#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 -0.42 -0.50 0.41 0.15 -1.26 -5.04 113.70 107.04 1xv3 s SER 2 Ca 0.00 -0.27 -0.16 0.00 0.70 0.00 0.00 55.95 56.22 1xv3 s SER 2 Cb 0.00 0.64 0.02 0.00 -1.71 0.00 0.00 66.02 64.98 1xv3 s SER 2 CO 0.00 -1.12 0.63 -0.24 1.20 0.00 0.00 173.24 173.71 1xv3 n SER 3 N -0.41 -7.47 -2.43 5.45 2.88 -1.26 -4.83 113.62 105.55 1xv3 n SER 3 Ca -0.11 0.28 -0.23 0.00 -1.33 0.00 0.00 58.87 57.48 1xv3 n SER 3 Cb 0.62 -4.71 -0.10 0.00 -0.75 0.00 0.00 64.21 59.27 1xv3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xv3 n GLY 4 N -0.59 3.82 3.58 0.46 0.00 -1.26 -4.82 105.19 106.38 1xv3 n GLY 4 Ca 0.05 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.15 -0.26 0.49 1.61 1.13 -1.26 -5.16 117.35 113.75 1xv3 s TYR 5 Ca 0.63 0.36 0.00 0.00 -1.41 0.00 0.00 57.07 56.65 1xv3 s TYR 5 Cb 0.32 0.48 0.00 0.00 -1.10 0.00 0.00 41.96 41.67 1xv3 s TYR 5 CO -0.10 -0.29 0.00 2.41 -2.51 0.00 0.00 175.55 175.06 1xv3 n THR 6 N 0.38 -0.48 -2.89 -3.49 -1.04 -1.26 -4.80 114.28 100.69 1xv3 n THR 6 Ca -0.06 0.66 -0.40 0.00 -2.04 0.00 0.00 64.05 62.21 1xv3 n THR 6 Cb 0.59 -1.08 -0.05 0.00 -1.82 0.00 0.00 70.33 67.97 1xv3 n THR 6 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1xv3 s ARG 7 N -3.69 4.62 0.53 -2.82 1.81 -1.26 -5.04 118.95 113.10 1xv3 s ARG 7 Ca 0.00 1.24 -0.18 0.00 -1.72 0.00 0.00 55.73 55.07 1xv3 s ARG 7 Cb 0.00 -3.32 -0.06 0.00 -0.45 0.00 0.00 34.95 31.12 1xv3 s ARG 7 CO 0.00 0.41 1.05 -1.25 -0.68 0.00 0.00 175.30 174.83 1xv3 s PRO 8 N -0.62 3.59 0.98 3.54 0.04 -1.26 -5.05 135.00 136.22 1xv3 s PRO 8 Ca 0.40 1.30 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1xv3 s PRO 8 Cb -0.23 -2.07 0.19 0.00 0.04 0.00 0.00 34.50 32.43 1xv3 s PRO 8 CO 0.27 -0.60 1.23 -0.51 0.04 0.00 0.00 177.00 177.43 1xv3 s LEU 9 N -3.92 2.15 -0.81 -3.56 1.02 -1.26 -4.89 118.68 107.40 1xv3 s LEU 9 Ca 0.66 0.54 -0.25 0.00 0.02 0.00 0.00 54.13 55.09 1xv3 s LEU 9 Cb -0.16 -2.63 -0.05 0.00 0.02 0.00 0.00 46.19 43.36 1xv3 s LEU 9 CO 0.27 -2.87 2.00 -0.60 0.02 0.00 0.00 176.35 175.17 1xv3 s ARG 10 N -5.64 2.44 -0.43 1.70 3.52 -1.26 -4.79 118.95 114.49 1xv3 s ARG 10 Ca 0.70 0.06 0.06 0.00 -0.13 0.00 0.00 55.73 56.42 1xv3 s ARG 10 Cb -0.08 -4.87 0.18 0.00 -1.56 0.00 0.00 34.95 28.62 1xv3 s ARG 10 CO 0.53 -3.36 0.56 0.21 -0.81 0.00 0.00 175.30 172.43 1xv3 s LYS 11 N 7.28 0.85 0.00 5.12 2.36 -1.26 -5.15 119.74 128.94 1xv3 s LYS 11 Ca 0.73 -0.81 0.00 0.00 -2.55 0.00 0.00 55.97 53.34 1xv3 s LYS 11 Cb -0.09 -0.30 0.00 0.00 -1.05 0.00 0.00 37.83 36.39 1xv3 s LYS 11 CO 0.06 -1.25 0.00 -0.35 1.55 0.00 0.00 175.35 175.36 1xv3 n PRO 12 N 3.83 0.56 -1.72 4.03 -0.04 -1.26 -5.05 135.00 135.35 1xv3 n PRO 12 Ca 0.15 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.31 1xv3 n PRO 12 Cb 0.53 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.07 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 -1.14 4.67 0.60 3.54 0.01 -1.26 -4.99 113.70 115.13 1xv3 s SER 13 Ca 0.00 1.11 -0.19 0.00 1.31 0.00 0.00 55.95 58.17 1xv3 s SER 13 Cb 0.00 -1.79 -0.03 0.00 0.21 0.00 0.00 66.02 64.40 1xv3 s SER 13 CO 0.00 -1.84 1.20 -2.11 0.41 0.00 0.00 173.24 170.90 1xv3 n ARG 14 N -3.32 1.19 -1.94 12.44 1.85 -1.26 -4.95 116.66 120.66 1xv3 n ARG 14 Ca 0.07 0.45 -0.34 0.00 -1.00 0.00 0.00 57.85 57.04 1xv3 n ARG 14 Cb 0.58 -2.41 0.03 0.00 -1.05 0.00 0.00 32.46 29.60 1xv3 n ARG 14 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1xv3 s PRO 15 N -3.03 3.03 0.64 2.89 0.04 -1.26 -5.05 135.00 132.26 1xv3 s PRO 15 Ca 0.77 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 1xv3 s PRO 15 Cb -0.41 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.23 1xv3 s PRO 15 CO 0.45 -1.07 0.90 0.96 0.04 0.00 0.00 177.00 178.27 1xv3 s ILE 16 N -2.20 2.42 -0.01 0.56 -4.36 -1.26 -5.11 121.20 111.24 1xv3 s ILE 16 Ca 0.68 -0.55 0.06 0.00 -0.26 0.00 0.00 60.65 60.58 1xv3 s ILE 16 Cb -0.21 -2.87 -0.02 0.00 1.25 0.00 0.00 42.46 40.61 1xv3 s ILE 16 CO 0.37 0.00 -0.20 0.72 0.24 0.00 0.00 174.94 176.06 1xv3 s PHE 17 N -2.99 1.80 0.38 1.37 -0.12 -1.26 -5.14 117.98 112.02 1xv3 s PHE 17 Ca 0.61 -0.34 0.05 0.00 -0.05 0.00 0.00 56.93 57.20 1xv3 s PHE 17 Cb -0.09 -1.16 -0.02 0.00 -0.63 0.00 0.00 43.02 41.12 1xv3 s PHE 17 CO 0.42 -0.03 0.19 0.44 -0.05 0.00 0.00 175.22 176.19 1xv3 n ILE 18 N 2.56 0.00 -1.75 -4.49 -5.35 -1.26 -5.10 119.36 103.97 1xv3 n ILE 18 Ca -0.15 -2.37 -0.42 0.00 -0.27 0.00 0.00 62.75 59.54 1xv3 n ILE 18 Cb 0.53 0.96 -0.03 0.00 -1.74 0.00 0.00 39.64 39.36 1xv3 n ILE 18 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1xv3 s ARG 19 N -3.47 4.14 0.90 6.28 6.06 -1.26 -4.97 118.95 126.64 1xv3 s ARG 19 Ca 0.26 2.56 -0.12 0.00 -2.50 0.00 0.00 55.73 55.93 1xv3 s ARG 19 Cb 0.01 -3.47 0.13 0.00 0.06 0.00 0.00 34.95 31.68 1xv3 s ARG 19 CO 0.19 -0.80 1.10 -1.25 -2.50 0.00 0.00 175.30 172.03 1xv3 s PRO 20 N 2.34 1.21 0.75 5.12 0.04 -1.26 -5.04 135.00 138.16 1xv3 s PRO 20 Ca 0.78 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 1xv3 s PRO 20 Cb -0.46 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.31 1xv3 s PRO 20 CO 0.35 -2.24 1.12 0.42 0.04 0.00 0.00 177.00 176.69 1xv3 s ILE 21 N -3.00 2.77 