#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 1.32 -0.09 1.61 0.01 -1.26 -5.07 113.70 110.22 2d9g s SER 2 Ca 0.00 -0.21 -0.02 0.00 1.31 0.00 0.00 55.95 57.03 2d9g s SER 2 Cb 0.00 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 2d9g s SER 2 CO 0.00 0.09 -0.04 -1.28 0.41 0.00 0.00 173.24 172.42 2d9g h SER 3 N 6.25 0.00 -3.90 2.44 0.87 -2.12 -3.51 113.55 113.58 2d9g h SER 3 Ca -0.33 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.28 2d9g h SER 3 Cb 1.17 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 2d9g h SER 3 CO 0.49 0.46 -0.51 0.61 -0.53 0.00 0.00 176.83 177.35 2d9g n GLY 4 N 1.77 -3.27 3.71 5.77 0.00 -1.26 -4.89 105.19 107.02 2d9g n GLY 4 Ca -0.02 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 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 -4.57 6.56 0.79 1.61 0.01 -1.26 -5.06 113.70 111.78 2d9g s SER 5 Ca 0.00 0.67 -0.13 0.00 1.31 0.00 0.00 55.95 57.80 2d9g s SER 5 Cb 0.00 -2.25 0.07 0.00 0.21 0.00 0.00 66.02 64.05 2d9g s SER 5 CO 0.00 -0.01 1.18 -0.55 0.41 0.00 0.00 173.24 174.27 2d9g s SER 6 N 0.72 3.83 0.00 2.44 0.15 -1.26 -3.41 113.70 116.17 2d9g s SER 6 Ca 0.22 2.25 0.00 0.00 0.70 0.00 0.00 55.95 59.12 2d9g s SER 6 Cb -0.15 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2d9g s SER 6 CO 0.08 -2.50 0.00 0.61 1.20 0.00 0.00 173.24 172.63 2d9g n GLY 7 N 0.16 2.27 0.24 9.45 0.00 -1.26 -4.78 105.19 111.28 2d9g n GLY 7 Ca 0.12 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 2d9g n GLY 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d9g h ASP 8 N 0.00 -0.62 -3.67 1.61 5.19 -2.00 -3.36 116.42 113.56 2d9g h ASP 8 Ca 0.00 0.17 -0.56 0.00 -0.62 0.00 0.00 57.03 56.01 2d9g h ASP 8 Cb 0.00 0.37 -0.07 0.00 0.18 0.00 0.00 39.33 39.81 2d9g h ASP 8 CO 0.00 -0.21 0.89 -0.70 -3.12 0.00 0.00 179.24 176.10 2d9g s GLU 9 N -6.18 3.74 0.00 3.56 -6.30 -1.26 -4.32 118.70 107.94 2d9g s GLU 9 Ca -0.14 0.58 0.00 0.00 -2.50 0.00 0.00 54.97 52.91 2d9g s GLU 9 Cb 0.17 -3.89 0.00 0.00 0.00 0.00 0.00 34.13 30.40 2d9g s GLU 9 CO 0.72 -1.33 0.00 0.41 0.02 0.00 0.00 175.26 175.08 2d9g n GLY 10 N 4.77 0.00 3.83 -1.50 0.00 -1.26 -5.08 105.19 105.95 2d9g n GLY 10 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 3.40 -0.12 1.61 -0.85 -1.26 -4.07 117.35 116.05 2d9g s TYR 11 Ca 0.00 1.44 0.01 0.00 -0.52 0.00 0.00 57.07 58.00 2d9g s TYR 11 Cb 0.00 -2.70 -0.02 0.00 0.38 0.00 0.00 41.96 39.62 2d9g s TYR 11 CO 0.00 0.04 -0.14 1.67 -1.52 0.00 0.00 175.55 175.60 2d9g s TRP 12 N -2.00 2.78 