#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 -6.24 -4.90 0.26 2.88 -1.26 -4.97 113.62 99.38 1xv3 n SER 2 Ca 0.00 -0.64 -0.28 0.00 -1.33 0.00 0.00 58.87 56.62 1xv3 n SER 2 Cb 0.00 -3.87 0.02 0.00 -0.75 0.00 0.00 64.21 59.62 1xv3 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1xv3 s SER 3 N -3.19 5.79 0.00 -3.46 0.01 -1.26 -5.07 113.70 106.52 1xv3 s SER 3 Ca 0.20 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.37 1xv3 s SER 3 Cb -0.06 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1xv3 s SER 3 CO 0.82 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1xv3 n GLY 4 N -2.61 1.43 3.64 3.44 0.00 -1.26 -5.07 105.19 104.76 1xv3 n GLY 4 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.04 -0.92 -0.11 1.61 6.14 -1.26 -5.17 117.35 117.69 1xv3 s TYR 5 Ca 0.00 1.98 -0.08 0.00 0.64 0.00 0.00 57.07 59.62 1xv3 s TYR 5 Cb 0.00 0.47 0.04 0.00 0.42 0.00 0.00 41.96 42.89 1xv3 s TYR 5 CO 0.00 -0.45 0.28 0.99 0.64 0.00 0.00 175.55 177.01 1xv3 s THR 6 N 1.07 -0.02 -0.46 4.34 2.01 -1.26 -5.09 115.64 116.22 1xv3 s THR 6 Ca -0.05 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.09 1xv3 s THR 6 Cb -0.05 -0.42 0.23 0.00 0.01 0.00 0.00 72.50 72.27 1xv3 s THR 6 CO -0.11 0.03 0.71 -1.14 -0.69 0.00 0.00 174.62 173.42 1xv3 n ARG 7 N 3.72 0.66 -1.61 4.92 3.00 -1.26 -5.14 116.66 120.95 1xv3 n ARG 7 Ca -0.20 -2.33 -0.31 0.00 -0.00 0.00 0.00 57.85 55.02 1xv3 n ARG 7 Cb 0.55 -1.42 0.06 0.00 0.00 0.00 0.00 32.46 31.66 1xv3 n ARG 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xv3 s PRO 8 N 0.15 2.68 0.51 -0.14 0.04 -1.26 -5.00 135.00 131.99 1xv3 s PRO 8 Ca 0.33 0.78 -0.23 0.00 0.04 0.00 0.00 61.00 61.92 1xv3 s PRO 8 Cb 0.16 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 1xv3 s PRO 8 CO -0.17 -1.24 1.38 -0.51 0.04 0.00 0.00 177.00 176.50 1xv3 s LEU 9 N -5.58 3.94 -0.01 -3.56 1.43 -1.26 -5.02 118.68 108.61 1xv3 s LEU 9 Ca 0.59 2.81 0.00 0.00 -1.03 0.00 0.00 54.13 56.50 1xv3 s LEU 9 Cb -0.14 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 41.93 1xv3 s LEU 9 CO 0.54 -1.44 -0.01 -0.60 0.23 0.00 0.00 176.35 175.08 1xv3 s ARG 10 N -2.75 0.11 0.76 1.70 3.52 -1.26 -5.15 118.95 115.88 1xv3 s ARG 10 Ca 0.68 -0.01 -0.11 0.00 -0.13 0.00 0.00 55.73 56.15 1xv3 s ARG 10 Cb -0.41 -0.16 0.05 0.00 -1.56 0.00 0.00 34.95 32.87 1xv3 s ARG 10 CO 0.50 -0.01 1.09 0.15 -0.81 0.00 0.00 175.30 176.22 1xv3 s LYS 11 N 0.18 2.37 0.00 5.12 1.02 -1.26 -5.07 119.74 122.10 1xv3 s LYS 11 Ca -0.01 0.72 0.00 0.00 0.02 0.00 0.00 55.97 56.70 1xv3 s LYS 11 Cb -0.03 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1xv3 s LYS 11 CO -0.01 -1.44 0.00 -0.35 -0.92 0.00 0.00 175.35 172.64 1xv3 n PRO 12 N -3.32 0.20 -1.70 -1.68 -0.04 -1.26 -4.94 135.00 122.25 1xv3 n PRO 12 Ca 0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 1xv3 n PRO 12 Cb 0.55 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.98 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 -2.03 3.83 -4.84 3.54 7.64 -1.26 -4.96 113.62 115.53 1xv3 n SER 13 Ca 0.00 1.05 -0.32 0.00 1.01 0.00 0.00 58.87 60.61 1xv3 n SER 13 Cb 0.00 -1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 61.62 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 1.44 3.97 0.71 1.43 1.81 -1.26 -5.04 118.95 122.01 1xv3 s ARG 14 Ca 0.77 0.94 -0.11 0.00 -1.72 0.00 0.00 55.73 55.60 1xv3 s ARG 14 Cb -0.54 -2.17 0.02 0.00 -0.45 0.00 0.00 34.95 31.82 1xv3 s ARG 14 CO 0.34 -0.22 1.07 -1.25 -0.68 0.00 0.00 175.30 