0.00 0.56 -1.09 -1.26 -4.39 121.20 114.78 1xv3 s ILE 21 Ca 0.63 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 1xv3 s ILE 21 Cb -0.17 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 1xv3 s ILE 21 CO 0.56 -0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 1xv3 n GLY 22 N -3.13 2.63 0.20 6.18 0.00 -1.26 -4.74 105.19 105.07 1xv3 n GLY 22 Ca 0.07 -0.69 0.04 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 -4.06 1.70 -3.18 0.00 9.92 -1.26 -4.10 116.55 115.57 1xv3 n ASP 24 Ca -0.02 -2.13 -0.20 0.00 -0.53 0.00 0.00 54.79 51.91 1xv3 n ASP 24 Cb 0.35 -0.35 -0.04 0.00 -0.64 0.00 0.00 41.12 40.45 1xv3 n ASP 24 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1xv3 n VAL 25 N 0.13 -0.03 0.04 2.53 0.31 -0.75 -4.94 118.33 115.61 1xv3 n VAL 25 Ca 0.07 -4.55 0.21 0.00 -0.01 0.00 0.00 64.34 60.06 1xv3 n VAL 25 Cb 0.34 -0.68 0.64 0.00 -0.91 0.00 0.00 33.84 33.23 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 -4.48 3.15 0.00 0.00 2.02 -1.26 -4.41 117.35 112.37 1xv3 s TYR 27 Ca -0.04 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1xv3 s TYR 27 Cb 0.14 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.60 1xv3 s TYR 27 CO 0.47 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.82 1xv3 n GLY 28 N 3.95 1.59 3.89 0.71 0.00 -1.26 -5.08 105.19 108.99 1xv3 n GLY 28 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.86 4.37 0.57 -0.61 -4.36 -1.25 -5.05 121.20 113.01 1xv3 s ILE 29 Ca 0.00 0.45 -0.17 0.00 -0.26 0.00 0.00 60.65 60.67 1xv3 s ILE 29 Cb 0.00 -3.73 -0.04 0.00 1.25 0.00 0.00 42.46 39.94 1xv3 s ILE 29 CO 0.00 -0.85 1.06 -2.16 0.24 0.00 0.00 174.94 173.23 1xv3 s PRO 30 N -5.05 3.39 0.26 0.37 0.04 -1.26 -4.83 135.00 127.92 1xv3 s PRO 30 Ca 0.53 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 1xv3 s PRO 30 Cb -0.11 -2.04 0.43 0.00 0.04 0.00 0.00 34.50 32.82 1xv3 s PRO 30 CO 0.49 -0.76 1.85 1.03 0.04 0.00 0.00 177.00 179.65 1xv3 h SER 31 N 0.66 0.88 -0.38 6.66 0.87 -1.98 0.94 113.55 121.20 1xv3 h SER 31 Ca -0.47 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 1xv3 h SER 31 Cb 1.22 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 1xv3 h SER 31 CO 0.58 0.53 0.20 -1.28 -0.53 0.00 0.00 176.83 176.32 1xv3 h SER 32 N 1.00 0.49 -0.46 6.23 0.87 -1.99 0.26 113.55 119.94 1xv3 h SER 32 Ca 0.43 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.78 1xv3 h SER 32 Cb 0.30 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1xv3 h SER 32 CO -0.21 0.45 -0.12 0.74 -0.53 0.00 0.00 176.83 177.16 1xv3 h THR 33 N 0.48 1.27 -0.87 2.23 2.02 -1.79 -2.35 112.91 113.89 1xv3 h THR 33 Ca 0.13 -1.