#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9g h SER 2 N 0.00 -0.18 -3.46 1.61 4.64 -2.06 -3.42 113.55 110.68 2d9g h SER 2 Ca 0.00 0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.83 2d9g h SER 2 Cb 0.00 0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 2d9g h SER 2 CO 0.00 -0.07 -0.06 -0.55 -0.87 0.00 0.00 176.83 175.28 2d9g s SER 3 N -5.16 6.73 -0.99 4.97 0.15 -1.26 -4.96 113.70 113.18 2d9g s SER 3 Ca -0.14 1.05 -0.22 0.00 0.70 0.00 0.00 55.95 57.34 2d9g s SER 3 Cb 0.09 -2.28 -0.12 0.00 -1.71 0.00 0.00 66.02 62.00 2d9g s SER 3 CO 0.67 -0.04 1.92 0.61 1.20 0.00 0.00 173.24 177.61 2d9g n GLY 4 N 0.15 1.81 0.08 9.45 0.00 -1.26 -4.58 105.19 110.84 2d9g n GLY 4 Ca -0.01 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2d9g n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2d9g h SER 5 N 8.77 0.00 -3.01 1.61 0.87 -1.93 -3.48 113.55 116.38 2d9g h SER 5 Ca 0.32 -0.17 -0.65 0.00 -1.23 0.00 0.00 61.79 60.07 2d9g h SER 5 Cb 0.81 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.68 2d9g h SER 5 CO 1.59 0.98 -0.55 -0.94 -0.53 0.00 0.00 176.83 177.37 2d9g s SER 6 N -6.08 5.89 -0.57 6.23 1.04 -1.26 -5.05 113.70 113.91 2d9g s SER 6 Ca -0.19 0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.49 2d9g s SER 6 Cb 0.03 -1.74 0.35 0.00 0.10 0.00 0.00 66.02 64.76 2d9g s SER 6 CO 0.33 0.26 0.97 0.61 0.98 0.00 0.00 173.24 176.39 2d9g n GLY 7 N 1.03 5.66 3.71 7.32 0.00 -1.26 -4.90 105.19 116.76 2d9g n GLY 7 Ca -0.12 -2.79 -0.41 0.00 0.00 0.00 0.00 46.02 42.70 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 -3.48 7.21 -0.10 1.61 1.01 -1.26 -4.97 116.67 116.69 2d9g s ASP 8 Ca 0.49 1.47 -0.28 0.00 0.71 0.00 0.00 52.55 54.94 2d9g s ASP 8 Cb 0.29 -2.51 -0.25 0.00 1.01 0.00 0.00 42.92 41.47 2d9g s ASP 8 CO -0.15 -0.22 0.92 -0.33 0.21 0.00 0.00 175.17 175.61 2d9g h GLU 9 N 6.81 0.03 0.00 8.23 4.39 -2.07 -3.47 114.58 128.49 2d9g h GLU 9 Ca -0.40 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2d9g h GLU 9 Cb 1.21 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2d9g h GLU 9 CO 0.76 0.88 0.00 0.41 -1.16 0.00 0.00 179.01 179.90 2d9g n GLY 10 N 1.23 1.80 3.75 -3.84 0.00 -1.26 -4.91 105.19 101.96 2d9g n GLY 10 Ca -0.10 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.16 1.61 1.13 -1.26 -3.94 117.35 117.64 2d9g s TYR 11 Ca 0.00 0.94 -0.04 0.00 -1.41 0.00 0.00 57.07 56.56 2d9g s TYR 11 Cb 0.00 -3.92 -0.03 0.00 -1.10 0.00 0.00 41.96 36.91 2d9g s TYR 11 CO 0.00 -3.02 -0.03 1.67 -2.51 0.00 0.00 175.55 171.66 2d9g s TRP 12 N -0.04 3.04 0.27 -3.49 1.48 -1.13 -4.93 118.94 114.14 2d9g s TRP 12 Ca 0.61 -0.27 -0.28 0.00 -1.06 0.00 0.00 56.10 55.10 2d9g s TRP 12 Cb -0.44 -1.96 -0.09 0.00 -1.16 0.00 0.00 33.47 29.81 2d9g s TRP 12 CO 0.46 -0.01 0.95 -0.51 -4.06 0.00 0.00 176.95 173.77 2d9g s ASP 13 N 0.34 7.52 0.51 -2.66 1.01 -1.26 -3.39 116.67 118.73 2d9g s ASP 13 Ca -0.04 1.92 -0.05 0.00 0.71 0.00 0.00 52.55 55.09 2d9g s ASP 13 Cb -0.14 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 2d9g s ASP 13 CO 0.03 0.06 0.81 0.00 0.21 0.00 0.00 175.17 176.28 2d9g n SER 15 N -2.34 