0.10 -3.49 1.48 -1.25 -4.94 118.94 111.62 2d9g s TRP 12 Ca 0.56 -0.61 -0.27 0.00 -1.06 0.00 0.00 56.10 54.71 2d9g s TRP 12 Cb -0.11 -1.81 -0.06 0.00 -1.16 0.00 0.00 33.47 30.33 2d9g s TRP 12 CO 0.16 -0.18 0.85 0.16 -4.06 0.00 0.00 176.95 173.89 2d9g s ASP 13 N 0.22 7.37 0.68 -2.66 1.47 -1.26 -3.61 116.67 118.89 2d9g s ASP 13 Ca -0.09 1.64 -0.11 0.00 1.18 0.00 0.00 52.55 55.17 2d9g s ASP 13 Cb -0.15 -2.53 -0.00 0.00 -0.34 0.00 0.00 42.92 39.90 2d9g s ASP 13 CO 0.05 0.02 1.07 0.00 0.68 0.00 0.00 175.17 176.99 2d9g n SER 15 N -2.98 3.65 0.26 0.00 2.88 -1.26 -3.78 113.62 112.39 2d9g n SER 15 Ca 0.07 -0.01 -0.11 0.00 -1.33 0.00 0.00 58.87 57.49 2d9g n SER 15 Cb 0.55 0.34 -0.05 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 -0.22 2.46 2.07 -1.98 -3.33 116.25 115.26 2d9g h VAL 16 Ca -0.14 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2d9g h VAL 16 Cb 1.28 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 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 1.13 -0.91 -3.35 0.00 -2.24 -1.25 -4.94 114.28 102.73 2d9g n THR 18 Ca 0.14 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.59 2d9g n THR 18 Cb 0.50 -2.05 -0.06 0.00 -2.10 0.00 0.00 70.33 66.63 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 -2.80 3.50 -0.20 4.78 5.36 -1.26 -4.72 117.98 122.64 2d9g s PHE 19 Ca 0.16 1.01 -0.21 0.00 -0.96 0.00 0.00 56.93 56.93 2d9g s PHE 19 Cb -0.08 -2.35 -0.02 0.00 -0.34 0.00 0.00 43.02 40.23 2d9g s PHE 19 CO 0.20 0.32 0.66 0.50 -1.46 0.00 0.00 175.22 175.43 2d9g s ARG 20 N -2.46 4.22 0.33 10.12 3.52 -1.26 -2.07 118.95 131.35 2d9g s ARG 20 Ca 0.44 0.66 0.10 0.00 -0.13 0.00 0.00 55.73 56.80 2d9g s ARG 20 Cb -0.13 -3.58 -0.06 0.00 -1.56 0.00 0.00 34.95 29.62 2d9g s ARG 20 CO 0.20 -0.26 -0.07 -0.80 -0.81 0.00 0.00 175.30 173.56 2d9g s ASN 21 N 1.20 3.89 0.47 -2.12 0.01 -1.24 -4.93 114.94 112.24 2d9g s ASN 21 Ca 0.30 -1.09 -0.12 0.00 -0.71 0.00 0.00 52.86 51.24 2d9g s ASN 21 Cb -0.16 -0.42 -0.06 0.00 0.41 0.00 0.00 41.25 41.01 2d9g s ASN 21 CO 0.10 -0.17 0.88 -0.44 -1.51 0.00 0.00 177.10 175.96 2d9g s SER 22 N -3.63 6.51 0.12 -1.22 0.01 -1.26 -3.76 113.70 110.46 2d9g s SER 22 Ca 0.33 1.31 -0.23 0.00 1.31 0.00 0.00 55.95 58.67 2d9g s SER 22 Cb 0.00 -2.40 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 2d9g s SER 22 CO 0.17 -0.53 1.69 0.00 0.41 0.00 0.00 173.24 174.98 2d9g h ALA 23 N 0.89 -0.06 -0.87 1.44 0.00 -1.86 -2.26 119.26 116.54 2d9g h ALA 23 Ca -0.47 0.03 0.19 0.00 0.00 0.00 0.00 54.91 54.66 2d9g