#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 -0.82 -0.04 1.61 0.15 -1.26 -5.15 113.70 108.19 2dwv s SER 2 Ca 0.00 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.86 2dwv s SER 2 Cb 0.00 1.66 0.03 0.00 -1.71 0.00 0.00 66.02 66.00 2dwv s SER 2 CO 0.00 -0.18 -0.01 -0.55 1.20 0.00 0.00 173.24 173.70 2dwv s SER 3 N 2.10 0.75 0.00 5.45 0.15 -1.26 -5.09 113.70 115.80 2dwv s SER 3 Ca -0.07 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2dwv s SER 3 Cb -0.07 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2dwv s SER 3 CO -0.18 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2dwv n GLY 4 N 4.28 -1.77 3.84 9.45 0.00 -1.26 -4.97 105.19 114.76 2dwv n GLY 4 Ca -0.23 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 2dwv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dwv s SER 5 N -4.71 4.47 0.15 1.61 0.01 -1.26 -5.10 113.70 108.86 2dwv s SER 5 Ca 0.00 1.05 -0.14 0.00 1.31 0.00 0.00 55.95 58.17 2dwv s SER 5 Cb 0.00 -1.69 0.02 0.00 0.21 0.00 0.00 66.02 64.55 2dwv s SER 5 CO 0.00 -1.95 0.37 -0.55 0.41 0.00 0.00 173.24 171.52 2dwv s SER 6 N -4.21 -0.12 1.00 2.44 0.15 -1.26 -5.13 113.70 106.57 2dwv s SER 6 Ca 0.61 -0.55 -0.12 0.00 0.70 0.00 0.00 55.95 56.59 2dwv s SER 6 Cb -0.13 0.47 0.19 0.00 -1.71 0.00 0.00 66.02 64.84 2dwv s SER 6 CO 0.52 -0.90 1.10 -0.83 1.20 0.00 0.00 173.24 174.33 2dwv s GLY 7 N -2.87 1.56 0.02 9.45 0.00 -1.26 -4.99 107.32 109.23 2dwv s GLY 7 Ca 0.09 -0.38 -0.28 0.00 0.00 0.00 0.00 44.72 44.15 2dwv s GLY 7 CO -0.06 0.24 1.18 -0.56 0.00 0.00 0.00 173.10 173.89 2dwv h PRO 8 N -1.89 -0.96 -1.71 2.90 0.13 -2.03 -3.47 132.00 124.96 2dwv h PRO 8 Ca -0.55 0.07 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 2dwv h PRO 8 Cb 1.33 0.22 -0.24 0.00 0.13 0.00 0.00 31.00 32.44 2dwv h PRO 8 CO 0.58 -0.64 0.38 -0.48 -0.23 0.00 0.00 178.00 177.61 2dwv s LEU 9 N -9.62 -0.52 0.49 1.56 0.05 -1.26 -4.49 118.68 104.88 2dwv s LEU 9 Ca -0.15 0.88 0.02 0.00 0.05 0.00 0.00 54.13 54.93 2dwv s LEU 9 Cb 0.02 2.07 -0.02 0.00 -2.05 0.00 0.00 46.19 46.20 2dwv s LEU 9 CO 0.45 -0.25 0.02 -1.61 -0.55 0.00 0.00 176.35 174.40 2dwv s GLU 10 N -0.14 2.14 0.00 1.48 8.01 -1.26 -5.02 118.70 123.90 2dwv s GLU 10 Ca 0.00 -2.35 0.00 0.00 0.01 0.00 0.00 54.97 52.64 2dwv s GLU 10 Cb -0.04 -1.44 0.00 0.00 -4.31 0.00 0.00 34.13 28.35 2dwv s GLU 10 CO -0.02 -0.34 0.72 2.89 0.01 0.00 0.00 175.26 178.53 2dwv n ARG 11 N -1.19 1.29 -0.58 1.61 1.85 -1.26 -4.89 116.66 113.49 2dwv n ARG 11 Ca -0.16 -0.98 -0.30 0.00 -1.00 0.00 0.00 57.85 55.40 2dwv n ARG 11 Cb 0.67 -0.89 0.21 0.00 -1.05 0.00 0.00 32.46 31.40 2dwv n ARG 11 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2dwv n GLU 12 N -0.26 -1.64 -1.95 2.89 -0.58 -1.26 -4.91 120.64 112.93 2dwv n GLU 12 Ca 0.00 -0.44 -0.42 0.00 -0.42 0.00 0.00 57.16 55.88 2dwv n GLU 12 Cb 0.22 -2.14 -0.03 0.00 -0.57 0.00 0.00 31.44 28.92 2dwv n GLU 12 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2dwv s GLY 13 N -2.36 1.54 0.52 0.62 0.00 -1.26 -5.01 107.32 101.37 2dwv s GLY 13 Ca 0.66 1.06 -0.11 0.00 0.00 0.00 0.00 44.72 46.32 2dwv s GLY 13 CO 0.64 3.05 0.91 1.08 0.00 0.00 0.00 173.10 178.78 