#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 6.55 -0.73 4.39 0.15 -1.26 -5.00 113.70 117.80 1xv3 s SER 2 Ca 0.00 0.44 -0.25 0.00 0.70 0.00 0.00 55.95 56.85 1xv3 s SER 2 Cb 0.00 -2.37 0.05 0.00 -1.71 0.00 0.00 66.02 61.99 1xv3 s SER 2 CO 0.00 -0.60 1.15 -0.44 1.20 0.00 0.00 173.24 174.55 1xv3 s SER 3 N 1.70 6.20 0.00 5.45 0.01 -1.26 -4.79 113.70 121.01 1xv3 s SER 3 Ca 0.29 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1xv3 s SER 3 Cb -0.14 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1xv3 s SER 3 CO 0.14 -1.63 0.00 0.61 0.41 0.00 0.00 173.24 172.77 1xv3 n GLY 4 N 5.44 -0.46 3.72 3.44 0.00 -1.26 -5.10 105.19 110.97 1xv3 n GLY 4 Ca 0.02 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1xv3 n GLY 4 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xv3 s TYR 5 N -4.00 3.35 -0.08 1.61 1.13 -1.26 -5.02 117.35 113.07 1xv3 s TYR 5 Ca 0.00 1.20 -0.04 0.00 -1.41 0.00 0.00 57.07 56.82 1xv3 s TYR 5 Cb 0.00 -3.53 0.04 0.00 -1.10 0.00 0.00 41.96 37.37 1xv3 s TYR 5 CO 0.00 -1.71 0.19 0.99 -2.51 0.00 0.00 175.55 172.51 1xv3 s THR 6 N 0.73 -0.10 -0.41 -3.49 2.01 -1.26 -4.98 115.64 108.15 1xv3 s THR 6 Ca 0.59 0.20 -0.19 0.00 0.31 0.00 0.00 61.69 62.60 1xv3 s THR 6 Cb -0.33 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 71.90 1xv3 s THR 6 CO 0.32 0.08 0.53 -1.14 -0.69 0.00 0.00 174.62 173.72 1xv3 n ARG 7 N 4.43 -2.34 -2.18 4.92 0.63 -1.26 -4.86 116.66 116.00 1xv3 n ARG 7 Ca -0.22 2.00 -0.34 0.00 -0.92 0.00 0.00 57.85 58.37 1xv3 n ARG 7 Cb 0.52 -4.69 0.01 0.00 0.45 0.00 0.00 32.46 28.74 1xv3 n ARG 7 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1xv3 s PRO 8 N -2.41 3.30 -0.04 -0.14 0.04 -1.26 -4.62 135.00 129.87 1xv3 s PRO 8 Ca 0.24 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 1xv3 s PRO 8 Cb -0.05 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1xv3 s PRO 8 CO 0.77 -0.87 0.08 -1.17 0.04 0.00 0.00 177.00 175.85 1xv3 s LEU 9 N -4.02 1.18 -0.86 -3.56 1.98 -1.26 -5.02 118.68 107.12 1xv3 s LEU 9 Ca 0.70 0.16 -0.25 0.00 -2.89 0.00 0.00 54.13 51.86 1xv3 s LEU 9 Cb -0.22 0.18 -0.03 0.00 0.66 0.00 0.00 46.19 46.78 1xv3 s LEU 9 CO 0.30 -0.10 1.87 -0.60 -1.89 0.00 0.00 176.35 175.92 1xv3 s ARG 10 N 0.76 2.68 -0.20 1.98 3.52 -1.26 -4.83 118.95 121.60 1xv3 s ARG 10 Ca -0.06 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.28 1xv3 s ARG 10 Cb -0.08 -4.96 0.09 0.00 -1.56 0.00 0.00 34.95 28.44 1xv3 s ARG 10 CO -0.03 -3.13 0.22 0.21 -0.81 0.00 0.00 175.30 171.76 1xv3 s LYS 11 N 6.79 0.19 0.94 5.12 2.20 -1.26 -5.15 119.74 128.57 1xv3 s LYS 11 Ca 0.66 0.18 -0.15 0.00 -0.36 0.00 0.00 55.97 56.30 