#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xv3 n SER 2 N 0.00 4.66 -4.71 0.26 3.41 -1.26 -4.95 113.62 111.02 1xv3 n SER 2 Ca 0.00 -2.89 -0.42 0.00 -0.26 0.00 0.00 58.87 55.30 1xv3 n SER 2 Cb 0.00 -1.60 -0.03 0.00 -0.26 0.00 0.00 64.21 62.32 1xv3 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xv3 s SER 3 N 2.50 7.16 0.00 4.04 0.01 -1.26 -3.49 113.70 122.66 1xv3 s SER 3 Ca 0.47 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.66 1xv3 s SER 3 Cb 0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1xv3 s SER 3 CO -0.07 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1xv3 n GLY 4 N 3.10 3.04 3.52 3.44 0.00 -1.26 -4.96 105.19 112.07 1xv3 n GLY 4 Ca 0.08 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 1xv3 n GLY 4 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xv3 s TYR 5 N -0.09 -0.79 -0.47 1.61 5.04 -1.23 -5.12 117.35 116.30 1xv3 s TYR 5 Ca 0.00 1.75 -0.17 0.00 -2.44 0.00 0.00 57.07 56.20 1xv3 s TYR 5 Cb 0.00 0.37 0.05 0.00 0.35 0.00 0.00 41.96 42.73 1xv3 s TYR 5 CO 0.00 -0.39 0.50 0.99 -1.34 0.00 0.00 175.55 175.30 1xv3 s THR 6 N 0.94 5.05 -0.09 4.34 2.01 -1.26 -4.76 115.64 121.87 1xv3 s THR 6 Ca -0.05 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 1xv3 s THR 6 Cb -0.05 -4.17 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 1xv3 s THR 6 CO -0.08 -0.62 1.96 0.00 -0.69 0.00 0.00 174.62 175.19 1xv3 s ARG 7 N 2.17 3.78 0.88 4.92 1.04 -1.26 -4.97 118.95 125.51 1xv3 s ARG 7 Ca 0.11 2.25 -0.12 0.00 -1.04 0.00 0.00 55.73 56.92 1xv3 s ARG 7 Cb -0.20 -4.19 0.12 0.00 -2.04 0.00 0.00 34.95 28.64 1xv3 s ARG 7 CO 0.11 -1.35 1.15 -1.25 -0.04 0.00 0.00 175.30 173.92 1xv3 s PRO 8 N 5.03 1.41 0.06 3.89 0.04 -1.26 -4.85 135.00 139.33 1xv3 s PRO 8 Ca 0.88 0.25 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1xv3 s PRO 8 Cb -0.36 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1xv3 s PRO 8 CO 0.37 -2.00 0.00 -0.11 0.04 0.00 0.00 177.00 175.29 1xv3 n LEU 9 N -3.62 -5.04 -4.58 -3.56 -0.00 -1.26 -4.73 117.00 94.21 1xv3 n LEU 9 Ca 0.07 2.07 -0.41 0.00 -0.00 0.00 0.00 56.01 57.74 1xv3 n LEU 9 Cb 0.60 -2.52 -0.03 0.00 -0.00 0.00 0.00 43.42 41.47 1xv3 n LEU 9 CO 0.57 -1.70 1.74 -0.60 -0.00 0.00 0.00 177.39 177.40 1xv3 s ARG 10 N -1.18 2.87 -0.27 1.96 6.06 -1.26 -3.74 118.95 123.39 1xv3 s ARG 10 Ca 0.00 1.43 -0.05 0.00 -2.50 0.00 0.00 55.73 54.60 1xv3 s ARG 10 Cb 0.00 -4.37 0.01 0.00 0.06 0.00 0.00 34.95 30.65 1xv3 s ARG 10 CO 0.00 -2.41 0.19 1.17 -2.50 0.00 0.00 175.30 171.76 1xv3 n LYS 11 N 8.79 -2.28 0.00 5.12 3.00 -1.26 -5.04 118.16 126.48 1xv3 n LYS 11 Ca 0.27 2.02 0.00 0.00 -0.00 0.00 0.00 58.31 60.60 1xv3 n LYS 11 Cb 0.49 -4.46 0.00 0.00 0.00 0.00 0.00 35.03 31.07 1xv3 n LYS 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1xv3 n PRO 12 N 0.15 0.21 -1.62 1.64 -0.04 -1.25 -4.91 135.00 129.19 1xv3 n PRO 12 Ca 0.04 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.03 1xv3 n PRO 12 Cb 0.15 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.58 1xv3 n PRO 12 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xv3 n SER 13 N -1.39 2.00 -4.95 3.54 7.64 -1.26 -4.98 113.62 114.21 1xv3 n SER 13 Ca 0.00 1.15 -0.20 0.00 1.01 0.00 0.00 58.87 60.83 1xv3 n SER 13 Cb 0.00 -1.32 -0.02 0.00 -1.01 0.00 0.00 64.21 61.86 1xv3 n SER 13 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1xv3 s ARG 14 N -0.54 3.08 1.00 1.43 0.52 -1.26 -5.11 118.95 118.06 1xv3 s ARG 14 Ca 0.69 -1.03 -0.15 0.00 -0.52 0.00 0.00 55.73 54.72 1xv3 s ARG 