#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwv s SER 2 N 0.00 4.96 0.00 1.61 1.04 -1.26 -4.97 113.70 115.07 2dwv s SER 2 Ca 0.00 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2dwv s SER 2 Cb 0.00 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.97 2dwv s SER 2 CO 0.00 -1.48 1.00 -1.20 0.98 0.00 0.00 173.24 172.54 2dwv n SER 3 N -2.82 2.92 0.00 7.02 7.64 -1.26 -4.79 113.62 122.34 2dwv n SER 3 Ca 0.08 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.13 2dwv n SER 3 Cb 0.60 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2dwv n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dwv n GLY 4 N 0.71 0.81 0.90 0.23 0.00 -1.26 -5.11 105.19 101.47 2dwv n GLY 4 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 2dwv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dwv n SER 5 N 0.00 0.79 -4.72 1.61 7.64 -1.26 -5.06 113.62 112.62 2dwv n SER 5 Ca 0.00 -1.38 -0.43 0.00 1.01 0.00 0.00 58.87 58.07 2dwv n SER 5 Cb 0.00 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 2dwv n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dwv n SER 6 N -2.56 3.81 -2.98 6.43 7.64 -1.26 -4.77 113.62 119.92 2dwv n SER 6 Ca 0.02 1.09 -0.15 0.00 1.01 0.00 0.00 58.87 60.84 2dwv n SER 6 Cb 0.14 -1.56 0.11 0.00 -1.01 0.00 0.00 64.21 61.90 2dwv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dwv n GLY 7 N 3.35 -1.71 0.22 0.23 0.00 -1.26 -5.01 105.19 101.00 2dwv n GLY 7 Ca 0.14 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 2dwv n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dwv h PRO 8 N 0.00 -0.45 -1.37 1.61 0.13 -2.08 -3.48 132.00 126.36 2dwv h PRO 8 Ca -0.21 0.03 0.31 0.00 -0.87 0.00 0.00 66.00 65.25 2dwv h PRO 8 Cb 0.61 0.10 -0.16 0.00 0.13 0.00 0.00 31.00 31.68 2dwv h PRO 8 CO 0.15 -0.19 0.86 -0.48 -0.23 0.00 0.00 178.00 178.11 2dwv s LEU 9 N -9.74 -0.08 0.83 1.56 0.05 -1.26 -5.19 118.68 104.85 2dwv s LEU 9 Ca -0.15 -0.06 -0.09 0.00 0.05 0.00 0.00 54.13 53.88 2dwv s LEU 9 Cb 0.03 1.31 0.14 0.00 -2.05 0.00 0.00 46.19 45.62 2dwv s LEU 9 CO 0.58 -0.21 1.16 -1.61 -0.55 0.00 0.00 176.35 175.72 2dwv s GLU 10 N -2.34 1.33 0.00 1.48 8.01 -1.26 -5.05 118.70 120.87 2dwv s GLU 10 Ca 0.12 -0.55 0.00 0.00 0.01 0.00 0.00 54.97 54.55 2dwv s GLU 10 Cb 0.02 -2.06 0.00 0.00 -4.31 0.00 0.00 34.13 27.78 2dwv s GLU 10 CO -0.04 -1.85 0.09 0.54 0.01 0.00 0.00 175.26 174.01 2dwv n ARG 11 N -3.30 5.03 -2.93 1.61 1.74 -1.26 -5.08 116.66 112.48 2dwv n ARG 11 Ca 0.13 -0.09 -0.21 0.00 -0.77 0.00 0.00 57.85 56.91 2dwv n ARG 11 Cb 0.60 -0.55 0.08 0.00 -1.02 0.00 0.00 32.46 31.57 2dwv n ARG 11 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2dwv s GLU 12 N -0.74 2.03 1.02 5.56 -1.05 -1.26 -5.13 118.70 119.12 2dwv s GLU 12 Ca 0.00 -1.59 -0.16 0.00 -0.15 0.00 0.00 54.97 53.07 2dwv s GLU 12 Cb 0.00 -2.55 0.20 0.00 -0.44 0.00 0.00 34.13 31.34 2dwv s GLU 12 CO 0.00 -1.13 1.18 0.20 0.95 0.00 0.00 175.26 176.47 2dwv s GLY 13 N -4.75 1.64 0.75 -3.83 0.00 -1.26 -5.03 107.32 94.85 2dwv s GLY 13 Ca 0.64 -0.86 -0.15 0.00 0.00 0.00 0.00 44.72 44.36 2dwv s GLY 13 CO 0.41 -0.14 1.21 1.08 0.00 0.00 0.00 173.10 175.67 2dwv s LEU 14 N -6.27 3.26 0.81 0.66 1.43 -1.26 -5.01 118.68 112.31 2dwv s LEU 14 Ca 0.69 