#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 1.51 0.05 1.61 1.04 -1.26 -5.17 113.70 111.49 2dwv s SER 2 Ca 0.00 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.64 2dwv s SER 2 Cb 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 2dwv s SER 2 CO 0.00 -0.26 -0.11 -0.44 0.98 0.00 0.00 173.24 173.41 2dwv s SER 3 N -2.49 1.25 0.00 7.02 0.01 -1.26 -5.07 113.70 113.16 2dwv s SER 3 Ca 0.06 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2dwv s SER 3 Cb -0.03 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2dwv s SER 3 CO 0.00 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2dwv n GLY 4 N 1.52 0.01 3.89 3.44 0.00 -1.26 -5.07 105.19 107.72 2dwv n GLY 4 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.73 3.39 -0.49 1.61 0.01 -1.26 -4.88 113.70 110.35 2dwv s SER 5 Ca 0.00 0.47 -0.39 0.00 1.31 0.00 0.00 55.95 57.35 2dwv s SER 5 Cb 0.00 -0.68 -0.17 0.00 0.21 0.00 0.00 66.02 65.38 2dwv s SER 5 CO 0.00 -2.58 1.96 -1.20 0.41 0.00 0.00 173.24 171.83 2dwv n SER 6 N -3.70 0.64 -4.94 2.44 7.64 -1.26 -4.93 113.62 109.51 2dwv n SER 6 Ca 0.13 0.57 -0.21 0.00 1.01 0.00 0.00 58.87 60.37 2dwv n SER 6 Cb 0.60 -0.81 0.04 0.00 -1.01 0.00 0.00 64.21 63.03 2dwv n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dwv s GLY 7 N 5.62 1.83 0.26 0.23 0.00 -1.26 -5.03 107.32 108.97 2dwv s GLY 7 Ca 1.09 -1.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.28 2dwv s GLY 7 CO 0.58 -1.16 1.89 -0.56 0.00 0.00 0.00 173.10 173.85 2dwv h PRO 8 N 0.07 1.13 0.00 2.90 0.13 -2.04 -3.47 132.00 130.72 2dwv h PRO 8 Ca -0.40 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2dwv h PRO 8 Cb 1.29 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2dwv h PRO 8 CO 0.49 0.82 0.03 1.47 -0.23 0.00 0.00 178.00 180.58 2dwv n LEU 9 N -4.35 0.00 -4.49 1.56 -0.00 -1.26 -5.17 117.00 103.29 2dwv n LEU 9 Ca 0.09 -0.25 -0.33 0.00 -0.00 0.00 0.00 56.01 55.51 2dwv n LEU 9 Cb 0.09 0.38 0.12 0.00 -0.00 0.00 0.00 43.42 44.01 2dwv n LEU 9 CO 0.38 -0.08 0.14 -0.62 -0.00 0.00 0.00 177.39 177.21 2dwv n GLU 10 N -0.06 -0.13 -3.26 1.47 1.02 -1.26 -4.99 120.64 113.43 2dwv n GLU 10 Ca -0.01 0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.90 2dwv n GLU 10 Cb 0.06 -1.99 -0.07 0.00 -0.02 0.00 0.00 31.44 29.43 2dwv n GLU 10 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dwv n ARG 11 N -2.00 1.68 -4.18 3.49 1.74 -1.26 -5.07 116.66 111.06 2dwv n ARG 11 Ca 0.09 -3.95 -0.11 0.00 -0.77 0.00 0.00 57.85 53.11 2dwv n ARG 11 Cb 0.52 -1.76 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 2dwv n ARG 11 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2dwv s GLU 12 N -2.02 1.00 0.00 5.56 2.02 -1.26 -5.08 118.70 118.93 2dwv s GLU 12 Ca 0.39 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 53.89 2dwv s GLU 12 Cb 0.19 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.57 2dwv s GLU 12 CO -0.07 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.36 2dwv n GLY 13 N -0.15 0.96 3.41 -1.39 0.00 -1.26 -5.13 105.19 101.62 2dwv n GLY 13 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2dwv