3.88 0.33 0.00 7.64 -1.26 -3.79 113.62 118.08 2d9g n SER 15 Ca 0.02 -0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.76 2d9g n SER 15 Cb 0.56 0.39 -0.06 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 -0.27 0.44 2.07 -1.97 -3.33 116.25 113.19 2d9g h VAL 16 Ca -0.11 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.28 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 0.82 -0.91 -3.34 0.00 -2.24 -1.25 -4.93 114.28 102.43 2d9g n THR 18 Ca 0.12 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.53 2d9g n THR 18 Cb 0.43 -2.07 -0.06 0.00 -2.10 0.00 0.00 70.33 66.53 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 3.70 0.09 4.78 5.36 -1.26 -4.71 117.98 123.13 2d9g s PHE 19 Ca 0.15 1.14 -0.26 0.00 -0.96 0.00 0.00 56.93 57.00 2d9g s PHE 19 Cb -0.08 -2.41 -0.06 0.00 -0.34 0.00 0.00 43.02 40.13 2d9g s PHE 19 CO 0.19 0.52 0.80 0.50 -1.46 0.00 0.00 175.22 175.77 2d9g s ARG 20 N -1.50 4.55 0.17 10.12 3.52 -1.26 -2.25 118.95 132.30 2d9g s ARG 20 Ca 0.32 1.16 -0.00 0.00 -0.13 0.00 0.00 55.73 57.08 2d9g s ARG 20 Cb -0.17 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 2d9g s ARG 20 CO 0.18 0.34 0.08 -0.80 -0.81 0.00 0.00 175.30 174.29 2d9g s ASN 21 N -0.31 0.46 0.35 -2.12 0.01 -1.22 -4.91 114.94 107.20 2d9g s ASN 21 Ca 0.39 -1.27 0.01 0.00 -0.71 0.00 0.00 52.86 51.28 2d9g s ASN 21 Cb -0.22 0.29 -0.03 0.00 0.41 0.00 0.00 41.25 41.70 2d9g s ASN 21 CO 0.25 -0.74 0.55 -0.44 -1.51 0.00 0.00 177.10 175.20 2d9g s SER 22 N -3.12 6.20 0.07 -1.22 0.01 -1.26 -2.83 113.70 111.55 2d9g s SER 22 Ca 0.30 0.35 -0.30 0.00 1.31 0.00 0.00 55.95 57.61 2d9g s SER 22 Cb 0.07 -1.89 -0.18 0.00 0.21 0.00 0.00 66.02 64.24 2d9g s SER 22 CO 0.06 -0.35 1.65 0.00 0.41 0.00 0.00 173.24 175.01 2d9g h ALA 23 N 0.74 -0.64 -1.35 1.44 0.00 -1.92 -2.45 119.26 115.08 2d9g h ALA 23 Ca -0.49 -0.14 0.41 0.00 0.00 0.00 0.00 54.91 54.69 2d9g h ALA 23 Cb 1.23 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 2d9g h ALA 23 CO 0.60 -0.86 0.90 1.05 0.00 0.00 0.00 179.25 180.95 2d9g h GLU 24 N -0.65 0.11 -6.25 0.00 4.11 -1.96 -3.38 114.58 106.56 2d9g h GLU 24 Ca -0.07 -0.01 -0.55 0.00 0.07 0.00 0.00 59.36 58.80 2d9g h GLU 24 Cb 0.50 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2d9g h GLU 24 CO 0.11 0.07 1.22 0.00 0.07 0.00 0.00 179.01 180.49 2d9g s ALA 25 N -5.22 3.35 0.22 1.06 0.00 -0.92 -4.88 121.76 115.38 2d9g s ALA 25 Ca -0.07 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 2d9g s ALA 25 Cb 0.27 -3.87 0.33 0.00 0.00 0.00 0.00 23.12 19.85 2d9g s ALA 25 CO 0.83 -1.86 1.78 0.27 0.00 0.00 0.00 175.76 176.77 2d9g h PHE 26 N 11.24 0.61 -4.41 0.00 -0.00 -1.86 -3.45 116.94 119.07 2d9g h PHE 26 Ca -0.42 0.03 -0.30 0.00 -0.00 0.00 0.00 57.97 57.29 2d9g h PHE 26 Cb 1.20 -0.17 -0.11 0.00 -0.00 0.00 0.00 35.95 36.87 2d9g h PHE 26 CO 0.93 0.22 -0.38 0.15 -0.00 0.00 0.00 178.31 179.23 2d9g s LYS 27 N -6.06 1.64 1.02 6.09 1.02 -1.26 -4.51 119.74 117.68 2d9g s LYS 27 Ca -0.13 -1.74 -0.15 0.00 0.02 0.00 0.00 55.97 53.97 2d9g s LYS 27 Cb 0.18 0.37 0.07 0.00 -0.52 0.00 0.00 37.83 37.93 2d9g s LYS 27 CO 0.76 -0.63 