00 -1.78 0.00 0.00 34.13 29.60 2d9g s GLU 9 CO 0.49 0.60 1.51 0.41 -0.49 0.00 0.00 175.26 177.77 2d9g n GLY 10 N 2.50 5.80 3.19 -1.39 0.00 -1.26 -4.99 105.19 109.04 2d9g n GLY 10 Ca -0.18 -2.64 -0.12 0.00 0.00 0.00 0.00 46.02 43.07 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 -3.83 -0.06 -0.10 1.61 -0.85 -1.26 -2.69 117.35 110.17 2d9g s TYR 11 Ca 0.48 0.01 -0.01 0.00 -0.52 0.00 0.00 57.07 57.04 2d9g s TYR 11 Cb 0.37 0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 2d9g s TYR 11 CO -0.26 -0.38 -0.04 1.67 -1.52 0.00 0.00 175.55 175.02 2d9g s TRP 12 N -1.70 3.01 0.19 -3.49 1.48 -1.18 -4.93 118.94 112.32 2d9g s TRP 12 Ca -0.12 -0.05 -0.27 0.00 -1.06 0.00 0.00 56.10 54.60 2d9g s TRP 12 Cb -0.05 -1.81 -0.08 0.00 -1.16 0.00 0.00 33.47 30.37 2d9g s TRP 12 CO 0.01 0.24 0.84 0.16 -4.06 0.00 0.00 176.95 174.14 2d9g s ASP 13 N -0.44 7.49 0.50 -2.66 1.47 -1.26 -3.44 116.67 118.33 2d9g s ASP 13 Ca 0.07 1.76 -0.04 0.00 1.18 0.00 0.00 52.55 55.52 2d9g s ASP 13 Cb -0.12 -2.54 -0.01 0.00 -0.34 0.00 0.00 42.92 39.90 2d9g s ASP 13 CO 0.02 0.19 0.78 0.00 0.68 0.00 0.00 175.17 176.84 2d9g n SER 15 N -2.29 3.82 0.35 0.00 2.88 -1.26 -3.77 113.62 113.36 2d9g n SER 15 Ca 0.02 -0.01 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2d9g n SER 15 Cb 0.57 0.34 -0.07 0.00 -0.75 0.00 0.00 64.21 64.30 2d9g n SER 15 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2d9g h VAL 16 N 0.00 0.00 -0.20 2.46 2.07 -1.98 -3.33 116.25 115.27 2d9g h VAL 16 Ca -0.12 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2d9g h VAL 16 Cb 1.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2d9g h VAL 16 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2d9g n THR 18 N 0.85 -0.86 -2.77 0.00 -2.24 -1.25 -4.94 114.28 103.07 2d9g n THR 18 Ca 0.12 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.64 2d9g n THR 18 Cb 0.42 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.66 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 -2.77 3.45 -0.26 4.78 5.36 -1.26 -4.70 117.98 122.58 2d9g s PHE 19 Ca 0.14 0.62 -0.10 0.00 -0.96 0.00 0.00 56.93 56.63 2d9g s PHE 19 Cb -0.07 -2.31 -0.04 0.00 -0.34 0.00 0.00 43.02 40.26 2d9g s PHE 19 CO 0.17 -0.31 0.14 0.50 -1.46 0.00 0.00 175.22 174.26 2d9g s ARG 20 N -4.69 3.90 0.24 10.12 3.52 -1.26 -1.85 118.95 128.92 2d9g s ARG 20 Ca 0.47 -0.35 0.11 0.00 -0.13 0.00 0.00 55.73 55.83 2d9g s ARG 20 Cb -0.10 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.73 2d9g s ARG 20 CO 0.42 -0.10 -0.19 -0.80 -0.81 0.00 0.00 175.30 173.82 2d9g s ASN 21 N 1.49 3.64 0.18 -2.12 0.01 -1.22 -4.94 114.94 111.98 2d9g s ASN 21 Ca 0.07 -0.90 -0.24 0.00 -0.71 0.00 0.00 52.86 51.07 2d9g s ASN 21 