#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 0.27 -0.39 0.26 0.01 -1.26 -5.12 113.70 107.48 1xv3 s SER 2 Ca 0.00 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.86 1xv3 s SER 2 Cb 0.00 0.07 0.13 0.00 0.21 0.00 0.00 66.02 66.43 1xv3 s SER 2 CO 0.00 -0.23 0.19 -0.55 0.41 0.00 0.00 173.24 173.06 1xv3 s SER 3 N -1.20 3.62 0.00 2.44 0.15 -1.26 -5.07 113.70 112.39 1xv3 s SER 3 Ca -0.12 -2.26 0.00 0.00 0.70 0.00 0.00 55.95 54.26 1xv3 s SER 3 Cb -0.08 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 1xv3 s SER 3 CO -0.01 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1xv3 n GLY 4 N 4.01 0.38 3.92 9.45 0.00 -1.26 -5.12 105.19 116.57 1xv3 n GLY 4 Ca 0.06 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.34 3.50 -0.05 1.61 5.04 -1.26 -5.11 117.35 117.74 1xv3 s TYR 5 Ca 0.00 0.25 0.06 0.00 -2.44 0.00 0.00 57.07 54.94 1xv3 s TYR 5 Cb 0.00 -1.77 -0.01 0.00 0.35 0.00 0.00 41.96 40.53 1xv3 s TYR 5 CO 0.00 0.54 -0.25 0.99 -1.34 0.00 0.00 175.55 175.50 1xv3 s THR 6 N -1.60 2.10 0.39 4.34 2.01 -1.26 -5.12 115.64 116.50 1xv3 s THR 6 Ca 0.36 -1.06 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 1xv3 s THR 6 Cb -0.12 -1.76 -0.11 0.00 0.01 0.00 0.00 72.50 70.53 1xv3 s THR 6 CO 0.28 0.57 0.93 0.00 -0.69 0.00 0.00 174.62 175.71 1xv3 s ARG 7 N -0.23 4.32 0.75 4.92 3.03 -1.26 -5.04 118.95 125.44 1xv3 s ARG 7 Ca -0.02 1.15 -0.11 0.00 2.03 0.00 0.00 55.73 58.79 1xv3 s ARG 7 Cb -0.13 -2.38 0.04 0.00 -1.03 0.00 0.00 34.95 31.45 1xv3 s ARG 7 CO 0.03 0.08 1.08 -1.25 -1.13 0.00 0.00 175.30 174.11 1xv3 s PRO 8 N -2.83 2.44 0.55 3.89 0.04 -1.26 -4.99 135.00 132.84 1xv3 s PRO 8 Ca 0.58 1.09 -0.21 0.00 0.04 0.00 0.00 61.00 62.51 1xv3 s PRO 8 Cb -0.12 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1xv3 s PRO 8 CO 0.16 -1.49 1.23 -1.17 0.04 0.00 0.00 177.00 175.78 1xv3 s LEU 9 N -5.81 3.80 -0.33 -3.56 0.20 -1.26 -4.88 118.68 106.84 1xv3 s LEU 9 Ca 0.60 2.46 -0.28 0.00 0.69 0.00 0.00 54.13 57.60 1xv3 s LEU 9 Cb -0.16 -4.43 -0.04 0.00 -0.43 0.00 0.00 46.19 41.13 1xv3 s LEU 9 CO 0.56 -1.42 2.09 -0.13 -0.29 0.00 0.00 176.35 177.16 1xv3 s ARG 10 N -3.07 2.99 -0.01 1.98 3.00 -1.26 -4.95 118.95 117.63 1xv3 s ARG 10 Ca 0.73 1.63 0.04 0.00 0.00 0.00 0.00 55.73 58.12 1xv3 s ARG 10 Cb -0.32 -4.35 -0.01 0.00 0.00 0.00 0.00 34.95 30.27 1xv3 s ARG 10 CO 0.37 -2.27 -0.12 0.21 0.00 0.00 0.00 175.30 173.49 1xv3 s LYS 11 N 6.49 0.98 0.00 3.54 2.20 -1.26 -5.15 119.74 126.54 1xv3 s LYS 11 Ca 0.91 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 1xv3 s LYS 11 Cb -0.25 -0.94 0.00 0.00 -1.51 