0.26 0.00 -0.92 0.00 0.00 175.35 174.83 2d9g n MET 29 N -1.95 1.43 0.09 0.00 1.56 -1.26 -3.65 117.12 113.34 2d9g n MET 29 Ca 0.04 0.03 -0.04 0.00 -0.27 0.00 0.00 57.70 57.46 2d9g n MET 29 Cb 0.57 -1.27 -0.02 0.00 2.15 0.00 0.00 33.22 34.65 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 -0.26 0.00 2.12 1.85 -1.94 -3.37 114.93 113.32 2d9g h MET 30 Ca -0.29 0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 58.78 2d9g h MET 30 Cb 1.57 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.65 2d9g h MET 30 CO -0.01 -0.18 -1.20 0.00 -0.40 0.00 0.00 176.91 175.13 2d9g n ASP 32 N -2.67 -4.25 -4.81 0.00 8.00 -1.24 -5.00 116.55 106.57 2d9g n ASP 32 Ca -0.02 -0.43 -0.38 0.00 0.71 0.00 0.00 54.79 54.67 2d9g n ASP 32 Cb 0.61 -3.98 -0.06 0.00 -0.02 0.00 0.00 41.12 37.67 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 -3.25 5.15 0.32 2.53 0.11 -1.26 -4.71 120.40 119.28 2d9g s VAL 33 Ca 0.30 0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 59.79 2d9g s VAL 33 Cb -0.13 -3.67 -0.11 0.00 -1.53 0.00 0.00 36.38 30.93 2d9g s VAL 33 CO 0.56 0.52 1.52 -0.60 -3.33 0.00 0.00 175.10 173.77 2d9g s ARG 34 N -0.63 4.15 0.54 1.54 3.52 -1.26 -2.74 118.95 124.07 2d9g s ARG 34 Ca 0.22 2.52 0.08 0.00 -0.13 0.00 0.00 55.73 58.42 2d9g s ARG 34 Cb -0.15 -3.02 0.05 0.00 -1.56 0.00 0.00 34.95 30.27 2d9g s ARG 34 CO 0.10 -0.55 0.59 -1.59 -0.81 0.00 0.00 175.30 173.05 2d9g s LYS 35 N -1.11 2.33 0.00 5.12 -2.85 -1.26 -4.97 119.74 116.99 2d9g s LYS 35 Ca 0.58 -1.77 0.00 0.00 -1.00 0.00 0.00 55.97 53.78 2d9g s LYS 35 Cb -0.46 -2.41 0.00 0.00 -2.06 0.00 0.00 37.83 32.90 2d9g s LYS 35 CO 0.53 -0.68 0.00 0.41 0.10 0.00 0.00 175.35 175.71 2d9g n GLY 36 N -1.97 3.43 3.88 0.59 0.00 -1.26 -5.10 105.19 104.76 2d9g n GLY 36 Ca 0.07 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.99 5.46 0.11 2.61 2.01 -1.26 -5.02 115.64 117.57 2d9g s THR 37 Ca 0.00 0.21 -0.32 0.00 0.31 0.00 0.00 61.69 61.88 2d9g s THR 37 Cb 0.00 -3.44 -0.11 0.00 0.01 0.00 0.00 72.50 68.95 2d9g s THR 37 CO 0.00 0.57 1.57 -1.28 -0.69 0.00 0.00 174.62 174.79 2d9g h SER 38 N 4.78 -1.45 -4.88 3.53 0.87 -2.07 -3.46 113.55 110.87 2d9g h SER 38 Ca -0.54 0.16 -0.32 0.00 -1.23 0.00 0.00 61.79 59.87 2d9g h SER 38 Cb 1.22 0.55 0.11 0.00 -0.44 0.00 0.00 62.40 63.85 2d9g h SER 38 CO 0.60 -0.51 -0.55 0.41 -0.53 0.00 0.00 176.83 176.25 2d9g n THR 39 N -5.47 -2.50 -2.81 2.23 -1.04 -1.26 -4.98 114.28 98.46 2d9g n THR 39 Ca -0.07 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.52 2d9g n THR 39 Cb 0.39 -3.54 -0.05 0.00 -1.82 0.00 0.00 70.33 65.31 2d9g n THR 39 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2d9g s ARG 40 N -6.02 4.71 -0.18 -2.82 6.06 -1.26 -5.05 118.95 114.39 2d9g s ARG 40 Ca 0.45 1.37 -0.03 0.00 -2.50 0.00 0.00 55.73 55.02 2d9g s ARG 40 Cb -0.20 -3.33 -0.02 0.00 0.06 0.00 0.00 34.95 31.47 2d9g s ARG 40 CO 0.58 0.38 -0.05 0.21 -2.50 0.00 0.00 175.30 173.92 2d9g s LYS 41 N -0.58 3.50 0.28 5.12 2.47 -1.26 -4.98 119.74 124.29 2d9g s LYS 41 Ca 0.42 -0.59 0.24 0.00 -1.56 0.00 0.00 55.97 54.48 2d9g s LYS 41 Cb -0.24 -2.92 1.01 0.00 -1.46 0.00 