Cb -0.15 -0.35 -0.08 0.00 0.41 0.00 0.00 41.25 41.08 2d9g s ASN 21 CO 0.07 0.07 0.76 -0.44 -1.51 0.00 0.00 177.10 176.06 2d9g s SER 22 N -3.14 7.29 0.27 -1.22 0.01 -1.26 -3.13 113.70 112.52 2d9g s SER 22 Ca 0.26 1.59 -0.05 0.00 1.31 0.00 0.00 55.95 59.06 2d9g s SER 22 Cb -0.07 -2.48 0.53 0.00 0.21 0.00 0.00 66.02 64.22 2d9g s SER 22 CO 0.13 0.16 1.60 0.00 0.41 0.00 0.00 173.24 175.54 2d9g h ALA 23 N 4.06 0.87 -0.93 1.44 0.00 -1.87 -0.23 119.26 122.60 2d9g h ALA 23 Ca -0.47 0.29 0.13 0.00 0.00 0.00 0.00 54.91 54.86 2d9g h ALA 23 Cb 1.20 0.52 -0.14 0.00 0.00 0.00 0.00 17.79 19.37 2d9g h ALA 23 CO 0.66 -0.46 -0.43 1.49 0.00 0.00 0.00 179.25 180.50 2d9g h GLU 24 N 0.06 -0.03 -6.53 0.00 4.57 -1.93 -3.38 114.58 107.33 2d9g h GLU 24 Ca 0.48 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 58.13 2d9g h GLU 24 Cb 0.87 0.01 0.03 0.00 -0.16 0.00 0.00 28.75 29.50 2d9g h GLU 24 CO -0.80 -0.02 0.93 0.00 -1.18 0.00 0.00 179.01 177.94 2d9g s ALA 25 N -5.85 3.73 0.17 2.92 0.00 -0.10 -4.90 121.76 117.73 2d9g s ALA 25 Ca -0.13 1.29 0.06 0.00 0.00 0.00 0.00 51.96 53.18 2d9g s ALA 25 Cb 0.17 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2d9g s ALA 25 CO 0.69 -0.93 1.38 0.27 0.00 0.00 0.00 175.76 177.17 2d9g h PHE 26 N 7.51 0.08 -2.22 0.00 -0.00 -1.84 -3.45 116.94 117.02 2d9g h PHE 26 Ca -0.43 -0.05 -0.60 0.00 -0.00 0.00 0.00 57.97 56.90 2d9g h PHE 26 Cb 1.20 -0.01 -0.14 0.00 -0.00 0.00 0.00 35.95 37.01 2d9g h PHE 26 CO 0.71 0.91 -0.74 -1.59 -0.00 0.00 0.00 178.31 177.59 2d9g s LYS 27 N -3.04 1.68 1.04 6.09 0.00 -1.26 -3.76 119.74 120.48 2d9g s LYS 27 Ca -0.01 -1.79 -0.12 0.00 0.00 0.00 0.00 55.97 54.05 2d9g s LYS 27 Cb 0.11 -1.70 0.17 0.00 0.00 0.00 0.00 37.83 36.41 2d9g s LYS 27 CO 0.81 0.28 0.85 0.00 0.00 0.00 0.00 175.35 177.29 2d9g n MET 29 N -3.84 1.57 0.01 0.00 1.56 -1.26 -3.63 117.12 111.52 2d9g n MET 29 Ca 0.07 0.02 -0.01 0.00 -0.27 0.00 0.00 57.70 57.50 2d9g n MET 29 Cb 0.54 -1.33 -0.01 0.00 2.15 0.00 0.00 33.22 34.58 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 -0.07 0.00 2.12 1.85 -1.94 -3.39 114.93 113.50 2d9g h MET 30 Ca -0.35 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.66 2d9g h MET 30 Cb 1.74 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.78 2d9g h MET 30 CO 0.00 -0.05 -1.01 0.00 -0.40 0.00 0.00 176.91 175.45 2d9g n ASP 32 N -2.86 -2.60 -4.90 0.00 2.03 -1.24 -5.00 116.55 101.98 2d9g n ASP 32 Ca -0.03 -0.39 -0.30 0.00 0.52 0.00 0.00 54.79 54.59 2d9g n ASP 32 Cb 0.68 -3.52 -0.04 0.00 -0.72 0.00 0.00 41.12 37.53 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 -3.23 5.05 0.44 5.18 0.11 -1.26 -4.69 120.40 121.99 2d9g s VAL 33 Ca 0.08 