n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dwv s LEU 14 N 0.00 2.57 0.84 0.99 1.43 -1.26 -5.09 118.68 118.16 2dwv s LEU 14 Ca 0.00 -1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 51.96 2dwv s LEU 14 Cb 0.00 -0.88 0.10 0.00 0.03 0.00 0.00 46.19 45.44 2dwv s LEU 14 CO 0.00 -0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.44 2dwv s PRO 15 N -3.58 1.71 0.35 1.29 0.04 -1.26 -4.96 135.00 128.59 2dwv s PRO 15 Ca 0.26 0.86 -0.28 0.00 0.04 0.00 0.00 61.00 61.89 2dwv s PRO 15 Cb -0.03 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 2dwv s PRO 15 CO 0.11 -1.94 1.34 -1.25 0.04 0.00 0.00 177.00 175.30 2dwv s PRO 16 N -4.98 4.23 0.00 0.56 0.04 -1.26 -2.52 135.00 131.08 2dwv s PRO 16 Ca 0.62 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.94 2dwv s PRO 16 Cb -0.17 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2dwv s PRO 16 CO 0.56 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.69 2dwv n GLY 17 N 0.70 2.15 3.94 0.56 0.00 -1.26 -5.05 105.19 106.23 2dwv n GLY 17 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.39 3.26 0.05 1.61 0.52 -1.05 -4.11 118.94 116.83 2dwv s TRP 18 Ca 0.00 0.41 -0.10 0.00 0.02 0.00 0.00 56.10 56.42 2dwv s TRP 18 Cb 0.00 -2.44 0.01 0.00 -1.15 0.00 0.00 33.47 29.89 2dwv s TRP 18 CO 0.00 -0.49 0.22 -2.00 0.02 0.00 0.00 176.95 174.70 2dwv s GLU 19 N -4.70 0.73 -0.01 4.98 2.56 -1.02 -4.93 118.70 116.32 2dwv s GLU 19 Ca 0.50 -0.63 0.06 0.00 0.00 0.00 0.00 54.97 54.90 2dwv s GLU 19 Cb -0.10 0.31 -0.02 0.00 2.00 0.00 0.00 34.13 36.32 2dwv s GLU 19 CO 0.41 -0.22 -0.20 0.50 -0.56 0.00 0.00 175.26 175.19 2dwv s ARG 20 N -2.68 1.56 -0.02 4.30 3.52 -1.26 -0.84 118.95 123.53 2dwv s ARG 20 Ca -0.04 -0.74 0.07 0.00 -0.13 0.00 0.00 55.73 54.88 2dwv s ARG 20 Cb -0.01 -1.53 -0.02 0.00 -1.56 0.00 0.00 34.95 31.84 2dwv s ARG 20 CO -0.04 0.42 -0.22 0.08 -0.81 0.00 0.00 175.30 174.72 2dwv s VAL 21 N -0.52 1.74 -0.16 7.11 1.01 0.40 -4.96 120.40 125.03 2dwv s VAL 21 Ca 0.07 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2dwv s VAL 21 Cb -0.08 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2dwv s VAL 21 CO -0.00 0.49 -0.18 -1.83 0.00 0.00 0.00 175.10 173.58 2dwv s GLU 22 N -0.44 2.72 0.32 2.72 -1.05 -1.26 -1.50 118.70 120.21 2dwv s GLU 22 Ca 0.06 -0.73 0.03 0.00 -0.15 0.00 0.00 54.97 54.18 2dwv s GLU 22 Cb -0.09 -2.34 -0.05 0.00 -0.44 0.00 0.00 34.13 31.21 2dwv s GLU 22 CO -0.00 -0.16 0.10 -1.54 0.95 0.00 0.00 175.26 174.60 2dwv s SER 23 N 1.22 1.97 -0.09 0.83 1.04 -0.33 -5.00 113.70 113.34 2dwv s SER 23 Ca 0.01 -1.47 0.17 0.00 0.48 0.00 0.00 55.95 55.15 2dwv s SER 23 Cb -0.14 0.18 -0.23 0.00 0.10 0.00 0.00 66.02 65.93 2dwv s SER 23 CO -0.09 -0.75 0.40 -1.20 0.98 0.00 0.00 173.24 172.58 2dwv n SER 24 N -0.78 0.38 -0.05 7.02 7.64 -1.26 -3.26 113.62 123.32 2dwv n SER 24 Ca -0.02 0.18 -0.06 0.00 1.01 0.00 0.00 58.87 59.98 2dwv n SER 24 Cb 0.66 0.67 -0.14 0.00 -1.01 0.00 0.00 64.21 64.39 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 -2.80 0.66 -0.07 1.43 2.13 -1.26 -4.65 120.64 116.08 2dwv n GLU 25 Ca -0.22 0.08 -0.08 0.00 0.66 0.00 0.00 57.16 57.60 2dwv n GLU 25 