1xv3 s LYS 11 Cb -0.07 -1.23 0.18 0.00 -1.51 0.00 0.00 37.83 35.20 1xv3 s LYS 11 CO 0.02 -0.66 1.30 -1.25 -0.36 0.00 0.00 175.35 174.40 1xv3 s PRO 12 N 2.32 0.81 -1.03 4.03 0.04 -1.26 -4.13 135.00 135.78 1xv3 s PRO 12 Ca 0.07 -0.33 -0.03 0.00 0.04 0.00 0.00 61.00 60.75 1xv3 s PRO 12 Cb -0.16 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1xv3 s PRO 12 CO -0.12 -2.31 0.16 0.45 0.04 0.00 0.00 177.00 175.21 1xv3 n SER 13 N -3.71 -3.61 0.00 6.66 2.88 -1.26 -4.87 113.62 109.71 1xv3 n SER 13 Ca 0.14 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1xv3 n SER 13 Cb 0.60 -3.05 0.00 0.00 -0.75 0.00 0.00 64.21 61.00 1xv3 n SER 13 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1xv3 n ARG 14 N -3.07 0.00 -1.64 -1.46 0.63 -1.26 -5.16 116.66 104.69 1xv3 n ARG 14 Ca -0.09 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.52 1xv3 n ARG 14 Cb 0.58 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.54 1xv3 n ARG 14 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1xv3 s PRO 15 N -1.84 2.92 0.64 -0.14 0.04 -1.26 -4.85 135.00 130.51 1xv3 s PRO 15 Ca 0.00 1.06 -0.18 0.00 0.04 0.00 0.00 61.00 61.92 1xv3 s PRO 15 Cb 0.00 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1xv3 s PRO 15 CO 0.00 -1.12 1.29 0.42 0.04 0.00 0.00 177.00 177.64 1xv3 s ILE 16 N -2.86 2.05 0.55 0.56 1.01 -1.26 -4.74 121.20 116.50 1xv3 s ILE 16 Ca 0.60 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1xv3 s ILE 16 Cb -0.15 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1xv3 s ILE 16 CO 0.50 -0.01 0.00 0.33 0.00 0.00 0.00 174.94 175.77 1xv3 n PHE 17 N -1.89 -3.66 -0.68 3.97 7.35 -1.26 -4.91 117.46 116.38 1xv3 n PHE 17 Ca 0.16 1.98 -0.07 0.00 -0.76 0.00 0.00 57.45 58.76 1xv3 n PHE 17 Cb 0.48 -3.33 0.06 0.00 0.35 0.00 0.00 39.48 37.04 1xv3 n PHE 17 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 1xv3 n ILE 18 N -4.23 0.00 -1.36 -2.13 -5.35 -1.26 -4.97 119.36 100.05 1xv3 n ILE 18 Ca -0.07 -0.12 -0.35 0.00 -0.27 0.00 0.00 62.75 61.94 1xv3 n ILE 18 Cb 0.65 -1.13 0.10 0.00 -1.74 0.00 0.00 39.64 37.53 1xv3 n ILE 18 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xv3 s ARG 19 N -3.58 2.00 1.09 6.28 1.04 -1.26 -4.99 118.95 119.53 1xv3 s ARG 19 Ca 0.16 1.84 -0.14 0.00 -1.04 0.00 0.00 55.73 56.55 1xv3 s ARG 19 Cb -0.01 -1.81 0.23 0.00 -2.04 0.00 0.00 34.95 31.32 1xv3 s ARG 19 CO 0.12 -1.96 1.08 -1.25 -0.04 0.00 0.00 175.30 173.26 1xv3 s PRO 20 N -3.88 -0.28 0.87 3.89 0.04 -1.26 -5.02 135.00 129.36 1xv3 s PRO 20 Ca 0.76 0.