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 56.06 2dwv s LEU 14 Cb -0.10 -4.59 0.08 0.00 0.03 0.00 0.00 46.19 41.61 2dwv s LEU 14 CO 0.54 -2.41 1.09 -2.16 0.23 0.00 0.00 176.35 173.64 2dwv s PRO 15 N -3.96 1.96 0.66 1.29 0.04 -1.26 -4.98 135.00 128.74 2dwv s PRO 15 Ca 0.75 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 2dwv s PRO 15 Cb -0.30 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 2dwv s PRO 15 CO 0.47 -1.76 1.24 -1.25 0.04 0.00 0.00 177.00 175.74 2dwv s PRO 16 N -5.03 2.52 0.00 0.56 0.04 -1.26 -2.72 135.00 129.12 2dwv s PRO 16 Ca 0.61 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2dwv s PRO 16 Cb -0.16 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2dwv s PRO 16 CO 0.55 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 176.43 2dwv n GLY 17 N 0.63 2.90 3.89 0.56 0.00 -1.26 -5.01 105.19 106.90 2dwv n GLY 17 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2dwv n GLY 17 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dwv s TRP 18 N -0.91 3.53 0.02 1.61 0.52 -1.10 -4.16 118.94 118.46 2dwv s TRP 18 Ca 0.00 0.95 -0.05 0.00 0.02 0.00 0.00 56.10 57.03 2dwv s TRP 18 Cb 0.00 -2.40 -0.01 0.00 -1.15 0.00 0.00 33.47 29.91 2dwv s TRP 18 CO 0.00 -0.26 0.08 -2.00 0.02 0.00 0.00 176.95 174.79 2dwv s GLU 19 N -4.45 0.50 -0.18 4.98 2.56 -1.15 -4.88 118.70 116.08 2dwv s GLU 19 Ca 0.50 -0.63 0.00 0.00 0.00 0.00 0.00 54.97 54.84 2dwv s GLU 19 Cb -0.10 0.20 0.01 0.00 2.00 0.00 0.00 34.13 36.23 2dwv s GLU 19 CO 0.41 -0.12 -0.16 0.50 -0.56 0.00 0.00 175.26 175.33 2dwv s ARG 20 N -2.03 3.11 -0.03 4.30 3.52 -1.26 -1.82 118.95 124.74 2dwv s ARG 20 Ca -0.10 -0.78 -0.14 0.00 -0.13 0.00 0.00 55.73 54.58 2dwv s ARG 20 Cb -0.05 -2.64 -0.05 0.00 -1.56 0.00 0.00 34.95 30.65 2dwv s ARG 20 CO -0.02 -0.13 0.37 0.08 -0.81 0.00 0.00 175.30 174.78 2dwv s VAL 21 N 1.16 5.12 -0.27 7.11 1.01 0.11 -4.98 120.40 129.66 2dwv s VAL 21 Ca 0.01 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2dwv s VAL 21 Cb -0.14 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.65 2dwv s VAL 21 CO -0.07 0.56 0.03 -1.83 0.00 0.00 0.00 175.10 173.79 2dwv s GLU 22 N -0.88 1.11 -0.03 2.72 -1.05 -1.26 -2.34 118.70 116.97 2dwv s GLU 22 Ca 0.22 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 2dwv s GLU 22 Cb -0.16 -2.38 0.03 0.00 -0.44 0.00 0.00 34.13 31.18 2dwv s GLU 22 CO 0.11 -0.79 0.01 -1.12 0.95 0.00 0.00 175.26 174.42 2dwv s SER 23 N 1.49 0.58 0.60 0.83 0.01 -0.94 -5.04 113.70 111.22 2dwv s SER 23 Ca 0.03 -0.02 0.37 0.00 1.31 0.00 0.00 55.95 57.64 2dwv s SER 23 Cb -0.18 -0.23 1.89 0.00 0.21 0.00 0.00 66.02 67.71 2dwv s SER 23 CO -0.14 -0.12 2.20 0.28 0.41 0.00 0.00 173.24 175.87 2dwv h SER 24 N 7.45 0.00 0.64 2.44 0.02 -1.99 0.28 113.55 122.39 2dwv h SER 24 Ca -0.38 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 2dwv h SER 24 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2dwv h SER 24 CO 0.43 0.03 -0.04 -0.08 -1.14 0.00 0.00 176.83 176.02 2dwv h GLU 25 N 0.00 0.00 0.00 3.45 4.57 -2.04 -3.35 114.58 117.21 2dwv h GLU 25 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2dwv h GLU 25 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2dwv h GLU 25 CO 0.00 0.04 -0.29 1.19 -1.18 0.00 