0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 58.98 2d9g s VAL 33 Cb -0.03 -3.69 -0.08 0.00 -1.53 0.00 0.00 36.38 31.05 2d9g s VAL 33 CO 0.48 -0.19 1.26 0.00 -3.33 0.00 0.00 175.10 173.32 2d9g s ARG 34 N -3.20 3.80 -0.15 1.54 3.03 -1.26 -2.00 118.95 120.71 2d9g s ARG 34 Ca 0.44 2.03 0.03 0.00 2.03 0.00 0.00 55.73 60.26 2d9g s ARG 34 Cb -0.11 -2.58 -0.12 0.00 -1.03 0.00 0.00 34.95 31.11 2d9g s ARG 34 CO 0.27 -0.59 -0.10 0.36 -1.13 0.00 0.00 175.30 174.11 2d9g n LYS 35 N -0.20 0.74 0.00 3.89 2.85 -1.25 -4.91 118.16 119.28 2d9g n LYS 35 Ca 0.06 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 2d9g n LYS 35 Cb 0.45 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 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 2.62 0.87 3.09 2.58 0.00 -1.26 -5.08 105.19 108.01 2d9g n GLY 36 Ca -0.27 -2.21 -0.13 0.00 0.00 0.00 0.00 46.02 43.41 2d9g n GLY 36 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2d9g s THR 37 N -1.14 -0.01 0.07 2.61 -1.32 -1.26 -5.06 115.64 109.52 2d9g s THR 37 Ca 0.00 0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.23 2d9g s THR 37 Cb 0.00 -0.34 -0.09 0.00 -1.51 0.00 0.00 72.50 70.56 2d9g s THR 37 CO 0.00 0.02 1.82 -0.44 -2.21 0.00 0.00 174.62 173.81 2d9g s SER 38 N 0.52 6.49 -0.16 8.08 0.01 -1.26 -4.89 113.70 122.50 2d9g s SER 38 Ca -0.03 2.63 -0.04 0.00 1.31 0.00 0.00 55.95 59.81 2d9g s SER 38 Cb -0.05 -2.55 -0.24 0.00 0.21 0.00 0.00 66.02 63.40 2d9g s SER 38 CO -0.03 -0.99 0.21 1.07 0.41 0.00 0.00 173.24 173.91 2d9g n THR 39 N 5.07 1.70 -2.14 1.44 5.66 -1.26 -4.94 114.28 119.82 2d9g n THR 39 Ca 0.18 -0.64 -0.38 0.00 -3.05 0.00 0.00 64.05 60.16 2d9g n THR 39 Cb 0.40 -1.63 0.00 0.00 -1.55 0.00 0.00 70.33 67.56 2d9g n THR 39 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2d9g s ARG 40 N -2.55 3.69 0.21 1.09 0.52 -1.26 -5.03 118.95 115.61 2d9g s ARG 40 Ca -0.25 1.92 0.04 0.00 -0.52 0.00 0.00 55.73 56.92 2d9g s ARG 40 Cb 0.07 -2.45 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 2d9g s ARG 40 CO 0.73 -0.65 0.33 0.15 0.02 0.00 0.00 175.30 175.87 2d9g s LYS 41 N -2.64 3.43 0.00 3.54 -0.14 -1.26 -4.97 119.74 117.69 2d9g s LYS 41 Ca 0.64 -0.71 0.00 0.00 -1.36 0.00 0.00 55.97 54.54 2d9g s LYS 41 Cb -0.32 -2.91 0.00 0.00 -1.68 0.00 0.00 37.83 32.92 2d9g s LYS 41 CO 0.39 0.46 0.46 -0.35 -0.76 0.00 0.00 175.35 175.56 2d9g n PRO 42 N -1.11 0.49 -1.86 -1.68 -0.04 -1.26 -4.83 135.00 124.71 2d9g n PRO 42 Ca -0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.96 2d9g n PRO 42 Cb 0.56 -1.