#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwv n SER 2 N 0.00 4.89 -4.77 1.61 7.64 -1.26 -5.04 113.62 116.69 2dwv n SER 2 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 2dwv n SER 2 Cb 0.00 0.59 -0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2dwv n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dwv s SER 3 N -2.91 6.29 0.00 6.43 1.04 -1.26 -5.01 113.70 118.27 2dwv s SER 3 Ca -0.00 2.70 0.00 0.00 0.48 0.00 0.00 55.95 59.13 2dwv s SER 3 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2dwv s SER 3 CO 0.02 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.98 2dwv n GLY 4 N 0.66 0.44 3.23 7.32 0.00 -1.26 -5.04 105.19 110.53 2dwv n GLY 4 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2dwv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dwv s SER 5 N -1.33 0.69 0.00 1.61 1.04 -1.26 -5.09 113.70 109.35 2dwv s SER 5 Ca 0.00 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.12 2dwv s SER 5 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2dwv s SER 5 CO 0.00 -0.73 0.00 -0.24 0.98 0.00 0.00 173.24 173.25 2dwv n SER 6 N -0.28 0.00 -4.85 7.02 2.88 -1.26 -5.15 113.62 111.97 2dwv n SER 6 Ca -0.02 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.23 2dwv n SER 6 Cb 0.65 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.22 2dwv n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dwv s GLY 7 N 0.00 1.59 -0.05 0.46 0.00 -1.26 -5.01 107.32 103.04 2dwv s GLY 7 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 44.72 43.89 2dwv s GLY 7 CO 0.00 -0.07 1.04 -0.56 0.00 0.00 0.00 173.10 173.52 2dwv h PRO 8 N -1.22 -0.08 -3.65 2.90 0.13 -2.05 -3.48 132.00 124.56 2dwv h PRO 8 Ca -0.48 0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 2dwv h PRO 8 Cb 1.33 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 2dwv h PRO 8 CO 0.64 0.48 0.01 -0.48 -0.23 0.00 0.00 178.00 178.43 2dwv s LEU 9 N -8.97 0.60 0.00 1.56 0.05 -1.26 -5.20 118.68 105.46 2dwv s LEU 9 Ca -0.15 -1.37 0.00 0.00 0.05 0.00 0.00 54.13 52.66 2dwv s LEU 9 Cb 0.00 2.08 0.00 0.00 -2.05 0.00 0.00 46.19 46.22 2dwv s LEU 9 CO 0.61 -1.49 0.00 -0.62 -0.55 0.00 0.00 176.35 174.30 2dwv n GLU 10 N -0.56 1.14 -0.06 1.48 -0.58 -1.26 -5.06 120.64 115.74 2dwv n GLU 10 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2dwv n GLU 10 Cb 0.61 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.48 2dwv n GLU 10 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2dwv n ARG 11 N -0.16 0.64 -3.11 3.49 1.74 -1.26 -4.89 116.66 113.11 2dwv n ARG 11 Ca 0.00 -0.83 -0.23 0.00 -0.77 0.00 0.00 57.85 56.01 2dwv n ARG 11 Cb 0.00 -0.64 -0.04 0.00 -1.02 0.00 0.00 32.46 30.76 2dwv n ARG 11 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2dwv n GLU 12 N -0.15 2.02 0.00 5.56 0.28 -1.26 -4.75 120.64 122.35 2dwv n GLU 12 Ca 0.01 -4.10 0.00 0.00 -0.16 0.00 0.00 57.16 52.91 2dwv n GLU 12 Cb 0.48 -1.93 0.00 0.00 1.43 0.00 0.00 31.44 31.42 2dwv n GLU 12 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dwv n GLY 13 N 0.24 0.76 3.90 -1.84 0.00 -1.26 -5.15 105.19 101.85 2dwv n GLY 13 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 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 3.36 0.81 0.99 1.43 -1.26 -5.06 118.68 118.94 2dwv s LEU 14 Ca 0.00 0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 53.98 2dwv s LEU 14 Cb 0.00 -3.90 0.08 0.00 0.03 0.00 0.00 46.19 42.40 2dwv s LEU 14 CO 0.00 -0.86 1.11 -2.16 0.23 0.00 0.00 176.35 174.67 2dwv s PRO 15 N -4.97 1.92 -0.24 1.29 0.04 -1.26 -4.88 135.00 126.89 2dwv s PRO 15 Ca 0.52 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 62.58 2dwv s PRO 15 Cb -0.11 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2dwv s PRO 15 CO 0.47 -1.92 2.05 -1.25 0.04 0.00 0.00 177.00 176.39 2dwv s PRO 16 N -4.78 3.27 0.00 0.56 0.04 -1.26 -1.78 135.00 131.05 2dwv s PRO 16 Ca 0.63 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2dwv s PRO 16 Cb -0.19 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2dwv