#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 4.49 0.14 2.89 -2.85 -1.26 -4.91 119.74 118.24 1jy2 s LYS 65 Ca 0.00 1.99 -0.35 0.00 -1.00 0.00 0.00 55.97 56.61 1jy2 s LYS 65 Cb 0.00 -3.16 -0.15 0.00 -2.06 0.00 0.00 37.83 32.46 1jy2 s LYS 65 CO 0.00 -0.03 1.44 -2.30 0.10 0.00 0.00 175.35 174.56 1jy2 n PRO 66 N 1.43 1.66 -2.45 1.78 -0.02 -1.26 -4.91 135.00 131.23 1jy2 n PRO 66 Ca 0.01 0.60 -0.38 0.00 -2.02 0.00 0.00 63.50 61.70 1jy2 n PRO 66 Cb 0.43 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 1jy2 n PRO 66 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1jy2 s PRO 67 N 0.54 4.30 -0.03 0.52 0.04 -1.26 -5.07 135.00 134.04 1jy2 s PRO 67 Ca 0.80 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.59 1jy2 s PRO 67 Cb -0.80 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 1jy2 s PRO 67 CO 0.43 -0.07 -0.17 -0.51 0.04 0.00 0.00 177.00 176.72 1jy2 s ASP 68 N -1.20 2.07 0.02 6.66 1.01 -1.26 -5.15 116.67 118.81 1jy2 s ASP 68 Ca 0.53 -0.33 -0.08 0.00 0.71 0.00 0.00 52.55 53.38 1jy2 s ASP 68 Cb -0.28 -0.40 0.00 0.00 1.01 0.00 0.00 42.92 43.26 1jy2 s ASP 68 CO 0.35 0.18 0.15 0.00 0.21 0.00 0.00 175.17 176.07 1jy2 s ALA 69 N -0.19 -0.31 -1.31 5.23 0.00 -1.26 -4.95 121.76 118.97 1jy2 s ALA 69 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1jy2 s ALA 69 Cb -0.09 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1jy2 s ALA 69 CO 0.01 -0.26 0.00 -0.25 0.00 0.00 0.00 175.76 175.25 1jy2 n ASP 70 N 1.16 -4.45 -4.90 0.00 8.00 -1.26 -4.82 116.55 110.28 1jy2 n ASP 70 Ca -0.21 0.11 -0.28 0.00 0.71 0.00 0.00 54.79 55.12 1jy2 n ASP 70 Cb 0.57 -3.47 0.02 0.00 -0.02 0.00 0.00 41.12 38.22 1jy2 n ASP 70 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1jy2 s GLY 71 N -2.54 1.58 0.00 0.44 0.00 -1.26 -4.43 107.32 101.11 1jy2 s GLY 71 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 44.72 44.22 1jy2 s GLY 71 CO 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 173.10 172.98 1jy2 s LEU 73 N -1.31 4.13 0.29 0.00 2.96 -1.26 -0.69 118.68 122.79 1jy2 s LEU 73 Ca -0.14 0.49 -0.26 0.00 -0.22 0.00 0.00 54.13 54.00 1jy2 s LEU 73 Cb -0.08 -2.52 -0.09 0.00 0.50 0.00 0.00 46.19 44.00 1jy2 s LEU 73 CO 0.01 -0.12 0.90 -2.28 -1.32 0.00 0.00 176.35 173.55 1jy2 s HIS 74 N 1.53 3.75 0.49 5.38 5.65 -0.49 -4.95 115.29 126.65 1jy2 s HIS 74 Ca 0.19 1.75 0.26 0.00 0.25 0.00 0.00 55.06 57.50 1jy2 s HIS 74 Cb -0.15 -2.88 1.51 0.00 -1.18 0.00 0.00 32.58 29.88 1jy2 s HIS 74 CO 0.08 0.29 2.13 0.00 -0.65 0.00 0.00 174.74 176.60 1jy2 h ALA 75 N 3.45 1.48 -2.10 1.58 0.00 -1.97 -3.40 119.26 118.30 1jy2 h ALA 75 Ca -0.47 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 53.78 1jy2 h ALA 75 Cb 1.19 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1jy2 h ALA 75 CO 0.66 0.10 0.59 0.34 0.00 0.00 0.00 179.25 180.93 1jy2 s ASP 76 N -6.34 6.74 0.59 0.00 3.68 -1.26 -4.93 116.67 115.15 1jy2 s ASP 76 Ca -0.04 0.74 0.30 0.00 2.13 0.00 0.00 52.55 55.67 1jy2 s ASP 76 Cb 0.15 -2.46 1.80 0.00 -1.45 0.00 0.00 42.92 40.95 1jy2 s ASP 76 CO 0.59 -0.77 2.22 1.55 0.13 0.00 0.00 175.17 178.90 1jy2 h PRO 77 N 8.23 0.00 -0.06 4.34 0.13 -1.96 -1.53 132.00 141.15 1jy2 h PRO 77 Ca -0.23 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 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1jy2 h PRO 77 CO 0.96 0.00 -0.47 -0.44 -0.23 0.00 0.00 178.00 177.81 1jy2 h ASP 78 N 0.00 0.16 0.44 1.44 3.45 -1.93 -3.10 116.42 116.87 1jy2 h ASP 78 Ca 0.02 -0.07 -0.31 0.00 0.43 0.00 0.00 57.03 57.10 1jy2 h ASP 78 Cb 0.11 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1jy2 h ASP 78 CO -0.00 0.62 -1.49 -0.07 -1.57 0.00 0.00 179.24 176.73 1jy2 h LEU 79 N 0.12 0.49 0.00 1.55 3.38 -1.66 -3.49 115.31 115.70 1jy2 h LEU 79 Ca 0.01 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1jy2 h LEU 79 Cb 0.89 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1jy2 h LEU 79 CO 0.07 1.50 0.00 0.61 0.09 0.00 0.00 178.44 180.71 1jy2 n GLY 80 N 1.67 2.14 3.71 0.83 0.00 -0.82 -4.69 105.19 108.02 1jy2 n GLY 80 Ca -0.16 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 4.33 -0.11 1.61 1.01 -1.26 -1.40 120.40 124.59 1jy2 s VAL 81 Ca 0.00 1.67 -0.05 0.00 0.00 0.00 0.00 61.98 63.60 1jy2 s VAL 81 Cb 0.00 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1jy2 s VAL 81 CO 0.00 0.11 0.09 -0.76 0.00 0.00 0.00 175.10 174.54 1jy2 s LEU 82 N 1.25 4.10 0.17 3.92 1.43 0.13 -4.95 118.68 124.74 1jy2 s LEU 82 Ca 0.56 0.35 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 1jy2 s LEU 82 Cb -0.26 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1jy2 s LEU 82 CO 0.27 0.40 -0.17 0.00 0.23 0.00 0.00 176.35 177.08 1jy2 n PRO 84 N 0.14 1.77 -1.74 0.00 -0.02 -1.26 -4.97 135.00 128.91 1jy2 n PRO 84 Ca -0.12 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 61.69 1jy2 n PRO 84 Cb 0.58 -2.12 0.09 0.00 -0.02 0.00 0.00 33.50 32.03 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 -0.99 2.68 0.51 3.45 -4.23 -1.26 -4.84 115.64 110.95 1jy2 s THR 85 Ca 0.58 0.22 0.17 0.00 -1.18 0.00 0.00 61.69 61.48 1jy2 s THR 85 Cb -0.64 -3.11 0.26 0.00 1.34 0.00 0.00 72.50 70.35 1jy2 s THR 85 CO 0.60 -0.29 2.12 1.23 -0.54 0.00 0.00 174.62 177.75 1jy2 h GLY 86 N -1.03 0.00 1.00 3.99 0.00 -1.99 -0.76 103.07 104.28 1jy2 h GLY 86 Ca -0.47 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1jy2 h GLY 86 CO 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 177.08 1jy2 h LYS 88 N 0.66 0.94 -0.55 0.00 3.64 -1.73 -1.76 116.57 117.77 1jy2 h LYS 88 Ca 0.11 -0.40 -0.11 0.00 -1.27 0.00 0.00 60.65 58.98 1jy2 h LYS 88 Cb 0.62 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1jy2 h LYS 88 CO 0.04 1.06 -0.08 -0.07 -2.27 0.00 0.00 179.45 178.13 1jy2 h LEU 89 N 0.81 1.02 -0.62 5.20 3.38 -1.08 -1.79 115.31 122.23 1jy2 h LEU 89 Ca 0.11 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1jy2 h LEU 89 Cb 0.79 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1jy2 h LEU 89 CO 0.07 1.12 0.32 -0.61 0.09 0.00 0.00 178.44 179.43 1jy2 h GLN 90 N 0.90 0.88 -0.53 1.13 4.15 -0.91 -1.30 115.11 119.43 1jy2 h GLN 90 Ca 0.15 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.46 1jy2 h GLN 90 Cb 0.65 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 1jy2 h GLN 90 CO 0.04 0.68 0.35 0.22 -1.93 0.00 0.00 178.83 178.19 1jy2 h ASP 91 N 0.85 0.59 -0.31 -0.69 1.82 -1.13 -0.18 116.42 117.36 1jy2 