#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xv3 s SER 2 N 0.00 4.72 -0.11 0.26 0.15 -1.26 -5.02 113.70 112.43 1xv3 s SER 2 Ca 0.00 2.21 -0.01 0.00 0.70 0.00 0.00 55.95 58.84 1xv3 s SER 2 Cb 0.00 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1xv3 s SER 2 CO 0.00 -1.90 -0.05 -0.55 1.20 0.00 0.00 173.24 171.94 1xv3 s SER 3 N -2.20 4.74 -0.85 5.45 0.15 -1.26 -5.04 113.70 114.69 1xv3 s SER 3 Ca 0.72 -0.06 -0.25 0.00 0.70 0.00 0.00 55.95 57.05 1xv3 s SER 3 Cb -0.25 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 1xv3 s SER 3 CO 0.42 0.27 1.64 -0.83 1.20 0.00 0.00 173.24 175.93 1xv3 s GLY 4 N -0.26 0.67 0.61 9.45 0.00 -1.26 -4.97 107.32 111.55 1xv3 s GLY 4 Ca 0.04 -1.55 -0.17 0.00 0.00 0.00 0.00 44.72 43.04 1xv3 s GLY 4 CO 0.02 3.05 1.15 -0.47 0.00 0.00 0.00 173.10 176.85 1xv3 s TYR 5 N 7.39 2.54 -0.03 1.90 5.04 -1.26 -4.98 117.35 127.94 1xv3 s TYR 5 Ca 0.55 1.55 -0.30 0.00 -2.44 0.00 0.00 57.07 56.42 1xv3 s TYR 5 Cb -0.06 -3.30 -0.02 0.00 0.35 0.00 0.00 41.96 38.92 1xv3 s TYR 5 CO 0.04 -1.84 1.00 0.99 -1.34 0.00 0.00 175.55 174.40 1xv3 s THR 6 N -1.95 4.79 -0.13 4.34 2.01 -1.26 -4.96 115.64 118.49 1xv3 s THR 6 Ca 0.72 2.02 -0.31 0.00 0.31 0.00 0.00 61.69 64.43 1xv3 s THR 6 Cb -0.24 -4.30 -0.09 0.00 0.01 0.00 0.00 72.50 67.88 1xv3 s THR 6 CO 0.35 0.10 2.06 -2.11 -0.69 0.00 0.00 174.62 174.33 1xv3 n ARG 7 N 4.31 2.16 -2.49 4.92 1.85 -1.26 -4.94 116.66 121.21 1xv3 n ARG 7 Ca 0.07 0.72 -0.35 0.00 -1.00 0.00 0.00 57.85 57.29 1xv3 n ARG 7 Cb 0.50 -2.92 -0.03 0.00 -1.05 0.00 0.00 32.46 28.96 1xv3 n ARG 7 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1xv3 s PRO 8 N 5.22 3.79 0.77 2.89 0.04 -1.26 -5.05 135.00 141.40 1xv3 s PRO 8 Ca 0.97 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 1xv3 s PRO 8 Cb -0.53 -2.16 0.06 0.00 0.04 0.00 0.00 34.50 31.92 1xv3 s PRO 8 CO 0.43 -0.46 1.14 -0.51 0.04 0.00 0.00 177.00 177.65 1xv3 s LEU 9 N -3.39 2.64 0.46 -3.56 2.01 -1.26 -4.92 118.68 110.66 1xv3 s LEU 9 Ca 0.67 0.86 0.00 0.00 0.01 0.00 0.00 54.13 55.67 1xv3 s LEU 9 Cb -0.19 -3.45 0.00 0.00 0.01 0.00 0.00 46.19 42.56 1xv3 s LEU 9 CO 0.23 -1.72 0.00 -1.14 1.01 0.00 0.00 176.35 174.72 1xv3 n ARG 10 N -3.20 -2.46 -1.68 1.70 0.63 -1.26 -4.83 116.66 105.56 1xv3 n ARG 10 Ca 0.08 2.01 -0.38 0.00 -0.92 0.00 0.00 57.85 58.64 1xv3 n ARG 10 Cb 0.60 -2.87 0.05 0.00 0.45 0.00 0.00 32.46 30.69 1xv3 n ARG 10 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1xv3 n LYS 11 N -3.72 1.22 0.00 -0.14 2.85 -1.26 -5.01 118.16 112.10 1xv3 n LYS 11 Ca -0.07 0.46 0.00 0.00 -1.05 0.00 0.00 58.31 57.65 1xv3 n LYS 11 Cb 0.50 -2.38 0.00 0.00 -0.65 0.00 0.00 35.03 32.51 1xv3 n LYS 11 