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.98 2d9g n PRO 42 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2d9g s ARG 43 N -1.89 4.17 0.56 0.54 6.06 -1.26 -4.97 118.95 122.16 2d9g s ARG 43 Ca 0.00 2.48 -0.19 0.00 -2.50 0.00 0.00 55.73 55.52 2d9g s ARG 43 Cb 0.00 -3.04 -0.05 0.00 0.06 0.00 0.00 34.95 31.92 2d9g s ARG 43 CO 0.00 -0.53 1.12 -1.25 -2.50 0.00 0.00 175.30 172.14 2d9g s PRO 44 N -0.78 3.27 -1.27 5.12 0.04 -1.26 -3.72 135.00 136.39 2d9g s PRO 44 Ca 0.60 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 2d9g s PRO 44 Cb -0.46 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.10 2d9g s PRO 44 CO 0.49 -0.91 1.01 0.28 0.04 0.00 0.00 177.00 177.91 2d9g n VAL 45 N -1.49 -4.80 -0.09 -0.36 0.31 -1.26 -4.95 118.33 105.69 2d9g n VAL 45 Ca 0.11 -0.34 -0.10 0.00 -0.01 0.00 0.00 64.34 64.00 2d9g n VAL 45 Cb 0.51 -4.47 -0.04 0.00 -0.91 0.00 0.00 33.84 28.94 2d9g n VAL 45 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2d9g n SER 46 N -3.08 1.87 -0.06 4.52 2.88 -1.24 -4.56 113.62 113.94 2d9g n SER 46 Ca -0.19 0.49 -0.15 0.00 -1.33 0.00 0.00 58.87 57.69 2d9g n SER 46 Cb 0.63 -0.84 -0.04 0.00 -0.75 0.00 0.00 64.21 63.22 2d9g n SER 46 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2d9g h GLN 47 N -1.00 0.84 -1.95 -1.46 -0.00 -1.92 -3.47 115.11 106.15 2d9g h GLN 47 Ca -0.10 -0.55 0.11 0.00 -0.00 0.00 0.00 58.65 58.11 2d9g h GLN 47 Cb 0.85 0.07 -0.18 0.00 -0.00 0.00 0.00 27.48 28.22 2d9g h GLN 47 CO -0.06 1.18 0.54 -1.12 -0.00 0.00 0.00 178.83 179.37 2d9g s SER 48 N -6.98 -0.35 -0.38 0.06 0.01 -1.26 -5.13 113.70 99.67 2d9g s SER 48 Ca -0.10 0.15 -0.23 0.00 1.31 0.00 0.00 55.95 57.08 2d9g s SER 48 Cb 0.10 0.34 0.01 0.00 0.21 0.00 0.00 66.02 66.68 2d9g s SER 48 CO 0.89 -0.49 0.80 -0.83 0.41 0.00 0.00 173.24 174.02 2d9g s GLY 49 N -1.95 1.63 0.00 3.44 0.00 -1.26 -4.45 107.32 104.74 2d9g s GLY 49 Ca 0.03 -0.70 0.15 0.00 0.00 0.00 0.00 44.72 44.20 2d9g s GLY 49 CO -0.05 1.79 1.39 -1.55 0.00 0.00 0.00 173.10 174.69 2d9g n PRO 50 N 6.52 0.26 -0.19 2.90 -0.04 -1.26 -2.79 135.00 140.41 2d9g n PRO 50 Ca 0.03 0.12 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2d9g n PRO 50 Cb 0.48 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.54 2d9g n PRO 50 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2d9g n SER 51 N -1.23 1.89 -3.28 3.54 3.41 -1.26 -4.85 113.62 111.85 2d9g n SER 51 Ca 0.08 -2.18 -0.20 0.00 -0.26 0.00 0.00 58.87 56.31 2d9g n SER 51 Cb 0.10 -0.46 0.07 0.00 -0.26 0.00 0.00 64.21 63.67 2d9g n SER 51 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2d9g n SER 52 N 0.12 -5.06 0.00 4.04 2.88 -1.12 -5.33 113.62 109.16 2d9g n SER 52 Ca 0.07 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.10 2d9g n SER 52 Cb 0.41 -4.62 0.00 0.00 -0.75 0.00 0.00 64.21 59.25 2d9g n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42