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.07 1xv3 s PRO 20 Cb -0.31 -1.66 0.11 0.00 0.04 0.00 0.00 34.50 32.68 1xv3 s PRO 20 CO 0.46 -3.19 1.12 0.42 0.04 0.00 0.00 177.00 175.85 1xv3 s ILE 21 N -2.89 2.48 0.00 0.56 -1.09 -1.26 -4.25 121.20 114.75 1xv3 s ILE 21 Ca 0.67 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1xv3 s ILE 21 Cb -0.17 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 1xv3 s ILE 21 CO 0.58 -0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.70 1xv3 n GLY 22 N -2.03 2.61 0.20 6.18 0.00 -1.26 -4.71 105.19 106.18 1xv3 n GLY 22 Ca 0.07 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.16 0.85 -3.19 0.00 -0.08 -1.26 -4.04 116.55 104.68 1xv3 n ASP 24 Ca -0.02 -2.03 -0.20 0.00 -1.51 0.00 0.00 54.79 51.03 1xv3 n ASP 24 Cb 0.36 -0.18 -0.04 0.00 2.34 0.00 0.00 41.12 43.60 1xv3 n ASP 24 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1xv3 n VAL 25 N -0.11 -0.26 0.04 5.18 0.31 -0.80 -4.95 118.33 117.74 1xv3 n VAL 25 Ca 0.04 -4.44 0.22 0.00 -0.01 0.00 0.00 64.34 60.15 1xv3 n VAL 25 Cb 0.16 -0.80 0.67 0.00 -0.91 0.00 0.00 33.84 32.97 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 -4.52 3.16 0.00 0.00 2.02 -1.26 -4.40 117.35 112.34 1xv3 s TYR 27 Ca -0.04 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 1xv3 s TYR 27 Cb 0.14 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1xv3 s TYR 27 CO 0.50 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.85 1xv3 n GLY 28 N 3.98 1.56 3.90 0.71 0.00 -1.26 -5.09 105.19 108.99 1xv3 n GLY 28 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.82 4.29 0.60 -0.61 -4.36 -1.26 -5.05 121.20 113.00 1xv3 s ILE 29 Ca 0.00 0.31 -0.15 0.00 -0.26 0.00 0.00 60.65 60.54 1xv3 s ILE 29 Cb 0.00 -3.69 -0.03 0.00 1.25 0.00 0.00 42.46 39.99 1xv3 s ILE 29 CO 0.00 -0.76 1.06 -2.16 0.24 0.00 0.00 174.94 173.32 1xv3 s PRO 30 N -4.99 3.27 0.25 0.37 0.04 -1.26 -4.84 135.00 127.84 1xv3 s PRO 30 Ca 0.52 1.19 -0.05 0.00 0.04 0.00 0.00 61.00 62.70 1xv3 s PRO 30 Cb -0.11 -2.03 0.31 0.00 0.04 0.00 0.00 34.50 32.72 1xv3 s PRO 30 CO 0.48 -0.85 1.89 1.03 0.04 0.00 0.00 177.00 179.59 1xv3 h SER 31 N 0.34 1.00 -0.39 6.66 0.87 -1.98 0.24 113.55 120.28 1xv3 h SER 31 Ca -0.47 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1xv3 h SER 31 Cb 1.22 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1xv3 h SER 31 CO 0.57 0.68 0.25 -1.28 -0.53 0.00 0.00 176.83 176.52 1xv3 h SER 32 N 1.16 0.46 -0.51 6.23 0.87 -1.99 0.42 113.55 120.20 1xv3 h SER 32 Ca 0.38 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.83 1xv3 h SER 32 Cb 0.04 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1xv3 h SER 32 CO -0.13 0.36 0.00 0.74 -0.53 0.00 0.00 176.83 177.27 1xv3 h THR 33 N 0.52 