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1xv3 n PRO 12 N -1.17 0.96 -1.02 -1.58 -0.04 -1.26 -5.02 135.00 125.88 1xv3 n PRO 12 Ca 0.13 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.30 1xv3 n PRO 12 Cb 0.46 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 34.09 1xv3 n PRO 12 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1xv3 s SER 13 N -1.28 2.72 0.75 3.54 0.01 -1.26 -4.97 113.70 113.22 1xv3 s SER 13 Ca 0.00 1.49 -0.15 0.00 1.31 0.00 0.00 55.95 58.60 1xv3 s SER 13 Cb 0.00 -2.16 0.05 0.00 0.21 0.00 0.00 66.02 64.12 1xv3 s SER 13 CO 0.00 -3.11 1.24 -2.11 0.41 0.00 0.00 173.24 169.66 1xv3 n ARG 14 N -4.19 0.50 -2.11 12.44 -4.01 -1.26 -4.96 116.66 113.07 1xv3 n ARG 14 Ca 0.06 0.24 -0.34 0.00 -1.04 0.00 0.00 57.85 56.78 1xv3 n ARG 14 Cb 0.55 -2.47 0.01 0.00 -3.04 0.00 0.00 32.46 27.51 1xv3 n ARG 14 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1xv3 s PRO 15 N -3.86 3.24 0.35 2.89 0.04 -1.26 -5.06 135.00 131.34 1xv3 s PRO 15 Ca 0.77 1.45 0.06 0.00 0.04 0.00 0.00 61.00 63.31 1xv3 s PRO 15 Cb -0.32 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1xv3 s PRO 15 CO 0.47 -0.91 0.23 0.96 0.04 0.00 0.00 177.00 177.80 1xv3 s ILE 16 N -2.08 0.14 1.20 0.56 -4.36 -1.26 -5.16 121.20 110.25 1xv3 s ILE 16 Ca 0.69 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.91 1xv3 s ILE 16 Cb -0.21 -2.45 0.29 0.00 1.25 0.00 0.00 42.46 41.34 1xv3 s ILE 16 CO 0.32 0.00 1.03 -0.36 0.24 0.00 0.00 174.94 176.17 1xv3 s PHE 17 N -3.42 0.89 1.07 1.37 0.08 -1.26 -4.99 117.98 111.71 1xv3 s PHE 17 Ca 0.36 0.84 -0.13 0.00 0.12 0.00 0.00 56.93 58.12 1xv3 s PHE 17 Cb 0.03 -3.16 0.23 0.00 -0.57 0.00 0.00 43.02 39.54 1xv3 s PHE 17 CO 0.24 -3.94 1.07 0.96 -0.10 0.00 0.00 175.22 173.44 1xv3 s ILE 18 N -2.65 2.01 0.44 0.64 -4.36 -1.26 -5.00 121.20 111.02 1xv3 s ILE 18 Ca 0.68 0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 60.90 1xv3 s ILE 18 Cb -0.18 -2.36 -0.09 0.00 1.25 0.00 0.00 42.46 41.09 1xv3 s ILE 18 CO 0.60 -0.00 0.91 0.00 0.24 0.00 0.00 174.94 176.68 1xv3 s ARG 19 N -4.80 4.05 0.97 0.37 3.03 -1.26 -5.05 118.95 116.26 1xv3 s ARG 19 Ca 0.66 0.93 -0.12 0.00 2.03 0.00 0.00 55.73 59.23 1xv3 s ARG 19 Cb -0.21 -2.23 0.17 0.00 -1.03 0.00 0.00 34.95 31.66 1xv3 s ARG 19 CO 0.60 -0.08 1.09 -1.25 -1.13 0.00 0.00 175.30 174.53 1xv3 s PRO 20 N -3.51 0.63 0.71 3.89 0.04 -1.26 -5.04 135.00 130.46 1xv3 s PRO 20 Ca 0.59 0.