h ALA 23 Cb 1.19 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 19.06 2d9g h ALA 23 CO 0.63 -0.57 0.41 0.93 0.00 0.00 0.00 179.25 180.65 2d9g h GLU 24 N -0.14 0.49 -6.17 0.00 5.08 -1.89 -3.38 114.58 108.56 2d9g h GLU 24 Ca 0.06 -0.03 -0.58 0.00 -1.00 0.00 0.00 59.36 57.81 2d9g h GLU 24 Cb 0.23 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2d9g h GLU 24 CO -0.15 0.32 1.34 0.00 -1.00 0.00 0.00 179.01 179.52 2d9g s ALA 25 N -5.92 2.90 0.12 3.43 0.00 -0.85 -4.87 121.76 116.57 2d9g s ALA 25 Ca -0.12 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.22 2d9g s ALA 25 Cb 0.24 -4.01 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 2d9g s ALA 25 CO 0.78 -2.56 1.64 0.27 0.00 0.00 0.00 175.76 175.89 2d9g h PHE 26 N 13.33 0.61 -1.91 0.00 -5.15 -1.83 -3.44 116.94 118.55 2d9g h PHE 26 Ca -0.37 -0.06 -0.55 0.00 -0.20 0.00 0.00 57.97 56.79 2d9g h PHE 26 Cb 1.20 -0.18 -0.08 0.00 0.22 0.00 0.00 35.95 37.11 2d9g h PHE 26 CO 0.95 0.58 -0.55 -1.59 -2.00 0.00 0.00 178.31 175.70 2d9g s LYS 27 N -5.39 2.36 1.07 6.09 -2.85 -1.26 -4.23 119.74 115.54 2d9g s LYS 27 Ca -0.13 -1.54 -0.13 0.00 -1.00 0.00 0.00 55.97 53.17 2d9g s LYS 27 Cb 0.10 -2.17 0.20 0.00 -2.06 0.00 0.00 37.83 33.90 2d9g s LYS 27 CO 0.76 0.13 0.85 0.00 0.10 0.00 0.00 175.35 177.19 2d9g n MET 29 N -4.05 1.68 0.03 0.00 1.56 -1.26 -3.63 117.12 111.45 2d9g n MET 29 Ca 0.06 0.02 -0.02 0.00 -0.27 0.00 0.00 57.70 57.48 2d9g n MET 29 Cb 0.54 -1.30 -0.01 0.00 2.15 0.00 0.00 33.22 34.60 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 -0.13 0.00 2.12 1.85 -1.94 -3.38 114.93 113.45 2d9g h MET 30 Ca -0.32 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 58.76 2d9g h MET 30 Cb 1.67 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 33.73 2d9g h MET 30 CO 0.00 -0.09 -0.99 0.00 -0.40 0.00 0.00 176.91 175.44 2d9g n ASP 32 N -2.72 -2.73 -4.92 0.00 9.92 -1.24 -5.01 116.55 109.85 2d9g n ASP 32 Ca -0.01 -0.47 -0.28 0.00 -0.53 0.00 0.00 54.79 53.50 2d9g n ASP 32 Cb 0.58 -4.12 -0.03 0.00 -0.64 0.00 0.00 41.12 36.90 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 -3.28 5.13 0.27 2.53 0.11 -1.26 -4.71 120.40 119.19 2d9g s VAL 33 Ca 0.09 -0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 58.66 2d9g s VAL 33 Cb -0.04 -3.73 -0.09 0.00 -1.53 0.00 0.00 36.38 30.98 2d9g s VAL 33 CO 0.57 -0.23 1.10 0.00 -3.33 0.00 0.00 175.10 173.21 2d9g s ARG 34 N -3.40 4.64 0.48 1.54 1.70 -1.26 -1.96 118.95 120.70 2d9g s ARG 34 Ca 0.41 1.79 0.06 0.00 -0.47 0.00 0.00 55.73 