0.00 0.00 37.83 35.12 1xv3 s LYS 11 CO 0.32 0.25 0.00 -0.35 -0.36 0.00 0.00 175.35 175.21 1xv3 n PRO 12 N 2.82 0.70 -3.74 4.03 -0.04 -1.26 -4.57 135.00 132.94 1xv3 n PRO 12 Ca -0.14 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.07 1xv3 n PRO 12 Cb 0.56 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.04 1xv3 n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xv3 n SER 13 N -0.56 -2.16 -4.93 3.54 2.88 -1.26 -4.97 113.62 106.17 1xv3 n SER 13 Ca 0.00 -0.91 -0.25 0.00 -1.33 0.00 0.00 58.87 56.38 1xv3 n SER 13 Cb 0.00 -3.69 0.02 0.00 -0.75 0.00 0.00 64.21 59.80 1xv3 n SER 13 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1xv3 s ARG 14 N -6.05 2.98 1.06 -1.46 0.52 -1.26 -5.09 118.95 109.65 1xv3 s ARG 14 Ca 0.13 -0.20 -0.18 0.00 -0.52 0.00 0.00 55.73 54.96 1xv3 s ARG 14 Cb -0.04 -2.39 0.26 0.00 0.52 0.00 0.00 34.95 33.29 1xv3 s ARG 14 CO 0.84 -0.52 1.10 -0.35 0.02 0.00 0.00 175.30 176.39 1xv3 n PRO 15 N -2.38 -2.33 -0.48 3.54 -0.04 -1.26 -5.04 135.00 127.02 1xv3 n PRO 15 Ca 0.03 -1.73 -0.30 0.00 -0.04 0.00 0.00 63.50 61.46 1xv3 n PRO 15 Cb 0.58 -1.43 0.28 0.00 -0.04 0.00 0.00 33.50 32.88 1xv3 n PRO 15 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1xv3 s ILE 16 N -3.17 1.40 0.71 0.52 -4.36 -1.26 -4.93 121.20 110.11 1xv3 s ILE 16 Ca 0.68 0.00 -0.16 0.00 -0.26 0.00 0.00 60.65 60.90 1xv3 s ILE 16 Cb -0.05 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.56 1xv3 s ILE 16 CO 0.50 0.00 1.05 0.49 0.24 0.00 0.00 174.94 177.22 1xv3 n PHE 17 N -5.42 0.98 -2.18 1.37 3.72 -1.26 -5.02 117.46 109.65 1xv3 n PHE 17 Ca 0.11 0.40 -0.06 0.00 -0.05 0.00 0.00 57.45 57.85 1xv3 n PHE 17 Cb 0.59 -2.12 0.03 0.00 -0.94 0.00 0.00 39.48 37.04 1xv3 n PHE 17 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1xv3 n ILE 18 N -2.45 0.00 -1.57 4.37 -5.35 -1.26 -5.02 119.36 108.08 1xv3 n ILE 18 Ca 0.14 -0.39 -0.41 0.00 -0.27 0.00 0.00 62.75 61.82 1xv3 n ILE 18 Cb 0.49 -1.34 0.02 0.00 -1.74 0.00 0.00 39.64 37.07 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 -1.52 1.09 -1.09 6.28 0.00 -1.26 -4.96 116.66 115.19 1xv3 n ARG 19 Ca 0.04 0.40 -0.29 0.00 -0.00 0.00 0.00 57.85 58.00 1xv3 n ARG 19 Cb 0.15 -1.94 0.21 0.00 -0.00 0.00 0.00 32.46 30.88 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 -2.06 -0.39 0.84 2.89 0.04 -1.26 -5.02 135.00 130.05 1xv3 s PRO 20 Ca 0.65 0.28 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1xv3 s PRO 20 Cb -0.54 -1.66 0.10 0.00 0.04 0.00 0.00 34.50 32.44 1xv3 s PRO 20 CO 0.55 -3.23 1.15 0.42 0.04 0.00 0.00 177.00 175.94 1xv3 s ILE 21 N -2.95 2.18 