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.05 1xv3 h THR 33 Cb 0.09 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 1xv3 h THR 33 CO -0.02 0.43 0.47 0.00 0.37 0.00 0.00 175.52 176.77 1xv3 h ALA 34 N 0.87 1.19 -0.44 6.16 0.00 -0.49 -0.35 119.26 126.20 1xv3 h ALA 34 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xv3 h ALA 34 Cb 0.67 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xv3 h ALA 34 CO 0.05 0.65 0.20 -0.09 0.00 0.00 0.00 179.25 180.06 1xv3 h ARG 35 N 1.22 0.64 -0.55 0.00 9.65 -0.27 -2.08 114.38 123.00 1xv3 h ARG 35 Ca 0.31 -0.10 -0.06 0.00 -1.10 0.00 0.00 59.98 59.02 1xv3 h ARG 35 Cb 0.03 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 1xv3 h ARG 35 CO -0.05 0.56 0.08 -0.07 2.80 0.00 0.00 179.97 183.30 1xv3 h LEU 36 N 0.57 0.82 -1.38 3.80 4.07 -0.98 -1.14 115.31 121.07 1xv3 h LEU 36 Ca 0.15 -0.17 -0.05 0.00 0.08 0.00 0.00 57.88 57.89 1xv3 h LEU 36 Cb 0.14 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1xv3 h LEU 36 CO -0.02 0.84 -0.09 0.00 -1.08 0.00 0.00 178.44 178.09 1xv3 h PHE 39 N 0.11 0.92 0.00 0.00 3.57 -1.01 -2.68 116.94 117.84 1xv3 h PHE 39 Ca -0.24 -0.18 -0.07 0.00 3.53 0.00 0.00 57.97 61.01 1xv3 h PHE 39 Cb 2.08 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.58 1xv3 h PHE 39 CO 0.09 0.90 -1.15 0.54 -2.23 0.00 0.00 178.31 176.46 1xv3 n ARG 40 N -4.15 0.49 0.07 1.11 1.74 -0.54 -4.72 116.66 110.66 1xv3 n ARG 40 Ca 0.01 0.20 -0.19 0.00 -0.77 0.00 0.00 57.85 57.10 1xv3 n ARG 40 Cb 0.38 -1.36 -0.10 0.00 -1.02 0.00 0.00 32.46 30.36 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 -0.91 0.88 0.00 -1.55 -1.99 -1.43 -3.48 116.97 108.49 1xv3 h TYR 41 Ca -0.10 -0.52 0.00 0.00 2.00 0.00 0.00 58.73 60.11 1xv3 h TYR 41 Cb 1.02 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.66 1xv3 h TYR 41 CO -0.34 1.36 0.00 0.41 -0.00 0.00 0.00 178.16 179.59 1xv3 n GLY 42 N 1.20 1.00 3.77 3.88 0.00 0.17 -4.96 105.19 110.26 1xv3 n GLY 42 Ca -0.11 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 5.32 -1.18 1.61 1.01 -0.96 -4.57 116.67 115.91 1xv3 s ASP 43 Ca 0.00 -0.26 -0.06 0.00 0.71 0.00 0.00 52.55 52.94 1xv3 s ASP 43 Cb 0.00 -1.31 0.01 0.00 1.01 0.00 0.00 42.92 42.62 1xv3 s ASP 43 CO 0.00 0.03 1.02 0.00 0.21 0.00 0.00 175.17 176.42 1xv3 n HIS 46 N -4.65 2.61 1.62 0.00 8.25 -1.26 -5.08 115.22 116.70 1xv3 n HIS 46 Ca -0.08 -2.66 0.14 0.00 -0.26 0.00 0.00 57.72 54.87 1xv3 n HIS 46 Cb 0.23 -1.50 0.62 0.00 1.12 0.00 0.00 29.99 30.47 1xv3 n HIS 46 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87