2dwv s LEU 14 N 3.70 3.53 0.75 0.66 1.43 -1.26 -5.04 118.68 122.46 2dwv s LEU 14 Ca 0.75 1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 2dwv s LEU 14 Cb -0.36 -4.26 0.04 0.00 0.03 0.00 0.00 46.19 41.64 2dwv s LEU 14 CO 0.32 -0.64 1.08 -2.16 0.23 0.00 0.00 176.35 175.17 2dwv s PRO 15 N -4.55 2.47 0.01 1.29 0.04 -1.26 -4.97 135.00 128.03 2dwv s PRO 15 Ca 0.53 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 2dwv s PRO 15 Cb -0.10 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 2dwv s PRO 15 CO 0.42 -1.42 1.57 -1.25 0.04 0.00 0.00 177.00 176.36 2dwv s PRO 16 N -5.05 4.22 0.00 0.56 0.04 -1.26 -2.43 135.00 131.08 2dwv s PRO 16 Ca 0.60 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2dwv s PRO 16 Cb -0.15 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2dwv s PRO 16 CO 0.55 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2dwv n GLY 17 N 3.91 1.43 3.84 0.56 0.00 -1.26 -5.09 105.19 108.57 2dwv n GLY 17 Ca 0.15 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.08 3.38 -0.00 1.61 0.52 -1.02 -3.84 118.94 118.50 2dwv s TRP 18 Ca 0.00 1.46 0.02 0.00 0.02 0.00 0.00 56.10 57.60 2dwv s TRP 18 Cb 0.00 -2.75 -0.01 0.00 -1.15 0.00 0.00 33.47 29.56 2dwv s TRP 18 CO 0.00 -0.16 -0.06 -2.00 0.02 0.00 0.00 176.95 174.74 2dwv s GLU 19 N -3.49 0.49 -0.17 4.98 2.56 -0.88 -4.85 118.70 117.34 2dwv s GLU 19 Ca 0.59 -0.26 -0.07 0.00 0.00 0.00 0.00 54.97 55.23 2dwv s GLU 19 Cb -0.10 -0.46 -0.04 0.00 2.00 0.00 0.00 34.13 35.54 2dwv s GLU 19 CO 0.21 0.12 0.07 0.50 -0.56 0.00 0.00 175.26 175.61 2dwv s ARG 20 N -0.27 3.84 -0.07 4.30 3.52 -1.26 -1.41 118.95 127.60 2dwv s ARG 20 Ca 0.01 -0.31 0.04 0.00 -0.13 0.00 0.00 55.73 55.34 2dwv s ARG 20 Cb -0.03 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 2dwv s ARG 20 CO -0.00 0.39 -0.19 0.08 -0.81 0.00 0.00 175.30 174.77 2dwv s VAL 21 N 0.06 2.63 0.02 7.11 1.01 0.07 -5.01 120.40 126.30 2dwv s VAL 21 Ca 0.06 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.27 2dwv s VAL 21 Cb -0.12 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 2dwv s VAL 21 CO 0.00 0.57 -0.25 -1.83 0.00 0.00 0.00 175.10 173.60 2dwv s GLU 22 N -0.27 1.81 -0.09 2.72 -1.05 -1.26 -0.81 118.70 119.75 2dwv s GLU 22 Ca 0.01 -0.98 -0.21 0.00 -0.15 0.00 0.00 54.97 53.64 2dwv s GLU 22 Cb -0.13 -1.88 0.05 0.00 -0.44 0.00 0.00 34.13 31.73 2dwv s GLU 22 CO 0.03 0.50 0.49 0.45 0.95 0.00 0.00 175.26 177.67 2dwv s SER 23 N -0.94 -0.45 0.14 0.83 0.15 0.31 -4.94 113.70 108.80 2dwv s SER 23 Ca 0.10 0.61 0.24 0.00 0.70 0.00 0.00 55.95 57.60 2dwv s SER 23 Cb -0.10 0.64 0.91 0.00 -1.71 0.00 0.00 66.02 65.77 2dwv s SER 23 CO 0.01 -0.40 1.72 -1.20 1.20 0.00 0.00 173.24 174.57 2dwv n SER 24 N 1.73 0.44 -0.13 5.45 7.64 -1.26 -0.57 113.62 126.92 2dwv n SER 24 Ca -0.18 0.57 -0.23 0.00 1.01 0.00 0.00 58.87 60.04 2dwv n SER 24 Cb 0.56 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.98 2dwv n SER 24 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2dwv n GLU 25 N -1.95 0.58 0.05 1.43 4.07 -1.26 -4.67 120.64 118.88 2dwv n GLU 25 Ca 0.04 0.20 0.11 0.00 -0.06 0.00 0.00 57.16 57.46 2dwv n GLU 25 Cb 0.30 -1.45 -0.03 0.00 -0.06 