0.00 0.56 -1.09 -1.26 -4.33 121.20 114.31 1xv3 s ILE 21 Ca 0.68 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 1xv3 s ILE 21 Cb -0.15 -2.93 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1xv3 s ILE 21 CO 0.57 -0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1xv3 n GLY 22 N -2.75 2.53 0.18 6.18 0.00 -1.26 -4.68 105.19 105.39 1xv3 n GLY 22 Ca 0.07 -0.64 0.02 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 -4.06 1.09 -3.19 0.00 -0.08 -1.26 -4.10 116.55 104.95 1xv3 n ASP 24 Ca -0.02 -2.06 -0.21 0.00 -1.51 0.00 0.00 54.79 51.00 1xv3 n ASP 24 Cb 0.43 -0.24 -0.05 0.00 2.34 0.00 0.00 41.12 43.61 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 -0.04 -0.36 0.08 5.18 0.31 -0.86 -4.95 118.33 117.70 1xv3 n VAL 25 Ca 0.05 -4.36 0.20 0.00 -0.01 0.00 0.00 64.34 60.22 1xv3 n VAL 25 Cb 0.21 -0.97 0.65 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 -4.44 3.16 0.00 0.00 2.02 -1.26 -4.40 117.35 112.42 1xv3 s TYR 27 Ca -0.03 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 1xv3 s TYR 27 Cb 0.13 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 1xv3 s TYR 27 CO 0.45 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 1xv3 n GLY 28 N 3.98 1.49 3.90 0.71 0.00 -1.26 -5.08 105.19 108.92 1xv3 n GLY 28 Ca -0.17 0.00 -0.29 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 -1.80 4.13 0.60 -0.61 -4.36 -1.25 -5.05 121.20 112.86 1xv3 s ILE 29 Ca 0.00 0.36 -0.16 0.00 -0.26 0.00 0.00 60.65 60.60 1xv3 s ILE 29 Cb 0.00 -3.65 -0.03 0.00 1.25 0.00 0.00 42.46 40.03 1xv3 s ILE 29 CO 0.00 -0.75 1.07 -2.16 0.24 0.00 0.00 174.94 173.34 1xv3 s PRO 30 N -5.07 3.26 0.30 0.37 0.04 -1.26 -4.85 135.00 127.78 1xv3 s PRO 30 Ca 0.54 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.81 1xv3 s PRO 30 Cb -0.11 -2.02 0.49 0.00 0.04 0.00 0.00 34.50 32.90 1xv3 s PRO 30 CO 0.49 -0.87 1.92 1.03 0.04 0.00 0.00 177.00 179.61 1xv3 h SER 31 N 0.41 0.94 -0.38 6.66 0.87 -1.98 -0.42 113.55 119.65 1xv3 h SER 31 Ca -0.47 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.06 1xv3 h SER 31 Cb 1.22 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1xv3 h SER 31 CO 0.57 0.62 0.12 -1.28 -0.53 0.00 0.00 176.83 176.33 1xv3 h SER 32 N 1.07 0.55 -0.53 6.23 0.87 -2.00 -0.07 113.55 119.67 1xv3 h SER 32 Ca 0.38 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 1xv3 h SER 32 Cb 0.13 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1xv3 h SER 32 CO -0.13 0.60 0.03 0.74 -0.53 0.00 0.00 176.83 177.54 1xv3 h THR 33 N 0.47 1.26 -0.72 2.23 2.02 -1.82 -2.48 112.91 113.87 1xv3 h THR 33 Ca 0.12 