0.00 179.01 178.78 2dwv n PHE 26 N -3.22 0.00 0.00 0.92 3.72 -0.88 -5.13 117.46 112.87 2dwv n PHE 26 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2dwv n PHE 26 Cb 0.25 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 2dwv n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dwv n GLY 27 N 1.18 1.22 2.96 1.37 0.00 0.94 -4.94 105.19 107.92 2dwv n GLY 27 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 2dwv n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dwv s THR 28 N 0.00 -0.19 0.33 2.61 2.01 -1.26 -2.21 115.64 116.93 2dwv s THR 28 Ca 0.00 0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.29 2dwv s THR 28 Cb 0.00 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 2dwv s THR 28 CO 0.00 0.10 0.20 -0.72 -0.69 0.00 0.00 174.62 173.51 2dwv s TYR 29 N 1.78 1.68 0.12 4.92 1.13 -0.99 -4.87 117.35 121.12 2dwv s TYR 29 Ca -0.04 -1.47 0.06 0.00 -1.41 0.00 0.00 57.07 54.22 2dwv s TYR 29 Cb -0.11 -0.86 -0.04 0.00 -1.10 0.00 0.00 41.96 39.85 2dwv s TYR 29 CO -0.07 -0.61 -0.16 0.71 -2.51 0.00 0.00 175.55 172.91 2dwv s TYR 30 N -3.48 1.48 -0.03 -3.49 1.51 0.44 -0.71 117.35 113.06 2dwv s TYR 30 Ca 0.35 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 2dwv s TYR 30 Cb 0.03 -0.78 0.00 0.00 -0.11 0.00 0.00 41.96 41.11 2dwv s TYR 30 CO 0.20 0.17 -0.11 0.08 -1.11 0.00 0.00 175.55 174.78 2dwv s VAL 31 N -1.87 0.95 -0.51 0.71 1.01 -0.75 -1.09 120.40 118.85 2dwv s VAL 31 Ca 0.08 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 2dwv s VAL 31 Cb -0.06 -0.84 0.10 0.00 0.00 0.00 0.00 36.38 35.58 2dwv s VAL 31 CO 0.04 0.29 0.45 -0.62 0.00 0.00 0.00 175.10 175.26 2dwv s ASP 32 N 0.22 6.17 0.54 3.32 -1.08 -0.20 -2.93 116.67 122.72 2dwv s ASP 32 Ca -0.04 -1.54 0.33 0.00 -0.52 0.00 0.00 52.55 50.78 2dwv s ASP 32 Cb -0.10 -2.20 1.32 0.00 -1.46 0.00 0.00 42.92 40.48 2dwv s ASP 32 CO 0.01 -0.76 1.97 0.45 0.52 0.00 0.00 175.17 177.36 2dwv h HIS 33 N 8.83 0.00 -0.00 -5.34 3.86 -1.85 0.37 115.15 121.01 2dwv h HIS 33 Ca -0.29 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.74 2dwv h HIS 33 Cb 1.10 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 2dwv h HIS 33 CO 0.69 0.02 -0.83 1.15 0.86 0.00 0.00 177.93 179.82 2dwv h THR 34 N 0.00 1.53 -0.00 2.45 2.02 -1.92 -3.33 112.91 113.65 2dwv h THR 34 Ca -0.00 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.54 2dwv h THR 34 Cb 0.53 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 2dwv h THR 34 CO 0.00 0.76 -0.03 0.59 0.37 0.00 0.00 175.52 177.22 2dwv n ASN 35 N -3.64 0.93 -3.79 4.18 3.02 -1.14 -5.02 115.26 109.81 2dwv n ASN 35 Ca -0.02 -0.97 -0.25 0.00 -0.03 0.00 0.00 54.58 53.32 2dwv n ASN 35 Cb 0.78 0.26 0.03 0.00 -0.61 0.00 0.00 39.78 40.24 2dwv n ASN 35 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2dwv n LYS 36 N -0.16 -5.12 -4.55 3.52 4.76 0.13 -5.01 118.16 111.72 2dwv n LYS 36 Ca 0.01 0.61 -0.27 0.00 -2.87 0.00 0.00 58.31 55.79 2dwv n LYS 36 Cb 0.06 -5.28 -0.10 0.00 -1.84 0.00 0.00 35.03 27.87 2dwv n LYS 36 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2dwv s ARG 37 N -6.24 1.92 0.06 1.97 0.52 -1.07 -4.98 118.95 111.13 2dwv s ARG 37 Ca 0.25 -2.00 0.05 0.00 -0.52 0.00 0.00 55.73 53.52 2dwv s ARG 37 Cb -0.13 -1.70 