57.52 2d9g s ARG 34 Cb -0.11 -3.20 -0.01 0.00 -0.57 0.00 0.00 34.95 31.07 2d9g s ARG 34 CO 0.29 0.20 0.26 -1.59 -1.08 0.00 0.00 175.30 173.39 2d9g s LYS 35 N -1.35 2.26 -0.15 3.89 -2.85 -1.26 -4.96 119.74 115.33 2d9g s LYS 35 Ca 0.45 -1.99 -0.01 0.00 -1.00 0.00 0.00 55.97 53.42 2d9g s LYS 35 Cb -0.32 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 33.47 2d9g s LYS 35 CO 0.40 -0.37 0.02 0.41 0.10 0.00 0.00 175.35 175.91 2d9g n GLY 36 N -1.49 -3.29 3.23 0.59 0.00 -1.26 -5.05 105.19 97.92 2d9g n GLY 36 Ca -0.04 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2d9g n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d9g s THR 37 N -0.83 1.66 0.30 2.61 2.01 -1.26 -5.14 115.64 114.99 2d9g s THR 37 Ca 0.01 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.15 2d9g s THR 37 Cb -0.00 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2d9g s THR 37 CO 0.36 0.47 0.18 -0.44 -0.69 0.00 0.00 174.62 174.49 2d9g s SER 38 N -0.49 1.43 -0.16 3.53 0.01 -1.26 -5.09 113.70 111.68 2d9g s SER 38 Ca 0.08 -1.58 -0.19 0.00 1.31 0.00 0.00 55.95 55.57 2d9g s SER 38 Cb -0.08 0.42 -0.16 0.00 0.21 0.00 0.00 66.02 66.41 2d9g s SER 38 CO -0.01 -0.91 0.33 0.74 0.41 0.00 0.00 173.24 173.80 2d9g h THR 39 N 2.24 0.97 -3.29 1.44 2.02 -2.09 -3.46 112.91 110.74 2d9g h THR 39 Ca -0.32 -1.89 -0.54 0.00 0.77 0.00 0.00 66.41 64.43 2d9g h THR 39 Cb 1.25 1.99 -0.35 0.00 -1.74 0.00 0.00 68.15 69.30 2d9g h THR 39 CO 0.49 0.33 -0.82 -0.60 0.37 0.00 0.00 175.52 175.29 2d9g s ARG 40 N -2.16 1.82 -0.31 6.66 6.06 -1.26 -5.11 118.95 124.64 2d9g s ARG 40 Ca -0.19 -0.41 -0.19 0.00 -2.50 0.00 0.00 55.73 52.44 2d9g s ARG 40 Cb 0.01 -1.63 -0.01 0.00 0.06 0.00 0.00 34.95 33.38 2d9g s ARG 40 CO 0.48 -0.10 0.57 0.15 -2.50 0.00 0.00 175.30 173.90 2d9g s LYS 41 N 1.12 3.85 0.00 5.12 1.02 -1.26 -4.92 119.74 124.67 2d9g s LYS 41 Ca -0.05 0.17 0.06 0.00 0.02 0.00 0.00 55.97 56.16 2d9g s LYS 41 Cb -0.14 -3.74 0.35 0.00 -0.52 0.00 0.00 37.83 33.78 2d9g s LYS 41 CO -0.02 -0.55 0.81 -0.35 -0.92 0.00 0.00 175.35 174.31 2d9g n PRO 42 N 5.78 0.49 -4.04 -1.68 -0.04 -1.26 -4.74 135.00 129.51 2d9g n PRO 42 Ca -0.03 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.22 2d9g n PRO 42 Cb 0.49 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.73 2d9g n PRO 42 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2d9g s ARG 43 N -2.00 3.07 0.91 0.54 0.52 -1.26 -5.11 118.95 115.61 2d9g s ARG 43 Ca 0.09 -0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 2d9g s ARG 