#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jy2 s LYS 65 N 0.00 3.03 0.18 2.89 -2.85 -1.26 -4.92 119.74 116.80 1jy2 s LYS 65 Ca 0.00 1.75 -0.32 0.00 -1.00 0.00 0.00 55.97 56.41 1jy2 s LYS 65 Cb 0.00 -1.95 -0.10 0.00 -2.06 0.00 0.00 37.83 33.72 1jy2 s LYS 65 CO 0.00 -1.14 1.59 -2.14 0.10 0.00 0.00 175.35 173.76 1jy2 s PRO 66 N -3.37 4.20 0.32 1.78 0.02 -1.26 -4.95 135.00 131.74 1jy2 s PRO 66 Ca 0.76 2.40 -0.27 0.00 0.02 0.00 0.00 61.00 63.91 1jy2 s PRO 66 Cb -0.28 -3.14 -0.09 0.00 0.02 0.00 0.00 34.50 31.01 1jy2 s PRO 66 CO 0.32 -0.62 1.05 -1.25 -0.33 0.00 0.00 177.00 176.17 1jy2 s PRO 67 N 1.07 4.48 -0.01 5.54 0.04 -1.26 -5.05 135.00 139.80 1jy2 s PRO 67 Ca 0.70 1.62 0.06 0.00 0.04 0.00 0.00 61.00 63.42 1jy2 s PRO 67 Cb -0.45 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 1jy2 s PRO 67 CO 0.32 0.11 -0.18 -0.51 0.04 0.00 0.00 177.00 176.78 1jy2 s ASP 68 N -1.23 2.15 0.04 6.66 -0.00 -1.26 -5.15 116.67 117.88 1jy2 s ASP 68 Ca 0.50 -0.34 -0.11 0.00 -0.00 0.00 0.00 52.55 52.60 1jy2 s ASP 68 Cb -0.27 -0.24 0.01 0.00 -0.00 0.00 0.00 42.92 42.43 1jy2 s ASP 68 CO 0.34 0.22 0.25 0.00 -0.00 0.00 0.00 175.17 175.97 1jy2 s ALA 69 N -0.44 -0.51 -1.39 5.23 0.00 -1.26 -4.97 121.76 118.42 1jy2 s ALA 69 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1jy2 s ALA 69 Cb -0.07 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1jy2 s ALA 69 CO -0.01 -0.38 0.00 -0.25 0.00 0.00 0.00 175.76 175.12 1jy2 n ASP 70 N 0.64 -4.74 -4.90 0.00 10.43 -1.26 -4.81 116.55 111.91 1jy2 n ASP 70 Ca -0.19 0.03 -0.28 0.00 2.57 0.00 0.00 54.79 56.92 1jy2 n ASP 70 Cb 0.59 -3.84 -0.01 0.00 1.84 0.00 0.00 41.12 39.70 1jy2 n ASP 70 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1jy2 s GLY 71 N -2.35 1.65 0.02 0.44 0.00 -1.26 -4.32 107.32 101.51 1jy2 s GLY 71 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 44.72 44.22 1jy2 s GLY 71 CO 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 173.10 172.87 1jy2 s LEU 73 N -1.78 4.12 0.56 0.00 2.96 -1.26 -0.20 118.68 123.07 1jy2 s LEU 73 Ca -0.10 0.49 -0.17 0.00 -0.22 0.00 0.00 54.13 54.13 1jy2 s LEU 73 Cb -0.05 -2.53 -0.06 0.00 0.50 0.00 0.00 46.19 44.05 1jy2 s LEU 73 CO -0.02 -0.13 1.03 -2.28 -1.32 0.00 0.00 176.35 173.63 1jy2 s HIS 74 N 1.61 3.13 0.37 5.38 5.65 -0.52 -4.96 115.29 125.95 1jy2 s HIS 74 Ca 0.19 1.51 0.16 0.00 0.25 0.00 0.00 55.06 57.17 1jy2 s HIS 74 Cb -0.15 -2.95 0.89 0.00 -1.18 0.00 0.00 32.58 29.19 1jy2 s HIS 74 CO 0.09 -0.85 1.89 0.00 -0.65 0.00 0.00 174.74 175.21 1jy2 h ALA 75 N 0.72 1.37 -2.12 1.58 0.00 -1.97 -3.41 119.26 115.44 1jy2 h ALA 75 Ca -0.47 -0.27 -0.60 0.00 0.00 0.00 0.00 54.91 53.57 1jy2 h ALA 75 Cb 1.21 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1jy2 h ALA 75 CO 0.59 0.37 0.52 0.34 0.00 0.00 0.00 179.25 181.07 1jy2 s ASP 76 N -6.75 6.67 0.57 0.00 -1.08 -1.26 -4.92 116.67 109.90 1jy2 s ASP 76 Ca -0.03 0.60 0.27 0.00 -0.52 0.00 0.00 52.55 52.88 1jy2 s ASP 76 Cb 0.14 -2.44 1.56 0.00 -1.46 0.00 0.00 42.92 40.71 1jy2 s ASP 76 CO 0.69 -0.76 2.05 1.55 0.52 0.00 0.00 175.17 179.22 1jy2 h PRO 77 N 8.33 0.00 0.00 4.34 0.13 -1.97 -1.62 132.00 141.22 1jy2 h PRO 77 Ca -0.24 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.79 1jy2 h PRO 77 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1jy2 