14 Cb -0.74 -2.75 0.19 0.00 0.52 0.00 0.00 34.95 32.17 1xv3 s ARG 14 CO 0.52 0.15 1.17 -1.25 0.02 0.00 0.00 175.30 175.91 1xv3 s PRO 15 N -4.09 0.40 0.66 3.54 0.04 -1.26 -4.99 135.00 129.30 1xv3 s PRO 15 Ca 0.42 0.05 -0.17 0.00 0.04 0.00 0.00 61.00 61.33 1xv3 s PRO 15 Cb -0.09 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1xv3 s PRO 15 CO 0.30 -2.65 1.19 0.44 0.04 0.00 0.00 177.00 176.32 1xv3 n ILE 16 N -4.03 4.31 -3.46 0.56 -5.35 -1.26 -5.02 119.36 105.10 1xv3 n ILE 16 Ca 0.10 -0.46 -0.11 0.00 -0.27 0.00 0.00 62.75 62.00 1xv3 n ILE 16 Cb 0.59 -1.36 -0.03 0.00 -1.74 0.00 0.00 39.64 37.10 1xv3 n ILE 16 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1xv3 s PHE 17 N -1.51 -0.48 -1.40 4.28 5.36 -1.26 -5.06 117.98 117.91 1xv3 s PHE 17 Ca 0.80 0.39 -0.14 0.00 -0.96 0.00 0.00 56.93 57.01 1xv3 s PHE 17 Cb -0.38 0.53 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 1xv3 s PHE 17 CO 0.43 -0.70 2.29 0.44 -1.46 0.00 0.00 175.22 176.22 1xv3 n ILE 18 N -0.16 3.37 -1.35 3.12 -5.35 -1.26 -4.96 119.36 112.78 1xv3 n ILE 18 Ca -0.14 -2.77 -0.38 0.00 -0.27 0.00 0.00 62.75 59.18 1xv3 n ILE 18 Cb 0.63 -2.57 0.03 0.00 -1.74 0.00 0.00 39.64 35.99 1xv3 n ILE 18 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1xv3 n ARG 19 N 5.83 0.27 -1.22 6.28 0.00 -1.26 -4.95 116.66 121.62 1xv3 n ARG 19 Ca 0.55 0.11 -0.29 0.00 -0.00 0.00 0.00 57.85 58.23 1xv3 n ARG 19 Cb 0.37 -1.42 0.18 0.00 -0.00 0.00 0.00 32.46 31.58 1xv3 n ARG 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xv3 s PRO 20 N -1.74 0.33 0.81 2.89 0.04 -1.26 -5.04 135.00 131.02 1xv3 s PRO 20 Ca 0.63 0.41 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 1xv3 s PRO 20 Cb -0.45 -1.73 0.08 0.00 0.04 0.00 0.00 34.50 32.44 1xv3 s PRO 20 CO 0.60 -2.77 1.14 0.42 0.04 0.00 0.00 177.00 176.43 1xv3 s ILE 21 N -3.02 2.46 0.00 0.56 -1.09 -1.26 -4.35 121.20 114.50 1xv3 s ILE 21 Ca 0.66 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 1xv3 s ILE 21 Cb -0.17 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1xv3 s ILE 21 CO 0.57 -0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 1xv3 n GLY 22 N -2.85 2.70 0.22 6.18 0.00 -1.26 -4.75 105.19 105.42 1xv3 n GLY 22 Ca 0.07 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.20 1.20 -3.19 0.00 2.03 -1.26 -4.13 116.55 107.00 1xv3 n ASP 24 Ca -0.01 -2.06 -0.20 0.00 0.52 0.00 0.00 54.79 53.04 1xv3 n ASP 24 Cb 0.33 -0.23 -0.05 0.00 -0.72 0.00 0.00 41.12 40.46 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 0.03 -0.32 -0.07 5.18 0.31 -0.75 -4.95 118.33 117.76 1xv3 n VAL 25 Ca 0.06 -4.39 0.25 0.00 -0.01 0.00 0.00 64.34 60.25 1xv3 n VAL 25 Cb 0.23 -0.91 0.66 0.00 -0.91 0.00 0.00 33.84 32.90 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 -4.61 3.36 0.00 0.00 2.02 -1.26 -4.30 117.35 112.55 1xv3 s TYR 27 Ca -0.04 0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 1xv3 s TYR 27 Cb 0.16 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 1xv3 s TYR 27 CO 0.56 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 175.16 1xv3 n GLY 28 N 3.73 2.18 3.92 0.71 0.00 -1.26 -5.08 105.19 109.39 1xv3 n GLY 28 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.22 4.60 0.58 -0.61 -4.36 -1.26 -5.06 121.20 112.87 1xv3 s ILE 29 Ca 0.00 0.05 -0.16 0.00 -0.26 0.00 0.00 60.65 60.28 1xv3 s ILE 29 Cb 0.00 -3.75 -0.04 0.00 1.25 0.00 0.00 42.46 39.92 1xv3 s ILE 29 CO 0.00 -0.71 1.06 -2.16 0.24 0.00 0.00 174.94 173.37 1xv3 s PRO 30 N -4.74 3.37 0.25 0.37 0.04 -1.26 -4.84 135.00 128.18 1xv3 s PRO 30 Ca 0.48 1.22 -0.04 0.00 0.04 0.00 0.00 61.00 62.70 1xv3 s PRO 30 Cb -0.10 -2.04 0.36 0.00 0.04 0.00 0.00 34.50 32.76 1xv3 s PRO 30 CO 0.44 -0.77 1.85 1.03 0.04 0.00 0.00 177.00 179.58 1xv3 h SER 31 N 0.55 0.86 -0.35 6.66 0.87 -1.98 0.72 113.55 120.88 1xv3 h SER 31 Ca -0.47 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1xv3 h SER 31 Cb 1.22 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 1xv3 h SER 31 CO 0.58 0.54 0.19 -1.28 -0.53 0.00 0.00 176.83 176.33 1xv3 h SER 32 N 0.99 0.44 -0.48 6.23 0.87 -1.99 0.37 113.55 119.98 1xv3 h SER 32 Ca 0.39 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.76 1xv3 h SER 32 Cb 0.21 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1xv3 h SER 32 CO -0.19 0.40 -0.11 0.74 -0.53 0.00 0.00 176.83 177.14 1xv3 h THR 33 N 0.44 1.27 -0.65 2.23 2.02 -1.83 -2.44 112.91 113.95 1xv3 h THR 33 Ca 0.12 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.02 1xv3 h THR 33 Cb 0.06 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1xv3 h THR 33 CO -0.02 0.43 0.22 0.00 0.37 0.00 0.00 175.52 176.51 1xv3 h ALA 34 N 0.89 1.16 -0.40 6.16 0.00 -0.53 -1.13 119.26 125.41 1xv3 h ALA 34 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xv3 h ALA 34 Cb 0.66 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1xv3 h ALA 34 CO 0.05 0.59 0.21 -0.09 0.00 0.00 0.00 179.25 180.00 1xv3 h ARG 35 N 0.95 0.57 -0.61 0.00 2.43 -0.02 -2.06 114.38 115.64 1xv3 h ARG 35 Ca 0.21 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1xv3 h ARG 35 Cb 0.25 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1xv3 h ARG 35 CO -0.01 0.48 0.14 1.25 -1.51 0.00 0.00 179.97 180.31 1xv3 h LEU 36 N 0.51 0.89 -1.46 3.80 6.46 -1.11 -1.11 115.31 123.30 1xv3 h LEU 36 Ca 0.14 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1xv3 h LEU 36 Cb 0.08 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.76 1xv3 h LEU 36 CO -0.02 0.87 0.23 0.00 -0.62 0.00 0.00 178.44 178.91 1xv3 h PHE 39 N 0.10 1.14 0.00 0.00 3.57 -0.79 -2.58 116.94 118.38 1xv3 h PHE 39 Ca -0.18 -0.21 -0.25 0.00 3.53 0.00 0.00 57.97 60.85 1xv3 h PHE 39 Cb 2.04 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 40.45 1xv3 h PHE 39 CO 0.08 1.03 -1.81 0.54 -2.23 0.00 0.00 178.31 175.92 1xv3 n ARG 40 N -4.16 0.53 0.10 1.11 1.74 -0.33 -4.70 116.66 110.94 1xv3 n ARG 40 Ca 0.02 0.22 -0.18 0.00 -0.77 0.00 0.00 57.85 57.14 1xv3 n ARG 40 Cb 0.37 -1.41 -0.15 0.00 -1.02 0.00 0.00 32.46 30.26 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 -0.94 0.59 0.00 -1.55 -1.99 -1.29 -3.48 116.97 108.31 1xv3 h TYR 41 Ca -0.38 -0.43 0.00 0.00 2.00 0.00 0.00 58.73 59.91 1xv3 h TYR 41 Cb 1.31 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.01 1xv3 h TYR 41 CO -0.22 1.40 0.00 0.41 -0.00 0.00 0.00 178.16 179.75 1xv3 n GLY 42 N 1.64 0.98 3.76 3.88 0.00 0.19 -4.95 105.19 110.69 1xv3 n GLY 42 Ca -0.14 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 5.25 -1.16 1.61 1.01 -1.02 -4.57 116.67 115.78 1xv3 s ASP 43 Ca 0.00 -0.27 -0.06 0.00 0.71 0.00 0.00 52.55 52.93 1xv3 s ASP 43 Cb 0.00 -1.28 0.01 0.00 1.01 0.00 0.00 42.92 42.66 1xv3 s ASP 43 CO 0.00 0.04 1.01 0.00 0.21 0.00 0.00 175.17 176.43 1xv3 n HIS 46 N -4.65 -0.11 -0.39 0.00 1.44 -1.26 -5.05 115.22 105.20 1xv3 n HIS 46 Ca -0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 1xv3 n HIS 46 Cb 0.32 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.43 1xv3 n HIS 46 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42