174.57 1xv3 s PRO 15 N -3.92 2.73 0.89 3.54 0.04 -1.26 -5.03 135.00 131.99 1xv3 s PRO 15 Ca 0.59 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 1xv3 s PRO 15 Cb -0.10 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.61 1xv3 s PRO 15 CO 0.29 -1.27 1.09 0.96 0.04 0.00 0.00 177.00 178.11 1xv3 s ILE 16 N -2.90 2.64 0.11 0.56 -5.25 -1.26 -5.07 121.20 110.02 1xv3 s ILE 16 Ca 0.60 0.21 -0.26 0.00 -0.99 0.00 0.00 60.65 60.21 1xv3 s ILE 16 Cb -0.16 -2.75 0.07 0.00 2.95 0.00 0.00 42.46 42.58 1xv3 s ILE 16 CO 0.53 -0.27 0.84 0.12 -1.79 0.00 0.00 174.94 174.36 1xv3 s PHE 17 N -2.99 -0.30 1.00 1.37 5.36 -1.26 -5.17 117.98 116.00 1xv3 s PHE 17 Ca 0.63 0.06 -0.12 0.00 -0.96 0.00 0.00 56.93 56.54 1xv3 s PHE 17 Cb -0.17 0.59 0.19 0.00 -0.34 0.00 0.00 43.02 43.29 1xv3 s PHE 17 CO 0.56 -0.77 1.09 0.96 -1.46 0.00 0.00 175.22 175.60 1xv3 s ILE 18 N -3.39 2.18 0.53 3.12 -4.36 -1.26 -5.03 121.20 112.99 1xv3 s ILE 18 Ca 0.07 0.06 -0.04 0.00 -0.26 0.00 0.00 60.65 60.48 1xv3 s ILE 18 Cb -0.02 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.21 1xv3 s ILE 18 CO -0.04 -0.07 0.81 0.00 0.24 0.00 0.00 174.94 175.87 1xv3 s ARG 19 N -4.89 3.03 0.98 0.37 1.70 -1.26 -5.08 118.95 113.80 1xv3 s ARG 19 Ca 0.65 -0.16 -0.12 0.00 -0.47 0.00 0.00 55.73 55.63 1xv3 s ARG 19 Cb -0.19 -2.39 0.18 0.00 -0.57 0.00 0.00 34.95 31.98 1xv3 s ARG 19 CO 0.58 -0.50 1.10 -1.25 -1.08 0.00 0.00 175.30 174.16 1xv3 s PRO 20 N -4.81 0.61 0.86 3.89 0.04 -1.26 -5.03 135.00 129.30 1xv3 s PRO 20 Ca 0.51 0.48 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 1xv3 s PRO 20 Cb -0.10 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.78 1xv3 s PRO 20 CO 0.42 -2.60 1.10 0.42 0.04 0.00 0.00 177.00 176.38 1xv3 s ILE 21 N -3.03 2.76 0.00 0.56 -1.09 -1.26 -4.25 121.20 114.89 1xv3 s ILE 21 Ca 0.65 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 59.32 1xv3 s ILE 21 Cb -0.18 -2.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1xv3 s ILE 21 CO 0.57 -0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 1xv3 n GLY 22 N -1.59 2.60 0.20 6.18 0.00 -1.26 -4.74 105.19 106.59 1xv3 n GLY 22 Ca 0.07 -0.71 0.07 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 -3.59 0.00 -3.13 0.00 8.00 -1.26 -4.01 116.55 112.56 1xv3 n ASP 24 Ca -0.01 -1.16 -0.21 0.00 0.71 0.00 0.00 54.79 54.12 1xv3 n ASP 24 Cb 0.44 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.49 1xv3 n ASP 24 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1xv3 n VAL 25 N -0.81 -0.57 0.02 2.53 0.31 -0.99 -4.96 118.33 113.87 1xv3 n VAL 25 Ca 0.13 -3.70 0.22 0.00 -0.01 0.00 0.00 64.34 60.98 1xv3 n VAL 25 Cb 0.06 -1.37 0.70 0.00 -0.91 0.00 0.00 33.84 32.32 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 -4.60 3.07 0.00 0.00 2.02 -1.26 -4.45 117.35 112.13 1xv3 s TYR 27 Ca -0.04 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1xv3 s TYR 27 Cb 0.16 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 1xv3 s TYR 27 CO 0.54 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.73 1xv3 n GLY 28 N 4.22 1.28 3.84 0.71 0.00 -1.26 -5.09 105.19 108.90 1xv3 n GLY 28 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.64 3.60 0.60 -0.61 -4.36 -1.25 -5.03 121.20 112.51 1xv3 s ILE 29 Ca 0.00 0.52 -0.16 0.00 -0.26 0.00 0.00 60.65 60.75 1xv3 s ILE 29 Cb 0.00 -3.38 -0.03 0.00 1.25 0.00 0.00 42.46 40.29 1xv3 s ILE 29 CO 0.00 -0.68 1.07 -2.16 0.24 0.00 0.00 174.94 173.41 1xv3 s PRO 30 N -5.21 3.26 0.24 0.37 0.04 -1.26 -4.83 135.00 127.62 1xv3 s PRO 30 Ca 0.59 1.25 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 1xv3 s PRO 30 Cb -0.13 -2.02 0.34 0.00 0.04 0.00 0.00 34.50 32.73 1xv3 s PRO 30 CO 0.53 -0.86 1.86 1.03 0.04 0.00 0.00 177.00 179.61 1xv3 h SER 31 N 0.45 0.89 -0.43 6.66 0.87 -1.98 0.58 113.55 120.59 1xv3 h SER 31 Ca -0.47 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1xv3 h SER 31 Cb 1.23 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1xv3 h SER 31 CO 0.57 0.58 0.27 -1.28 -0.53 0.00 0.00 176.83 176.44 1xv3 h SER 32 N 1.03 0.51 -0.49 6.23 0.87 -2.00 0.79 113.55 120.49 1xv3 h SER 32 Ca 0.38 -0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.78 1xv3 h SER 32 Cb 0.14 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1xv3 h SER 32 CO -0.16 0.40 -0.17 0.74 -0.53 0.00 0.00 176.83 177.11 1xv3 h THR 33 N 0.58 1.27 -0.76 2.23 2.02 -1.82 -2.38 112.91 114.05 1xv3 h THR 33 Ca 0.16 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 66.03 1xv3 h THR 33 Cb -0.02 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1xv3 h THR 33 CO -0.03 0.46 0.49 0.00 0.37 0.00 0.00 175.52 176.81 1xv3 h ALA 34 N 0.88 0.98 -0.53 6.16 0.00 -0.43 0.21 119.26 126.53 1xv3 h ALA 34 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xv3 h ALA 34 Cb 0.74 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1xv3 h ALA 34 CO 0.06 0.33 0.22 0.00 0.00 0.00 0.00 179.25 179.86 1xv3 h ARG 35 N 0.99 0.79 -0.68 0.00 3.08 -0.67 -1.54 114.38 116.35 1xv3 h ARG 35 Ca 0.29 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1xv3 h ARG 35 Cb -0.05 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 1xv3 h ARG 35 CO -0.09 0.68 0.16 1.25 -1.07 0.00 0.00 179.97 180.90 1xv3 h LEU 36 N 0.72 1.04 -1.56 3.04 6.46 -0.88 0.16 115.31 124.29 1xv3 h LEU 36 Ca 0.18 -0.24 -0.05 0.00 -0.12 0.00 0.00 57.88 57.65 1xv3 h LEU 36 Cb 0.18 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 1xv3 h LEU 36 CO -0.02 1.01 -0.21 0.00 -0.62 0.00 0.00 178.44 178.61 1xv3 h PHE 39 N 0.07 1.00 0.00 0.00 3.57 -0.46 -2.66 116.94 118.46 1xv3 h PHE 39 Ca -0.30 -0.31 -0.05 0.00 3.53 0.00 0.00 57.97 60.84 1xv3 h PHE 39 Cb 2.04 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.57 1xv3 h PHE 39 CO 0.07 1.11 -1.02 0.54 -2.23 0.00 0.00 178.31 176.78 1xv3 n ARG 40 N -4.03 0.52 0.12 1.11 1.74 -0.02 -4.68 116.66 111.42 1xv3 n ARG 40 Ca -0.02 0.31 -0.19 0.00 -0.77 0.00 0.00 57.85 57.18 1xv3 n ARG 40 Cb 0.56 -1.52 -0.15 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.69 0.00 -1.55 -1.99 -1.53 -3.48 116.97 108.11 1xv3 h TYR 41 Ca -0.08 -0.50 0.00 0.00 2.00 0.00 0.00 58.73 60.15 1xv3 h TYR 41 Cb 0.93 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.64 1xv3 h TYR 41 CO -0.32 1.39 0.00 0.41 -0.00 0.00 0.00 178.16 179.64 1xv3 n GLY 42 N 1.59 0.98 3.80 3.88 0.00 0.14 -4.96 105.19 110.63 1xv3 n GLY 42 Ca -0.12 -0.01 -0.22 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 -2.01 5.40 -1.26 1.61 1.01 -0.66 -4.56 116.67 116.19 1xv3 s ASP 43 Ca 0.00 -0.30 -0.07 0.00 0.71 0.00 0.00 52.55 52.88 1xv3 s ASP 43 Cb 0.00 -1.33 0.01 0.00 1.01 0.00 0.00 42.92 42.61 1xv3 s ASP 43 CO 0.00 -0.04 1.10 0.00 0.21 0.00 0.00 175.17 176.44 1xv3 s HIS 46 N -2.19 4.07 -2.52 0.00 3.76 -1.26 -5.11 115.29 112.04 1xv3 s HIS 46 Ca -0.14 -2.51 0.28 0.00 -0.15 0.00 0.00 55.06 52.53 1xv3 s HIS 46 Cb 0.02 -3.77 1.02 0.00 1.11 0.00 0.00 32.58 30.95 1xv3 s HIS 46 CO 0.21 -0.94 1.73 1.28 -0.85 0.00 0.00 174.74 176.16