h ASP 91 Ca 0.22 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1jy2 h ASP 91 Cb 0.07 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 1jy2 h ASP 91 CO -0.03 0.42 0.18 0.74 -1.61 0.00 0.00 179.24 178.94 1jy2 h THR 92 N 0.70 1.12 -0.52 2.25 2.02 -1.03 -1.89 112.91 115.57 1jy2 h THR 92 Ca 0.20 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1jy2 h THR 92 Cb -0.06 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1jy2 h THR 92 CO -0.06 0.12 0.22 -0.07 0.37 0.00 0.00 175.52 176.11 1jy2 h LEU 93 N 0.39 0.70 -0.65 2.58 3.38 -0.81 0.73 115.31 121.63 1jy2 h LEU 93 Ca 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1jy2 h LEU 93 Cb 0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1jy2 h LEU 93 CO -0.02 0.66 0.33 0.58 0.09 0.00 0.00 178.44 180.08 1jy2 h VAL 94 N 0.69 1.22 -0.39 1.22 2.07 -0.95 -0.81 116.25 119.30 1jy2 h VAL 94 Ca 0.17 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 66.96 1jy2 h VAL 94 Cb 0.17 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1jy2 h VAL 94 CO -0.02 0.25 -0.35 0.03 0.02 0.00 0.00 177.57 177.49 1jy2 h ARG 95 N 0.89 0.92 -0.32 1.57 3.08 -1.15 -3.16 114.38 116.21 1jy2 h ARG 95 Ca 0.23 -0.46 -0.14 0.00 0.07 0.00 0.00 59.98 59.67 1jy2 h ARG 95 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1jy2 h ARG 95 CO -0.03 1.12 -0.38 1.96 -1.07 0.00 0.00 179.97 181.57 1jy2 h GLN 96 N 0.76 0.75 -0.72 0.04 4.20 -0.61 -3.21 115.11 116.32 1jy2 h GLN 96 Ca 0.07 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1jy2 h GLN 96 Cb 0.94 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 1jy2 h GLN 96 CO 0.09 1.00 0.44 1.49 -0.67 0.00 0.00 178.83 181.18 1jy2 h GLU 97 N 0.62 0.96 0.27 1.46 4.81 -1.16 -3.25 114.58 118.30 1jy2 h GLU 97 Ca 0.06 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1jy2 h GLU 97 Cb 0.92 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 1jy2 h GLU 97 CO 0.08 0.67 -0.50 0.00 -0.73 0.00 0.00 179.01 178.53 1jy2 h ARG 98 N 0.98 -0.81 0.00 1.92 3.08 -1.55 -0.40 114.38 117.61 1jy2 h ARG 98 Ca 0.26 0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.29 1jy2 h ARG 98 Cb -0.05 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1jy2 h ARG 98 CO -0.05 -0.54 -0.33 -1.00 -1.07 0.00 0.00 179.97 176.99 1jy2 h PRO 99 N -0.84 0.00 0.02 0.04 0.13 -1.73 -2.17 132.00 127.45 1jy2 h PRO 99 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1jy2 h PRO 99 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1jy2 h PRO 99 CO -0.19 0.33 -0.01 0.82 -0.23 0.00 0.00 178.00 178.72 1jy2 h ILE 100 N 0.00 1.20 -0.61 -3.56 1.08 -1.53 0.58 117.51 114.67 1jy2 h ILE 100 Ca -0.00 -0.66 -0.03 0.00 -0.39 0.00 0.00 64.86 63.77 1jy2 h ILE 100 Cb 0.73 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 36.10 1jy2 h ILE 100 CO 0.04 0.17 0.25 0.03 -0.69 0.00 0.00 178.15 177.95 1jy2 h ARG 101 N -0.31 0.90 -0.27 2.37 2.47 -1.00 -1.20 114.38 117.34 1jy2 h ARG 101 Ca -0.00 -0.16 -0.11 0.00 -1.26 0.00 0.00 59.98 58.45 1jy2 h ARG 101 Cb 0.30 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1jy2 h ARG 101 CO 0.00 0.77 -0.27 0.87 0.56 0.00 0.00 179.97 181.90 1jy2 h LYS 102 N 0.84 0.55 -0.47 0.04 1.57 -1.37 -1.60 116.57 116.13 1jy2 h LYS 102 Ca 0.20 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1jy2 h LYS 102 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1jy2 h LYS 102 CO -0.02 0.77 -0.16 0.77 -0.57 0.00 0.00 179.45 180.25 1jy2 h SER 103 N 0.48 0.95 -0.34 0.86 0.02 -0.57 -1.83 113.55 113.12 1jy2 h SER 103 Ca 0.06 -0.38 -0.13 0.00 -0.84 0.00 0.00 61.79 60.51 1jy2 h SER 103 Cb 0.72 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1jy2 h SER 103 CO 0.06 1.11 -0.27 0.40 -1.14 0.00 0.00 176.83 176.99 1jy2 h ILE 104 N 0.78 1.27 -0.73 3.27 2.04 -1.07 -1.36 117.51 121.71 1jy2 h ILE 104 Ca 0.11 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.49 1jy2 h ILE 104 Cb 0.72 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1jy2 h ILE 104 CO 0.05 0.48 0.20 -0.08 0.00 0.00 0.00 178.15 178.80 1jy2 h GLU 105 N 0.73 1.15 -0.48 2.37 4.57 -1.19 0.03 114.58 121.76 1jy2 h GLU 105 Ca 0.09 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1jy2 h GLU 105 Cb 0.82 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 1jy2 h GLU 105 CO 0.07 0.99 0.31 0.22 -1.18 0.00 0.00 179.01 179.42 1jy2 h ASP 106 N 1.09 0.57 -0.47 1.04 3.58 -0.98 0.91 116.42 122.16 1jy2 h ASP 106 Ca 0.23 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 1jy2 h ASP 106 Cb 0.35 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 1jy2 h ASP 106 CO -0.00 0.43 0.15 -0.07 -2.88 0.00 0.00 179.24 176.87 1jy2 h LEU 107 N 0.65 0.67 -0.66 2.28 3.38 -0.86 -1.92 115.31 118.85 1jy2 h LEU 107 Ca 0.18 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jy2 h LEU 107 Cb -0.05 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1jy2 h LEU 107 CO -0.04 0.69 0.44 -0.09 0.09 0.00 0.00 178.44 179.53 1jy2 h ARG 108 N 0.62 0.87 -0.28 1.13 2.43 -0.64 0.64 114.38 119.14 1jy2 h ARG 108 Ca 0.15 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1jy2 h ARG 108 Cb 0.25 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1jy2 h ARG 108 CO -0.01 0.58 -0.03 -0.91 -1.51 0.00 0.00 179.97 178.10 1jy2 h ASN 109 N 0.90 0.40 -0.07 -3.80 2.35 -0.57 0.13 115.58 114.91 1jy2 h ASN 109 Ca 0.24 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1jy2 h ASN 109 Cb -0.10 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1jy2 h ASN 109 CO -0.05 0.49 -0.37 0.74 -1.65 0.00 0.00 177.43 176.59 1jy2 h THR 110 N 0.42 1.41 -0.31 2.81 2.02 -0.59 -2.80 112.91 115.87 1jy2 h THR 110 Ca 0.09 -1.76 -0.06 0.00 0.77 0.00 0.00 66.41 65.45 1jy2 h THR 110 Cb 0.32 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1jy2 h THR 110 CO 0.01 0.51 -0.06 0.58 0.37 0.00 0.00 175.52 176.93 1jy2 h VAL 111 N -0.09 1.21 -0.03 3.16 2.07 -0.64 -2.44 116.25 119.47 1jy2 h VAL 111 Ca -0.02 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1jy2 h VAL 111 Cb 1.02 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1jy2 h VAL 111 CO 0.08 0.30 0.00 0.47 0.02 0.00 0.00 177.57 178.43 1jy2 n ASP 112 N -4.24 0.74 -0.87 0.57 8.00 0.42 -5.09 116.55 116.08 1jy2 n ASP 112 Ca 0.01 -1.36 0.12 0.00 0.71 0.00 0.00 54.79 54.28 1jy2 n ASP 112 Cb 0.28 -0.02 0.18 0.00 -0.02 0.00 0.00 41.12 41.54 1jy2 n ASP 112 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27