43 Cb 0.04 -2.66 0.13 0.00 0.52 0.00 0.00 34.95 32.99 2d9g s ARG 43 CO 0.07 0.38 1.09 -1.25 0.02 0.00 0.00 175.30 175.61 2d9g s PRO 44 N -3.90 1.17 0.21 3.54 0.04 -1.26 -4.93 135.00 129.87 2d9g s PRO 44 Ca 0.34 0.79 -0.16 0.00 0.04 0.00 0.00 61.00 62.01 2d9g s PRO 44 Cb -0.08 -1.80 0.22 0.00 0.04 0.00 0.00 34.50 32.88 2d9g s PRO 44 CO 0.26 -2.29 1.60 0.28 0.04 0.00 0.00 177.00 176.89 2d9g h VAL 45 N -1.59 0.22 -3.22 -0.36 2.07 -1.99 -3.43 116.25 107.96 2d9g h VAL 45 Ca -0.50 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 2d9g h VAL 45 Cb 1.29 0.22 -0.16 0.00 -1.52 0.00 0.00 31.29 31.12 2d9g h VAL 45 CO 0.55 0.00 -0.14 -0.55 0.02 0.00 0.00 177.57 177.45 2d9g s SER 46 N -5.21 -0.22 0.56 0.57 0.15 -1.26 -5.16 113.70 103.12 2d9g s SER 46 Ca -0.14 -0.15 -0.16 0.00 0.70 0.00 0.00 55.95 56.19 2d9g s SER 46 Cb 0.19 0.42 -0.06 0.00 -1.71 0.00 0.00 66.02 64.86 2d9g s SER 46 CO 0.72 -0.70 1.02 -1.58 1.20 0.00 0.00 173.24 173.90 2d9g s GLN 47 N -2.89 3.62 -1.33 5.44 0.74 -1.26 -3.85 119.66 120.13 2d9g s GLN 47 Ca -0.03 1.08 -0.07 0.00 0.05 0.00 0.00 55.36 56.39 2d9g s GLN 47 Cb 0.00 -2.08 0.01 0.00 1.10 0.00 0.00 33.01 32.04 2d9g s GLN 47 CO -0.05 -0.55 1.14 0.45 -0.55 0.00 0.00 175.29 175.73 2d9g n SER 48 N -1.82 -5.48 0.00 6.67 2.88 -1.26 -4.98 113.62 109.63 2d9g n SER 48 Ca 0.08 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 2d9g n SER 48 Cb 0.53 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 58.98 2d9g n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d9g n GLY 49 N -1.84 0.47 0.07 0.46 0.00 -1.25 -4.98 105.19 98.13 2d9g n GLY 49 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.06 -6.22 1.61 0.13 -1.94 -3.46 132.00 122.18 2d9g h PRO 50 Ca 0.00 -0.03 -0.48 0.00 -0.87 0.00 0.00 66.00 64.62 2d9g h PRO 50 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2d9g h PRO 50 CO 0.00 0.53 -0.42 -1.12 -0.23 0.00 0.00 178.00 176.76 2d9g s SER 51 N -5.76 5.41 0.26 1.44 0.01 -1.26 -5.14 113.70 108.67 2d9g s SER 51 Ca -0.16 -0.45 0.10 0.00 1.31 0.00 0.00 55.95 56.75 2d9g s SER 51 Cb 0.02 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.23 2d9g s SER 51 CO 0.69 -0.40 -0.03 -0.44 0.41 0.00 0.00 173.24 173.46 2d9g s SER 52 N -4.05 4.41 0.00 2.44 0.01 -1.26 -4.45 113.70 110.80 2d9g s SER 52 Ca 0.43 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2d9g s SER 52 Cb -0.06 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2d9g s SER 52 CO 0.28 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.55