Cb 1.01 -1.64 -0.08 0.00 0.27 0.00 0.00 31.44 31.00 2dwv n GLU 25 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2dwv n PHE 26 N -2.79 0.00 0.00 4.31 3.72 -1.26 -5.10 117.46 116.34 2dwv n PHE 26 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2dwv n PHE 26 Cb 1.01 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 2.49 1.32 3.08 1.37 0.00 -1.20 -4.93 105.19 107.32 2dwv n GLY 27 Ca -0.24 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.39 0.29 2.61 2.01 -1.26 -1.18 115.64 117.71 2dwv s THR 28 Ca 0.00 0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.28 2dwv s THR 28 Cb 0.00 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 2dwv s THR 28 CO 0.00 0.10 0.24 -0.72 -0.69 0.00 0.00 174.62 173.54 2dwv s TYR 29 N 2.26 1.57 0.08 4.92 -0.85 -0.56 -4.90 117.35 119.86 2dwv s TYR 29 Ca -0.01 -1.57 0.06 0.00 -0.52 0.00 0.00 57.07 55.02 2dwv s TYR 29 Cb -0.12 -0.66 -0.03 0.00 0.38 0.00 0.00 41.96 41.53 2dwv s TYR 29 CO -0.10 -0.81 -0.16 0.71 -1.52 0.00 0.00 175.55 173.68 2dwv s TYR 30 N -3.66 1.35 -0.08 -3.49 1.51 -0.39 -0.45 117.35 112.14 2dwv s TYR 30 Ca 0.40 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 56.05 2dwv s TYR 30 Cb 0.04 -0.75 -0.00 0.00 -0.11 0.00 0.00 41.96 41.14 2dwv s TYR 30 CO 0.23 0.09 -0.22 0.08 -1.11 0.00 0.00 175.55 174.62 2dwv s VAL 31 N -1.27 1.90 -0.32 0.71 1.01 -0.02 -2.28 120.40 120.13 2dwv s VAL 31 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 2dwv s VAL 31 Cb -0.10 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 2dwv s VAL 31 CO 0.03 0.53 0.27 -0.62 0.00 0.00 0.00 175.10 175.31 2dwv s ASP 32 N 0.22 6.10 0.27 3.32 -1.08 -0.71 -2.43 116.67 122.36 2dwv s ASP 32 Ca -0.13 -0.19 0.22 0.00 -0.52 0.00 0.00 52.55 51.92 2dwv s ASP 32 Cb -0.16 -2.16 0.09 0.00 -1.46 0.00 0.00 42.92 39.23 2dwv s ASP 32 CO 0.06 -0.21 1.21 0.45 0.52 0.00 0.00 175.17 177.20 2dwv h HIS 33 N 8.42 0.00 0.01 -5.34 3.86 -1.87 -0.10 115.15 120.13 2dwv h HIS 33 Ca -0.32 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.69 2dwv h HIS 33 Cb 1.16 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.62 2dwv h HIS 33 CO 0.70 0.05 -0.90 1.15 0.86 0.00 0.00 177.93 179.79 2dwv h THR 34 N 0.00 1.55 0.00 2.45 2.02 -1.94 -3.32 112.91 113.67 2dwv h THR 34 Ca -0.01 -2.82 0.00 0.00 0.77 0.00 0.00 66.41 64.35 2dwv h THR 34 Cb 1.04 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 2dwv h THR 34 CO 0.00 0.81 -0.70 0.59 0.37 0.00 0.00 175.52 176.60 2dwv n ASN 35 N -3.58 0.90 -3.56 4.18 3.02 -1.26 -5.03 115.26 109.93 2dwv n ASN 35 Ca -0.03 -0.60 -0.24 0.00 -0.03 0.00 0.00 54.58 53.69 2dwv n ASN 35 Cb 0.83 1.10 0.05 0.00 -0.61 0.00 0.00 39.78 41.15 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 -1.38 -2.66 -4.39 3.52 4.76 -0.09 -5.03 118.16 112.88 2dwv n LYS 36 Ca 0.01 0.63 -0.19 0.00 -2.87 0.00 0.00 58.31 55.89 2dwv n LYS 36 Cb 0.19 -4.95 -0.10 0.00 -1.84 0.00 0.00 35.03 28.33 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 -5.51 1.54 0.02 1.97 0.52 -0.94 -4.99 118.95 111.55 2dwv s ARG 37 Ca 0.33 -1.84 0.06 0.00 -0.52 0.00 0.00 55.73 53.75 2dwv s ARG 37 Cb -0.09 -0.63 -0.02 0.00 0.52 0.00 0.00 34.95 34.73 2dwv s ARG 37 CO 0.81 -0.22 -0.18 0.00 0.02 0.00 0.00 175.30 175.73 2dwv s ALA 38 N -3.47 1.52 0.13 2.13 0.00 -1.26 -1.74 121.76 119.07 2dwv s ALA 38 Ca 0.36 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 2dwv s ALA 38 Cb 0.08 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.89 2dwv s ALA 38 CO 0.14 0.35 0.35 1.14 0.00 0.00 0.00 175.76 177.75 2dwv s GLN 39 N -0.81 1.06 -0.29 0.00 -2.07 -0.97 -5.03 119.66 111.55 2dwv s GLN 39 Ca 0.06 -0.83 0.11 0.00 -1.82 0.00 0.00 55.36 52.88 2dwv s GLN 39 Cb -0.08 0.44 0.60 0.00 -1.09 0.00 0.00 33.01 32.88 2dwv s GLN 39 CO 0.01 -0.40 1.60 0.66 -1.32 0.00 0.00 175.29 175.84 2dwv n TYR 40 N -0.20 1.66 -4.10 9.60 4.01 -1.26 -1.26 117.16 125.61 2dwv n TYR 40 Ca -0.14 -1.34 -0.07 0.00 -0.16 0.00 0.00 57.90 56.18 2dwv n TYR 40 Cb 0.63 -0.56 -0.10 0.00 -0.31 0.00 0.00 39.34 39.01 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 -3.08 0.63 0.74 -0.72 3.03 -1.26 -4.99 118.95 113.30 2dwv s ARG 41 Ca 0.48 -1.23 -0.15 0.00 2.03 0.00 0.00 55.73 56.86 2dwv s ARG 41 Cb 0.41 0.17 0.04 0.00 -1.03 0.00 0.00 34.95 34.54 2dwv s ARG 41 CO 0.07 -0.10 1.25 1.58 -1.13 0.00 0.00 175.30 176.97 2dwv n HIS 42 N 0.09 1.57 -2.67 5.89 -0.00 -1.26 -4.81 115.22 114.04 2dwv n HIS 42 Ca -0.14 0.41 -0.43 0.00 0.46 0.00 0.00 57.72 58.03 2dwv n HIS 42 Cb 0.61 -2.18 -0.01 0.00 -0.12 0.00 0.00 29.99 28.29 2dwv n HIS 42 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2dwv s PRO 43 N -3.81 3.86 0.14 1.57 0.04 -1.26 -4.88 135.00 130.66 2dwv s PRO 43 Ca 0.78 -1.83 -0.26 0.00 0.04 0.00 0.00 61.00 59.73 2dwv s PRO 43 Cb -0.33 -5.35 -0.02 0.00 0.04 0.00 0.00 34.50 28.84 2dwv s PRO 43 CO 0.46 -2.12 1.60 0.66 0.04 0.00 0.00 177.00 177.65 2dwv h SER 44 N 8.25 -1.07 -4.78 6.66 4.64 -1.94 -3.48 113.55 121.83 2dwv h SER 44 Ca 0.33 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2dwv h SER 44 Cb 0.92 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2dwv h SER 44 CO 1.38 -0.37 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 2dwv n GLY 45 N -1.42 -2.95 0.15 -0.77 0.00 -1.26 -4.63 105.19 94.32 2dwv n GLY 45 Ca -0.03 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.16 2dwv n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dwv h PRO 46 N 0.00 0.00 -4.81 1.61 0.13 -2.06 -3.46 132.00 123.41 2dwv h PRO 46 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.73 2dwv h PRO 46 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2dwv h PRO 46 CO 0.00 0.00 -0.54 -1.54 -0.23 0.00 0.00 178.00 175.69 2dwv s SER 47 N -4.91 1.22 0.23 1.44 1.04 -1.26 -5.18 113.70 106.27 2dwv s SER 47 Ca 0.08 -1.62 -0.01 0.00 0.48 0.00 0.00 55.95 54.88 2dwv s SER 47 Cb 0.10 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2dwv s SER 47 CO 0.56 -0.97 0.32 -1.54 0.98 0.00 0.00 173.24 172.59 2dwv n SER 48 N -1.08 -0.88 0.00 7.02 3.41 -1.26 -5.00 113.62 115.83 2dwv n SER 48 Ca 0.05 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 2dwv n SER 48 Cb 0.64 1.66 0.00 0.00 -0.26 0.00 0.00 64.21 66.24 2dwv n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49