0.00 0.00 31.44 30.19 2dwv n GLU 25 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2dwv n PHE 26 N -3.76 0.49 0.00 4.31 3.72 -1.24 -5.04 117.46 115.95 2dwv n PHE 26 Ca -0.48 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 2dwv n PHE 26 Cb 0.91 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 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 1.27 1.39 3.35 1.37 0.00 0.26 -4.77 105.19 108.06 2dwv n GLY 27 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.41 0.31 2.61 2.01 -1.26 -0.53 115.64 118.37 2dwv s THR 28 Ca 0.00 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.16 2dwv s THR 28 Cb 0.00 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 2dwv s THR 28 CO 0.00 0.04 0.24 -0.72 -0.69 0.00 0.00 174.62 173.49 2dwv s TYR 29 N 2.14 1.63 0.06 4.92 1.13 0.01 -4.88 117.35 122.35 2dwv s TYR 29 Ca -0.06 -1.58 0.05 0.00 -1.41 0.00 0.00 57.07 54.07 2dwv s TYR 29 Cb -0.10 -0.71 -0.03 0.00 -1.10 0.00 0.00 41.96 40.03 2dwv s TYR 29 CO -0.14 -0.79 -0.14 0.71 -2.51 0.00 0.00 175.55 172.67 2dwv s TYR 30 N -3.59 1.25 -0.03 -3.49 2.02 0.17 -0.75 117.35 112.93 2dwv s TYR 30 Ca 0.40 -0.41 0.04 0.00 -0.37 0.00 0.00 57.07 56.72 2dwv s TYR 30 Cb 0.03 -0.72 -0.00 0.00 -0.40 0.00 0.00 41.96 40.87 2dwv s TYR 30 CO 0.24 0.05 -0.13 0.08 -1.57 0.00 0.00 175.55 174.22 2dwv s VAL 31 N -1.07 1.07 -0.34 0.71 1.01 -0.50 -0.98 120.40 120.30 2dwv s VAL 31 Ca -0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 2dwv s VAL 31 Cb -0.09 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2dwv s VAL 31 CO 0.02 0.31 0.27 -0.62 0.00 0.00 0.00 175.10 175.09 2dwv s ASP 32 N -0.03 6.09 0.00 3.32 2.15 -0.04 -2.08 116.67 126.09 2dwv s ASP 32 Ca -0.00 -0.33 0.28 0.00 0.43 0.00 0.00 52.55 52.92 2dwv s ASP 32 Cb -0.08 -2.15 1.02 0.00 -0.30 0.00 0.00 42.92 41.40 2dwv s ASP 32 CO 0.01 -0.25 1.78 1.41 -0.17 0.00 0.00 175.17 177.94 2dwv n HIS 33 N 5.18 0.01 0.00 -5.34 8.25 -1.25 -1.30 115.22 120.77 2dwv n HIS 33 Ca -0.12 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.17 2dwv n HIS 33 Cb 0.50 -0.43 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 2dwv n HIS 33 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2dwv h THR 34 N 0.00 1.39 -0.01 1.59 2.02 -1.94 -3.36 112.91 112.60 2dwv h THR 34 Ca 0.00 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.12 2dwv h THR 34 Cb 0.50 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2dwv h THR 34 CO 0.00 0.61 0.00 0.59 0.37 0.00 0.00 175.52 177.09 2dwv n ASN 35 N -4.16 1.27 -3.36 4.18 3.02 -1.26 -5.03 115.26 109.92 2dwv n ASN 35 Ca -0.10 -1.15 -0.19 0.00 -0.03 0.00 0.00 54.58 53.11 2dwv n ASN 35 Cb 0.69 -0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.92 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 0.14 -1.91 -4.47 3.52 4.76 -0.42 -5.04 118.16 114.73 2dwv n LYS 36 Ca 0.02 0.80 -0.21 0.00 -2.87 0.00 0.00 58.31 56.04 2dwv n LYS 36 Cb 0.08 -5.35 -0.14 0.00 -1.84 0.00 0.00 35.03 27.78 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 -4.72 1.03 0.02 1.97 0.52 -1.00 -4.98 118.95 111.79 2dwv s ARG 37 Ca 0.43 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 2dwv s ARG 37 