h PRO 77 CO 0.94 0.00 -0.51 -0.44 -0.23 0.00 0.00 178.00 177.77 1jy2 h ASP 78 N 0.00 0.00 1.29 1.44 3.45 -1.94 -3.21 116.42 117.46 1jy2 h ASP 78 Ca 0.13 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.45 1jy2 h ASP 78 Cb 0.65 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.40 1jy2 h ASP 78 CO -0.00 0.51 -0.68 -0.07 -1.57 0.00 0.00 179.24 177.42 1jy2 h LEU 79 N 0.00 0.00 0.00 1.55 3.38 -1.66 -3.49 115.31 115.09 1jy2 h LEU 79 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jy2 h LEU 79 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1jy2 h LEU 79 CO 0.07 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1jy2 n GLY 80 N 1.24 0.61 3.70 0.83 0.00 -1.21 -4.72 105.19 105.65 1jy2 n GLY 80 Ca 0.01 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1jy2 n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jy2 s VAL 81 N 0.00 4.89 0.01 1.61 1.01 -1.26 -1.43 120.40 125.22 1jy2 s VAL 81 Ca 0.00 1.92 -0.08 0.00 0.00 0.00 0.00 61.98 63.82 1jy2 s VAL 81 Cb 0.00 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1jy2 s VAL 81 CO 0.00 0.14 0.29 -0.76 0.00 0.00 0.00 175.10 174.77 1jy2 s LEU 82 N 1.23 4.38 0.13 3.92 1.43 0.71 -4.92 118.68 125.57 1jy2 s LEU 82 Ca 0.48 0.63 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 1jy2 s LEU 82 Cb -0.20 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1jy2 s LEU 82 CO 0.23 0.26 -0.12 0.00 0.23 0.00 0.00 176.35 176.95 1jy2 n PRO 84 N 0.25 1.90 -1.50 0.00 -0.02 -1.26 -4.97 135.00 129.40 1jy2 n PRO 84 Ca -0.13 0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 61.73 1jy2 n PRO 84 Cb 0.58 -2.25 0.13 0.00 -0.02 0.00 0.00 33.50 31.95 1jy2 n PRO 84 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1jy2 s THR 85 N -0.57 2.24 0.55 3.45 -4.23 -1.26 -4.84 115.64 110.99 1jy2 s THR 85 Ca 0.63 0.08 0.22 0.00 -1.18 0.00 0.00 61.69 61.43 1jy2 s THR 85 Cb -0.64 -2.80 0.31 0.00 1.34 0.00 0.00 72.50 70.70 1jy2 s THR 85 CO 0.56 -0.10 2.19 1.23 -0.54 0.00 0.00 174.62 177.96 1jy2 h GLY 86 N -1.45 0.00 1.05 3.99 0.00 -1.99 -1.12 103.07 103.55 1jy2 h GLY 86 Ca -0.50 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.67 1jy2 h GLY 86 CO 0.61 0.00 -0.44 0.00 0.00 0.00 0.00 176.54 176.71 1jy2 h LYS 88 N 0.52 1.00 -0.47 0.00 1.63 -1.74 -0.80 116.57 116.71 1jy2 h LYS 88 Ca 0.02 -0.34 -0.12 0.00 -0.85 0.00 0.00 60.65 59.36 1jy2 h LYS 88 Cb 1.04 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 1jy2 h LYS 88 CO 0.10 1.02 -0.16 -0.07 -3.45 0.00 0.00 179.45 176.89 1jy2 h LEU 89 N 0.90 0.96 -0.31 5.20 3.38 -1.18 -1.55 115.31 122.70 1jy2 h LEU 89 Ca 0.15 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1jy2 h LEU 89 Cb 0.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1jy2 h LEU 89 CO 0.04 1.12 0.12 -0.61 0.09 0.00 0.00 178.44 179.20 1jy2 h GLN 90 N 0.79 0.47 -0.77 1.13 4.15 -0.86 -1.73 115.11 118.29 1jy2 h GLN 90 Ca 0.11 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 59.49 1jy2 h GLN 90 Cb 0.72 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.29 1jy2 h GLN 90 CO 0.06 0.49 0.48 0.22 -1.93 0.00 0.00 178.83 178.14 1jy2 h ASP 91 N 0.36 0.77 0.01 -0.69 -0.00 -1.03 0.73 116.42 116.57 1jy2 h ASP 91 Ca 0.10 0.01 0.01 0.00 -0.00 0.00 0.00 57.03 57.15 1jy2 h ASP 91 Cb 