0.00 37.83 34.22 2d9g s LYS 41 CO 0.29 0.04 1.73 -1.00 0.16 0.00 0.00 175.35 176.57 2d9g h PRO 42 N 7.35 0.00 -6.37 4.03 0.13 -2.06 -3.44 132.00 131.63 2d9g h PRO 42 Ca -0.34 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.25 2d9g h PRO 42 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 2d9g h PRO 42 CO 0.60 0.00 1.14 1.03 -0.23 0.00 0.00 178.00 180.54 2d9g s ARG 43 N -3.35 4.16 0.07 0.86 0.52 -1.26 -4.94 118.95 115.02 2d9g s ARG 43 Ca 0.04 2.46 -0.31 0.00 -0.52 0.00 0.00 55.73 57.40 2d9g s ARG 43 Cb 0.09 -3.94 -0.07 0.00 0.52 0.00 0.00 34.95 31.55 2d9g s ARG 43 CO 0.40 -0.88 1.39 -1.25 0.02 0.00 0.00 175.30 174.98 2d9g s PRO 44 N 3.79 4.31 -0.45 3.54 0.04 -1.26 -4.94 135.00 140.03 2d9g s PRO 44 Ca 0.81 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.60 2d9g s PRO 44 Cb -0.40 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 30.74 2d9g s PRO 44 CO 0.36 -0.48 1.75 0.08 0.04 0.00 0.00 177.00 178.75 2d9g s VAL 45 N 1.59 3.51 -0.06 -0.36 1.01 -1.26 -4.96 120.40 119.88 2d9g s VAL 45 Ca 0.64 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 2d9g s VAL 45 Cb -0.35 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.19 2d9g s VAL 45 CO 0.29 -0.68 0.02 -0.55 0.00 0.00 0.00 175.10 174.18 2d9g s SER 46 N 6.41 1.26 -0.46 3.32 0.15 -1.26 -5.11 113.70 118.01 2d9g s SER 46 Ca 0.71 -0.03 -0.16 0.00 0.70 0.00 0.00 55.95 57.18 2d9g s SER 46 Cb -0.17 -0.32 0.06 0.00 -1.71 0.00 0.00 66.02 63.87 2d9g s SER 46 CO 0.28 -0.19 0.38 -1.10 1.20 0.00 0.00 173.24 173.81 2d9g s GLN 47 N 1.85 2.98 0.08 5.44 1.11 -1.26 -4.94 119.66 124.92 2d9g s GLN 47 Ca 0.02 -1.23 -0.17 0.00 0.01 0.00 0.00 55.36 53.98 2d9g s GLN 47 Cb -0.12 -4.09 -0.09 0.00 -1.01 0.00 0.00 33.01 27.70 2d9g s GLN 47 CO -0.04 -0.96 1.45 0.77 0.01 0.00 0.00 175.29 176.52 2d9g h SER 48 N 8.73 0.54 -0.05 5.90 0.02 -2.03 -3.48 113.55 123.19 2d9g h SER 48 Ca -0.28 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2d9g h SER 48 Cb 1.11 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2d9g h SER 48 CO 0.84 0.83 0.00 0.61 -1.14 0.00 0.00 176.83 177.97 2d9g n GLY 49 N -0.03 3.88 3.77 -3.77 0.00 -1.26 -5.16 105.19 102.62 2d9g n GLY 49 Ca -0.04 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.44 2.66 -0.19 1.61 0.04 -1.26 -5.05 135.00 131.37 2d9g s PRO 50 Ca 0.00 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.38 2d9g s PRO 50 Cb 0.00 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.64 2d9g s PRO 50 CO 0.00 -1.35 -0.12 -1.12 0.04 0.00 0.00 177.00 174.45 2d9g s SER 51 N -2.80 3.28 0.16 6.66 0.01 -1.26 -5.02 113.70 114.73 2d9g s SER 51 Ca 0.65 -0.81 -0.17 0.00 1.31 0.00 0.00 55.95 56.93 2d9g s SER 51 Cb -0.20 -1.25 0.07 0.00 0.21 0.00 0.00 66.02 64.86 2d9g s SER 51 CO 0.45 -0.12 1.68 0.28 0.41 0.00 0.00 173.24 175.95 2d9g h SER 52 N 7.98 -0.28 0.00 2.44 0.02 -2.09 -3.57 113.55 118.05 2d9g h SER 52 Ca -0.30 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2d9g h SER 52 Cb 1.10 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2d9g h SER 52 CO 0.49 -0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.70