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1xv3 h THR 33 Cb 0.25 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1xv3 h THR 33 CO -0.00 0.38 0.39 0.00 0.37 0.00 0.00 175.52 176.66 1xv3 h ALA 34 N 0.96 1.33 -0.29 6.16 0.00 -0.83 -0.28 119.26 126.31 1xv3 h ALA 34 Ca 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xv3 h ALA 34 Cb 0.49 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xv3 h ALA 34 CO 0.02 0.54 0.10 -0.09 0.00 0.00 0.00 179.25 179.83 1xv3 h ARG 35 N 1.01 0.45 -0.57 0.00 2.43 -0.71 -2.15 114.38 114.84 1xv3 h ARG 35 Ca 0.26 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1xv3 h ARG 35 Cb 0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1xv3 h ARG 35 CO -0.04 0.49 0.10 1.25 -1.51 0.00 0.00 179.97 180.26 1xv3 h LEU 36 N 0.32 0.86 -1.61 3.80 7.12 -1.05 -1.09 115.31 123.66 1xv3 h LEU 36 Ca 0.10 -0.18 -0.03 0.00 0.13 0.00 0.00 57.88 57.90 1xv3 h LEU 36 Cb 0.22 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 1xv3 h LEU 36 CO -0.00 0.86 -0.05 0.00 -0.13 0.00 0.00 178.44 179.12 1xv3 h PHE 39 N 0.08 0.87 0.00 0.00 3.57 -0.90 -2.77 116.94 117.79 1xv3 h PHE 39 Ca -0.24 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 1xv3 h PHE 39 Cb 2.04 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 40.59 1xv3 h PHE 39 CO 0.08 0.99 -1.03 0.54 -2.23 0.00 0.00 178.31 176.66 1xv3 n ARG 40 N -4.05 0.53 0.07 1.11 5.12 -0.31 -4.70 116.66 114.43 1xv3 n ARG 40 Ca -0.02 0.22 -0.20 0.00 -1.93 0.00 0.00 57.85 55.92 1xv3 n ARG 40 Cb 0.52 -1.44 -0.11 0.00 -1.16 0.00 0.00 32.46 30.27 1xv3 n ARG 40 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1xv3 h TYR 41 N -1.00 0.96 0.00 -1.55 0.05 -1.49 -3.48 116.97 110.46 1xv3 h TYR 41 Ca -0.02 -0.56 0.00 0.00 0.05 0.00 0.00 58.73 58.20 1xv3 h TYR 41 Cb 1.00 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.65 1xv3 h TYR 41 CO -0.42 1.40 0.00 0.41 -1.05 0.00 0.00 178.16 178.50 1xv3 n GLY 42 N 1.19 1.05 3.76 3.88 0.00 0.16 -4.96 105.19 110.26 1xv3 n GLY 42 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 5.19 -1.16 1.61 1.01 -0.91 -4.58 116.67 115.82 1xv3 s ASP 43 Ca 0.00 -0.36 -0.06 0.00 0.71 0.00 0.00 52.55 52.84 1xv3 s ASP 43 Cb 0.00 -1.22 0.01 0.00 1.01 0.00 0.00 42.92 42.72 1xv3 s ASP 43 CO 0.00 -0.01 1.00 0.00 0.21 0.00 0.00 175.17 176.38 1xv3 n HIS 46 N -4.34 4.22 0.88 0.00 8.25 -1.26 -5.10 115.22 117.87 1xv3 n HIS 46 Ca -0.06 -3.16 0.11 0.00 -0.26 0.00 0.00 57.72 54.34 1xv3 n HIS 46 Cb 0.22 -2.07 0.09 0.00 1.12 0.00 0.00 29.99 29.34 1xv3 n HIS 46 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87