0.19 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.36 1jy2 h ASP 91 CO -0.01 0.52 -0.04 0.74 -0.00 0.00 0.00 179.24 180.45 1jy2 h THR 92 N 0.91 0.89 -0.60 2.25 2.02 -1.04 -1.71 112.91 115.63 1jy2 h THR 92 Ca 0.32 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.45 1jy2 h THR 92 Cb 0.08 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1jy2 h THR 92 CO -0.14 0.00 0.16 -0.07 0.37 0.00 0.00 175.52 175.84 1jy2 h LEU 93 N -0.08 0.90 -1.07 2.58 3.38 -0.83 -0.65 115.31 119.53 1jy2 h LEU 93 Ca 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1jy2 h LEU 93 Cb 0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1jy2 h LEU 93 CO -0.04 0.89 0.24 0.58 0.09 0.00 0.00 178.44 180.20 1jy2 h VAL 94 N 0.87 1.22 -0.06 1.22 2.07 -0.74 -0.79 116.25 120.04 1jy2 h VAL 94 Ca 0.19 -0.70 -0.20 0.00 0.82 0.00 0.00 66.70 66.81 1jy2 h VAL 94 Cb 0.34 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1jy2 h VAL 94 CO -0.00 0.28 -0.80 0.03 0.02 0.00 0.00 177.57 177.10 1jy2 h ARG 95 N 0.88 0.42 -0.04 1.57 3.08 -1.12 -3.29 114.38 115.89 1jy2 h ARG 95 Ca 0.21 -0.38 -0.22 0.00 0.07 0.00 0.00 59.98 59.66 1jy2 h ARG 95 Cb 0.18 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1jy2 h ARG 95 CO -0.02 1.03 -0.88 1.96 -1.07 0.00 0.00 179.97 180.99 1jy2 h GLN 96 N 0.27 0.49 -0.65 0.04 4.20 -0.78 -3.33 115.11 115.35 1jy2 h GLN 96 Ca -0.05 -0.48 -0.05 0.00 0.06 0.00 0.00 58.65 58.14 1jy2 h GLN 96 Cb 1.40 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.27 1jy2 h GLN 96 CO 0.14 1.12 0.21 1.49 -0.67 0.00 0.00 178.83 181.11 1jy2 h GLU 97 N 0.30 0.98 0.26 1.46 4.81 -1.25 -3.07 114.58 118.08 1jy2 h GLU 97 Ca -0.07 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1jy2 h GLU 97 Cb 1.50 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 1jy2 h GLU 97 CO 0.16 0.84 -0.23 0.00 -0.73 0.00 0.00 179.01 179.05 1jy2 h ARG 98 N 0.95 -0.48 0.00 1.92 3.08 -1.67 -0.63 114.38 117.55 1jy2 h ARG 98 Ca 0.21 0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 1jy2 h ARG 98 Cb 0.27 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1jy2 h ARG 98 CO -0.01 -0.32 -0.42 -1.00 -1.07 0.00 0.00 179.97 177.15 1jy2 h PRO 99 N -0.50 0.00 -0.16 0.04 0.13 -1.73 -1.46 132.00 128.31 1jy2 h PRO 99 Ca -0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 1jy2 h PRO 99 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1jy2 h PRO 99 CO -0.03 0.42 -0.03 0.82 -0.23 0.00 0.00 178.00 178.95 1jy2 h ILE 100 N 0.00 1.28 -0.76 -3.56 1.08 -1.39 -0.17 117.51 113.99 1jy2 h ILE 100 Ca -0.00 -0.97 -0.05 0.00 -0.39 0.00 0.00 64.86 63.45 1jy2 h ILE 100 Cb 0.81 1.59 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 1jy2 h ILE 100 CO 0.05 0.29 0.28 0.03 -0.69 0.00 0.00 178.15 178.11 1jy2 h ARG 101 N 0.02 1.14 -0.65 2.37 2.47 -0.99 -2.00 114.38 116.74 1jy2 h ARG 101 Ca 0.04 -0.22 -0.04 0.00 -1.26 0.00 0.00 59.98 58.50 1jy2 h ARG 101 Cb 0.45 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 1jy2 h ARG 101 CO 0.01 0.94 0.24 -0.22 0.56 0.00 0.00 179.97 181.51 1jy2 h LYS 102 N 1.11 0.99 -0.79 0.04 1.63 -1.15 -1.63 116.57 116.76 1jy2 h LYS 102 Ca 0.25 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1jy2 h LYS 102 Cb 0.25 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 1jy2 h LYS 102 CO -0.02 0.84 0.45 0.77 -3.45 0.00 0.00 179.45 178.05 1jy2 h SER 103 N 0.93 0.96 -0.44 4.20 0.02 -0.69 -0.23 113.55 118.30 1jy2 h SER 103 Ca 0.21 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 1jy2 h SER 103 Cb 0.24 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1jy2 h SER 103 CO -0.01 0.76 -0.14 0.40 -1.14 0.00 0.00 176.83 176.69 1jy2 h ILE 104 N 1.09 1.27 -0.86 3.27 2.04 -1.03 -0.03 117.51 123.27 1jy2 h ILE 104 Ca 0.28 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1jy2 h ILE 104 Cb -0.01 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1jy2 h ILE 104 CO -0.05 0.43 0.49 -0.33 0.00 0.00 0.00 178.15 178.70 1jy2 h GLU 105 N 0.71 1.19 -0.46 2.37 5.08 -0.77 -1.18 114.58 121.51 1jy2 h GLU 105 Ca 0.11 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1jy2 h GLU 105 Cb 0.69 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1jy2 h GLU 105 CO 0.05 0.86 -0.20 -0.44 -1.00 0.00 0.00 179.01 178.28 1jy2 h ASP 106 N 1.20 0.94 -0.84 1.42 3.32 -0.85 -2.62 116.42 118.98 1jy2 h ASP 106 Ca 0.31 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1jy2 h ASP 106 Cb -0.00 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 1jy2 h ASP 106 CO -0.05 1.11 0.39 -0.07 -1.72 0.00 0.00 179.24 178.89 1jy2 h LEU 107 N 0.80 1.12 -0.49 1.55 3.38 -0.57 -0.73 115.31 120.36 1jy2 h LEU 107 Ca 0.11 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jy2 h LEU 107 Cb 0.75 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1jy2 h LEU 107 CO 0.06 0.95 0.31 0.03 0.09 0.00 0.00 178.44 179.88 1jy2 h ARG 108 N 1.21 0.61 -0.81 1.13 3.08 -1.04 -0.16 114.38 118.39 1jy2 h ARG 108 Ca 0.29 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1jy2 h ARG 108 Cb 0.15 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1jy2 h ARG 108 CO -0.03 0.40 0.42 -0.91 -1.07 0.00 0.00 179.97 178.78 1jy2 h ASN 109 N 0.63 1.03 -0.39 7.04 2.35 -1.05 -2.78 115.58 122.41 1jy2 h ASN 109 Ca 0.19 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1jy2 h ASN 109 Cb -0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1jy2 h ASN 109 CO -0.06 0.84 0.04 0.74 -1.65 0.00 0.00 177.43 177.34 1jy2 h THR 110 N 1.14 1.25 -0.48 2.81 2.02 -0.51 -2.15 112.91 116.99 1jy2 h THR 110 Ca 0.28 -0.93 0.05 0.00 0.77 0.00 0.00 66.41 66.59 1jy2 h THR 110 Cb 0.06 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1jy2 h THR 110 CO -0.04 0.31 0.23 0.58 0.37 0.00 0.00 175.52 176.97 1jy2 h VAL 111 N 0.50 0.93 0.00 3.16 2.07 -0.89 0.60 116.25 122.62 1jy2 h VAL 111 Ca 0.12 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 1jy2 h VAL 111 Cb 0.41 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1jy2 h VAL 111 CO 0.01 0.08 -0.47 0.44 0.02 0.00 0.00 177.57 177.65 1jy2 h ASP 112 N 0.44 0.00 0.12 0.57 3.32 -1.45 -2.14 116.42 117.28 1jy2 h ASP 112 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1jy2 h ASP 112 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1jy2 h ASP 112 CO -0.17 0.47 -0.10 -1.54 -1.72 0.00 0.00 179.24 176.19 1jy2 n SER 113 N -3.64 1.10 -0.48 6.45 3.41 -0.81 -5.13 113.62 114.52 1jy2 n SER 113 Ca -0.01 -1.14 0.14 0.00 -0.26 0.00 0.00 58.87 57.60 1jy2 n SER 113 Cb 0.55 0.03 0.53 0.00 -0.26 0.00 0.00 64.21 65.06 1jy2 n SER 113 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40