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 2dwv s ARG 37 CO 0.82 0.04 -0.15 0.00 0.02 0.00 0.00 175.30 176.04 2dwv s ALA 38 N -2.65 1.23 0.01 2.13 0.00 -1.26 -1.03 121.76 120.19 2dwv s ALA 38 Ca 0.34 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 2dwv s ALA 38 Cb 0.06 -0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.10 2dwv s ALA 38 CO 0.18 0.20 0.55 1.14 0.00 0.00 0.00 175.76 177.82 2dwv s GLN 39 N -1.58 1.01 0.00 0.00 -2.07 -0.25 -5.01 119.66 111.76 2dwv s GLN 39 Ca -0.00 -0.09 0.29 0.00 -1.82 0.00 0.00 55.36 53.74 2dwv s GLN 39 Cb -0.09 0.46 1.37 0.00 -1.09 0.00 0.00 33.01 33.66 2dwv s GLN 39 CO 0.02 -0.34 1.92 0.66 -1.32 0.00 0.00 175.29 176.23 2dwv n TYR 40 N 0.63 0.00 -4.44 9.60 4.01 -1.26 -0.42 117.16 125.28 2dwv n TYR 40 Ca -0.19 -0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.30 2dwv n TYR 40 Cb 0.59 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.52 2dwv n TYR 40 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2dwv s ARG 41 N -2.00 1.89 0.44 -0.72 1.81 -1.26 -4.83 118.95 114.29 2dwv s ARG 41 Ca 0.42 -1.78 -0.25 0.00 -1.72 0.00 0.00 55.73 52.40 2dwv s ARG 41 Cb 0.21 -1.83 -0.08 0.00 -0.45 0.00 0.00 34.95 32.80 2dwv s ARG 41 CO 0.35 0.22 1.30 -1.58 -0.68 0.00 0.00 175.30 174.91 2dwv s HIS 42 N -2.53 2.71 0.00 -0.53 2.46 -1.26 -4.70 115.29 111.43 2dwv s HIS 42 Ca 0.32 1.41 0.00 0.00 0.47 0.00 0.00 55.06 57.26 2dwv s HIS 42 Cb -0.01 -3.66 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 2dwv s HIS 42 CO 0.17 -2.20 0.00 -0.35 -2.47 0.00 0.00 174.74 169.89 2dwv n PRO 43 N -0.20 -0.38 -4.13 2.88 -0.04 -1.26 -5.12 135.00 126.74 2dwv n PRO 43 Ca 0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2dwv n PRO 43 Cb 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 2dwv n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dwv s SER 44 N -1.33 0.83 0.27 3.54 0.15 -1.26 -5.07 113.70 110.82 2dwv s SER 44 Ca 0.00 -1.01 0.02 0.00 0.70 0.00 0.00 55.95 55.66 2dwv s SER 44 Cb 0.00 0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.41 2dwv s SER 44 CO 0.00 -0.53 0.10 -0.83 1.20 0.00 0.00 173.24 173.18 2dwv s GLY 45 N -2.99 1.81 0.00 9.45 0.00 -1.26 -5.02 107.32 109.31 2dwv s GLY 45 Ca 0.10 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.96 2dwv s GLY 45 CO -0.07 -1.62 0.00 -1.55 0.00 0.00 0.00 173.10 169.86 2dwv n PRO 46 N -0.50 1.95 -4.13 2.90 -0.04 -1.26 -5.12 135.00 128.80 2dwv n PRO 46 Ca -0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.36 2dwv n PRO 46 Cb 0.66 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 34.02 2dwv n PRO 46 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dwv s SER 47 N -1.09 0.87 0.00 3.54 0.01 -1.26 -5.06 113.70 110.71 2dwv s SER 47 Ca 0.00 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2dwv s SER 47 Cb 0.00 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2dwv s SER 47 CO 0.00 -0.50 0.00 -0.24 0.41 0.00 0.00 173.24 172.91 2dwv n SER 48 N 0.13 2.89 0.00 2.44 2.88 -1.26 -5.26 113.62 115.44 2dwv n SER 48 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2dwv n SER 48 Cb 0.60 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 2dwv n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42