Cb -0.08 -1.03 -0.04 0.00 0.52 0.00 0.00 34.95 34.32 2dwv s ARG 37 CO 0.77 0.27 0.01 0.00 0.02 0.00 0.00 175.30 176.37 2dwv s ALA 38 N -0.66 3.31 0.14 2.13 0.00 -1.26 -0.86 121.76 124.56 2dwv s ALA 38 Ca 0.03 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 2dwv s ALA 38 Cb -0.07 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.72 2dwv s ALA 38 CO 0.01 0.66 0.29 1.14 0.00 0.00 0.00 175.76 177.86 2dwv s GLN 39 N -1.72 1.07 0.00 0.00 -2.07 -0.15 -5.01 119.66 111.77 2dwv s GLN 39 Ca 0.21 -1.02 0.21 0.00 -1.82 0.00 0.00 55.36 52.94 2dwv s GLN 39 Cb -0.12 0.39 0.55 0.00 -1.09 0.00 0.00 33.01 32.75 2dwv s GLN 39 CO 0.12 -0.39 1.47 0.66 -1.32 0.00 0.00 175.29 175.83 2dwv n TYR 40 N -0.18 0.81 -4.31 9.60 4.01 -1.26 -0.66 117.16 125.17 2dwv n TYR 40 Ca -0.11 -0.45 -0.17 0.00 -0.16 0.00 0.00 57.90 57.02 2dwv n TYR 40 Cb 0.63 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.55 2dwv n TYR 40 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2dwv s ARG 41 N -1.09 1.24 0.28 -0.72 3.03 -1.26 -4.37 118.95 116.05 2dwv s ARG 41 Ca 0.43 -1.55 -0.30 0.00 2.03 0.00 0.00 55.73 56.34 2dwv s ARG 41 Cb 0.23 -0.90 -0.11 0.00 -1.03 0.00 0.00 34.95 33.14 2dwv s ARG 41 CO 0.31 0.12 1.56 -1.58 -1.13 0.00 0.00 175.30 174.57 2dwv s HIS 42 N -3.14 2.83 -1.33 5.89 5.65 -1.26 -4.79 115.29 119.14 2dwv s HIS 42 Ca 0.21 0.83 0.21 0.00 0.25 0.00 0.00 55.06 56.56 2dwv s HIS 42 Cb 0.01 -4.00 1.03 0.00 -1.18 0.00 0.00 32.58 28.44 2dwv s HIS 42 CO 0.05 -3.37 1.68 -0.35 -0.65 0.00 0.00 174.74 172.09 2dwv n PRO 43 N 2.32 0.24 0.00 2.88 -0.04 -1.26 -4.08 135.00 135.05 2dwv n PRO 43 Ca 0.08 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2dwv n PRO 43 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2dwv n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dwv n SER 44 N -1.33 0.00 0.00 3.54 2.88 -1.26 -5.08 113.62 112.37 2dwv n SER 44 Ca 0.09 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2dwv n SER 44 Cb 0.19 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2dwv n SER 44 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dwv n GLY 45 N 2.11 0.93 0.15 0.46 0.00 -1.26 -4.87 105.19 102.71 2dwv n GLY 45 Ca 0.00 -2.08 0.11 0.00 0.00 0.00 0.00 46.02 44.05 2dwv n GLY 45 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dwv n PRO 46 N -1.33 0.16 -3.78 1.61 -0.04 -1.26 -4.69 135.00 125.66 2dwv n PRO 46 Ca 0.00 0.56 -0.12 0.00 -0.04 0.00 0.00 63.50 63.89 2dwv n PRO 46 Cb 0.00 -1.92 -0.08 0.00 -0.04 0.00 0.00 33.50 31.46 2dwv n PRO 46 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dwv s SER 47 N -4.09 -0.13 0.00 3.54 1.04 -1.26 -5.08 113.70 107.72 2dwv s SER 47 Ca 0.00 -0.07 0.12 0.00 0.48 0.00 0.00 55.95 56.48 2dwv s SER 47 Cb 0.07 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 2dwv s SER 47 CO 0.27 -0.50 0.70 -1.20 0.98 0.00 0.00 173.24 173.48 2dwv n SER 48 N 1.01 1.31 0.00 7.02 7.64 -1.26 -5.00 113.62 124.34 2dwv n SER 48 Ca -0.20 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.52 2dwv n SER 48 Cb 0.57 0.50 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 2dwv n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64