1.26 -0.80 2.23 2.02 -1.83 -2.46 112.91 113.85 1xv3 h THR 33 Ca 0.14 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 1xv3 h THR 33 Cb -0.03 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1xv3 h THR 33 CO -0.03 0.38 0.39 0.00 0.37 0.00 0.00 175.52 176.63 1xv3 h ALA 34 N 0.94 1.17 -0.56 6.16 0.00 -0.47 -1.20 119.26 125.31 1xv3 h ALA 34 Ca 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xv3 h ALA 34 Cb 0.51 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xv3 h ALA 34 CO 0.03 0.63 0.34 0.00 0.00 0.00 0.00 179.25 180.25 1xv3 h ARG 35 N 1.14 0.75 -0.55 0.00 2.47 0.12 -1.64 114.38 116.68 1xv3 h ARG 35 Ca 0.28 -0.07 -0.09 0.00 -1.26 0.00 0.00 59.98 58.84 1xv3 h ARG 35 Cb 0.11 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1xv3 h ARG 35 CO -0.04 0.54 -0.01 1.25 0.56 0.00 0.00 179.97 182.28 1xv3 h LEU 36 N 0.75 0.92 -1.28 3.04 7.12 -1.05 -1.18 115.31 123.64 1xv3 h LEU 36 Ca 0.20 -0.25 -0.03 0.00 0.13 0.00 0.00 57.88 57.93 1xv3 h LEU 36 Cb -0.02 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 39.84 1xv3 h LEU 36 CO -0.04 0.99 0.13 0.00 -0.13 0.00 0.00 178.44 179.39 1xv3 h PHE 39 N 0.18 1.02 0.00 0.00 3.57 -0.97 -2.40 116.94 118.35 1xv3 h PHE 39 Ca -0.20 -0.23 -0.08 0.00 3.53 0.00 0.00 57.97 60.99 1xv3 h PHE 39 Cb 2.01 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.49 1xv3 h PHE 39 CO 0.11 1.01 -1.10 0.54 -2.23 0.00 0.00 178.31 176.64 1xv3 n ARG 40 N -4.12 0.52 0.06 1.11 1.74 -0.20 -4.69 116.66 111.08 1xv3 n ARG 40 Ca 0.00 0.33 -0.15 0.00 -0.77 0.00 0.00 57.85 57.26 1xv3 n ARG 40 Cb 0.44 -1.53 -0.14 0.00 -1.02 0.00 0.00 32.46 30.21 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 0.37 0.00 -1.55 -1.99 -1.30 -3.48 116.97 108.01 1xv3 h TYR 41 Ca -0.12 -0.27 0.00 0.00 2.00 0.00 0.00 58.73 60.34 1xv3 h TYR 41 Cb 0.97 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.69 1xv3 h TYR 41 CO -0.29 1.30 0.00 0.41 -0.00 0.00 0.00 178.16 179.58 1xv3 n GLY 42 N 1.61 0.95 3.83 3.88 0.00 0.21 -4.95 105.19 110.72 1xv3 n GLY 42 Ca -0.14 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.02 5.66 -1.28 1.61 1.01 -0.99 -4.51 116.67 116.15 1xv3 s ASP 43 Ca 0.00 -0.13 -0.06 0.00 0.71 0.00 0.00 52.55 53.07 1xv3 s ASP 43 Cb 0.00 -1.50 0.01 0.00 1.01 0.00 0.00 42.92 42.43 1xv3 s ASP 43 CO 0.00 0.02 0.81 0.00 0.21 0.00 0.00 175.17 176.20 1xv3 n HIS 46 N -4.75 2.73 1.47 0.00 -0.00 -1.26 -5.08 115.22 108.33 1xv3 n HIS 46 Ca -0.02 -2.74 0.14 0.00 -0.00 0.00 0.00 57.72 55.10 1xv3 n HIS 46 Cb 0.07 -1.78 0.50 0.00 -0.00 0.00 0.00 29.99 28.78 1xv3 n HIS 46 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23