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.17 1xv3 s PRO 20 Cb -0.10 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1xv3 s PRO 20 CO 0.22 -2.63 1.07 0.42 0.04 0.00 0.00 177.00 176.12 1xv3 s ILE 21 N -2.92 3.09 0.00 0.56 1.01 -1.26 -4.39 121.20 117.28 1xv3 s ILE 21 Ca 0.65 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1xv3 s ILE 21 Cb -0.19 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1xv3 s ILE 21 CO 0.58 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1xv3 n GLY 22 N -2.99 2.66 0.21 6.18 0.00 -1.26 -4.75 105.19 105.24 1xv3 n GLY 22 Ca 0.07 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.45 1xv3 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xv3 n ASP 24 N -4.09 0.90 -3.17 0.00 2.03 -1.26 -4.05 116.55 106.90 1xv3 n ASP 24 Ca -0.02 -2.03 -0.21 0.00 0.52 0.00 0.00 54.79 53.05 1xv3 n ASP 24 Cb 0.34 -0.16 -0.04 0.00 -0.72 0.00 0.00 41.12 40.53 1xv3 n ASP 24 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1xv3 n VAL 25 N -0.07 0.14 0.16 5.18 0.31 -0.74 -4.94 118.33 118.37 1xv3 n VAL 25 Ca 0.05 -4.57 0.17 0.00 -0.01 0.00 0.00 64.34 59.98 1xv3 n VAL 25 Cb 0.16 -0.91 0.64 0.00 -0.91 0.00 0.00 33.84 32.82 1xv3 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xv3 s TYR 27 N -4.34 3.14 0.00 0.00 2.02 -1.26 -4.42 117.35 112.49 1xv3 s TYR 27 Ca -0.03 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 1xv3 s TYR 27 Cb 0.11 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.57 1xv3 s TYR 27 CO 0.38 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.70 1xv3 n GLY 28 N 4.02 2.13 3.90 0.71 0.00 -1.26 -5.09 105.19 109.59 1xv3 n GLY 28 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1xv3 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xv3 s ILE 29 N -2.12 4.86 0.66 -0.61 -4.36 -1.26 -5.06 121.20 113.31 1xv3 s ILE 29 Ca 0.00 0.30 -0.13 0.00 -0.26 0.00 0.00 60.65 60.56 1xv3 s ILE 29 Cb 0.00 -3.86 -0.01 0.00 1.25 0.00 0.00 42.46 39.84 1xv3 s ILE 29 CO 0.00 -0.89 1.06 -2.16 0.24 0.00 0.00 174.94 173.19 1xv3 s PRO 30 N -4.81 3.05 0.25 0.37 0.04 -1.26 -4.83 135.00 127.81 1xv3 s PRO 30 Ca 0.49 1.07 -0.06 0.00 0.04 0.00 0.00 61.00 62.54 1xv3 s PRO 30 Cb -0.10 -2.00 0.28 0.00 0.04 0.00 0.00 34.50 32.71 1xv3 s PRO 30 CO 0.46 -1.02 1.91 1.03 0.04 0.00 0.00 177.00 179.43 1xv3 h SER 31 N -0.27 1.10 -0.53 6.66 0.87 -1.97 0.76 113.55 120.17 1xv3 h SER 31 Ca -0.45 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1xv3 h SER 31 Cb 1.22 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.88 1xv3 h SER 31 CO 0.57 0.78 0.34 -1.28 -0.53 0.00 0.00 176.83 176.71 1xv3 h SER 32 N 1.29 0.58 -0.43 6.23 0.87 -1.99 0.52 113.55 120.63 1xv3 h SER 32 Ca 0.37 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.80 1xv3 h SER 32 Cb -0.09 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1xv3 h SER 32 CO -0.10 0.42 -0.22 0.74 -0.53 0.00 0.00 176.83 177.14 1xv3 h THR 33 N 0.69 1.28 -0.68 2.23 2.02 -1.82 -2.47 112.91 114.16 1xv3 h THR 33 Ca 0.20 -1.37 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 1xv3 h THR 33 Cb -0.05 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1xv3 h THR 33 CO -0.06 0.46 0.25 0.00 0.37 0.00 0.00 175.52 176.55 1xv3 h ALA 34 N 0.83 1.17 -0.41 6.16 0.00 -0.27 -0.10 119.26 126.63 1xv3 h ALA 34 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xv3 h ALA 34 Cb 0.78 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1xv3 h ALA 34 CO 0.06 0.59 0.23 -0.09 0.00 0.00 0.00 179.25 180.04 1xv3 h ARG 35 N 0.98 0.57 -0.37 0.00 9.65 0.23 0.64 114.38 126.08 1xv3 h ARG 35 Ca 0.23 -0.07 -0.09 0.00 -1.10 0.00 0.00 59.98 58.95 1xv3 h ARG 35 Cb 0.22 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 1xv3 h ARG 35 CO -0.02 0.46 -0.14 1.25 2.80 0.00 0.00 179.97 184.32 1xv3 h LEU 36 N 0.53 0.66 -0.68 3.80 7.12 -1.06 0.23 115.31 125.92 1xv3 h LEU 36 Ca 0.14 -0.20 -0.12 0.00 0.13 0.00 0.00 57.88 57.84 1xv3 h LEU 36 Cb 0.05 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 39.99 1xv3 h LEU 36 CO -0.02 0.83 -0.25 0.00 -0.13 0.00 0.00 178.44 178.86 1xv3 h PHE 39 N 0.06 0.96 0.00 0.00 3.57 -0.45 -2.83 116.94 118.25 1xv3 h PHE 39 Ca -0.11 -0.33 -0.31 0.00 3.53 0.00 0.00 57.97 60.75 1xv3 h PHE 39 Cb 1.93 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 40.44 1xv3 h PHE 39 CO 0.05 1.12 -1.94 0.54 -2.23 0.00 0.00 178.31 175.85 1xv3 n ARG 40 N -4.14 0.57 0.09 1.11 1.74 -0.44 -4.67 116.66 110.92 1xv3 n ARG 40 Ca -0.04 0.30 -0.19 0.00 -0.77 0.00 0.00 57.85 57.14 1xv3 n ARG 40 Cb 0.56 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 30.34 1xv3 n ARG 40 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1xv3 h TYR 41 N -1.00 0.63 0.00 -1.55 -1.99 -1.40 -3.48 116.97 108.18 1xv3 h TYR 41 Ca -0.46 -0.46 0.00 0.00 2.00 0.00 0.00 58.73 59.81 1xv3 h TYR 41 Cb 1.38 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.09 1xv3 h TYR 41 CO -0.16 1.44 0.00 0.41 -0.00 0.00 0.00 178.16 179.85 1xv3 n GLY 42 N 1.67 0.93 3.78 3.88 0.00 0.15 -4.96 105.19 110.63 1xv3 n GLY 42 Ca -0.16 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1xv3 n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xv3 s ASP 43 N -2.05 5.36 -1.13 1.61 1.01 -0.96 -4.56 116.67 115.94 1xv3 s ASP 43 Ca 0.00 -0.22 -0.06 0.00 0.71 0.00 0.00 52.55 52.97 1xv3 s ASP 43 Cb 0.00 -1.34 0.01 0.00 1.01 0.00 0.00 42.92 42.60 1xv3 s ASP 43 CO 0.00 0.05 0.98 0.00 0.21 0.00 0.00 175.17 176.41 1xv3 n HIS 46 N -4.17 4.18 1.59 0.00 -0.00 -1.26 -5.10 115.22 110.46 1xv3 n HIS 46 Ca -0.05 -3.22 0.14 0.00 -0.00 0.00 0.00 57.72 54.59 1xv3 n HIS 46 Cb 0.20 -1.93 0.60 0.00 -0.00 0.00 0.00 29.99 28.86 1xv3 n HIS 46 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23