s PRO 16 CO 0.56 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 176.07 2dwv n GLY 17 N 5.55 1.77 3.91 0.56 0.00 -1.26 -5.10 105.19 110.62 2dwv n GLY 17 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.09 3.48 0.04 1.61 0.52 -0.74 -3.37 118.94 118.40 2dwv s TRP 18 Ca 0.00 0.48 0.03 0.00 0.02 0.00 0.00 56.10 56.63 2dwv s TRP 18 Cb 0.00 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.35 2dwv s TRP 18 CO 0.00 0.44 -0.08 -2.00 0.02 0.00 0.00 176.95 175.32 2dwv s GLU 19 N -2.76 0.57 -0.18 4.98 2.56 -0.74 -4.75 118.70 118.38 2dwv s GLU 19 Ca 0.40 -0.70 -0.07 0.00 0.00 0.00 0.00 54.97 54.60 2dwv s GLU 19 Cb -0.12 -0.40 -0.04 0.00 2.00 0.00 0.00 34.13 35.57 2dwv s GLU 19 CO 0.26 0.08 0.06 0.50 -0.56 0.00 0.00 175.26 175.60 2dwv s ARG 20 N -1.36 3.97 0.04 4.30 3.52 -1.26 -0.99 118.95 127.17 2dwv s ARG 20 Ca -0.07 -0.35 0.08 0.00 -0.13 0.00 0.00 55.73 55.26 2dwv s ARG 20 Cb -0.09 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 2dwv s ARG 20 CO 0.01 0.28 -0.21 0.08 -0.81 0.00 0.00 175.30 174.64 2dwv s VAL 21 N 0.35 2.55 0.06 7.11 1.01 0.29 -5.00 120.40 126.77 2dwv s VAL 21 Ca 0.03 -1.25 0.06 0.00 0.00 0.00 0.00 61.98 60.82 2dwv s VAL 21 Cb -0.12 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2dwv s VAL 21 CO 0.00 0.36 -0.18 -1.83 0.00 0.00 0.00 175.10 173.45 2dwv s GLU 22 N -1.33 1.10 0.20 2.72 -1.05 -1.26 -0.73 118.70 118.35 2dwv s GLU 22 Ca 0.13 -0.93 -0.20 0.00 -0.15 0.00 0.00 54.97 53.82 2dwv s GLU 22 Cb -0.10 -1.21 0.04 0.00 -0.44 0.00 0.00 34.13 32.42 2dwv s GLU 22 CO 0.04 0.29 0.59 -1.54 0.95 0.00 0.00 175.26 175.60 2dwv s SER 23 N -1.41 -0.36 -0.05 0.83 1.04 0.64 -4.97 113.70 109.41 2dwv s SER 23 Ca 0.04 -0.35 0.14 0.00 0.48 0.00 0.00 55.95 56.26 2dwv s SER 23 Cb -0.09 0.62 -0.22 0.00 0.10 0.00 0.00 66.02 66.43 2dwv s SER 23 CO 0.02 -1.09 0.58 -1.20 0.98 0.00 0.00 173.24 172.53 2dwv n SER 24 N -0.38 0.70 0.13 7.02 7.64 -1.26 -2.37 113.62 125.10 2dwv n SER 24 Ca -0.11 0.33 0.12 0.00 1.01 0.00 0.00 58.87 60.22 2dwv n SER 24 Cb 0.62 0.19 0.15 0.00 -1.01 0.00 0.00 64.21 64.17 2dwv n SER 24 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2dwv h GLU 25 N 0.00 0.00 0.00 1.43 4.57 -2.06 -3.39 114.58 115.12 2dwv h GLU 25 Ca -0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 2dwv h GLU 25 Cb 1.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.56 2dwv h GLU 25 CO 0.06 0.00 -0.93 1.19 -1.18 0.00 0.00 179.01 178.16 2dwv n PHE 26 N -2.61 0.00 0.00 0.92 3.72 -1.26 -5.13 117.46 113.10 2dwv n PHE 26 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2dwv n PHE 26 Cb 0.50 0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 3.04 1.39 2.75 1.37 0.00 -1.00 -4.99 105.19 107.75 2dwv n GLY 27 Ca 0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 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 0.09 0.33 2.61 2.01 -1.26 -0.26 115.64 119.16 2dwv s THR 28 Ca 0.00 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.28 2dwv s THR 28 Cb 0.00 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 2dwv s THR 28 CO 0.00 0.18 0.19 -0.72 -0.69 0.00 0.00 174.62 173.58 2dwv s TYR 29 N 1.66 1.67 0.08 4.92 -0.85 0.10 -4.80 117.35 120.13 2dwv s TYR 29 Ca -0.01 -1.44 0.04 0.00 -0.52 0.00 0.00 57.07 55.14 2dwv s TYR 29 Cb -0.13 -0.87 -0.03 0.00 0.38 0.00 0.00 41.96 41.31 2dwv s TYR 29 CO -0.03 -0.58 -0.12 0.71 -1.52 0.00 0.00 175.55 174.01 2dwv s TYR 30 N -3.49 1.07 -0.02 -3.49 1.51 0.03 -0.55 117.35 112.42 2dwv s TYR 30 Ca 0.35 -0.53 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 2dwv s TYR 30 Cb 0.04 -0.60 -0.00 0.00 -0.11 0.00 0.00 41.96 41.29 2dwv s TYR 30 CO 0.20 0.02 -0.10 0.08 -1.11 0.00 0.00 175.55 174.63 2dwv s VAL 31 N -1.70 0.85 -0.43 0.71 1.01 -0.16 -2.36 120.40 118.33 2dwv s VAL 31 Ca -0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 2dwv s VAL 31 Cb -0.08 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.61 2dwv s VAL 31 CO 0.01 0.25 0.31 -0.62 0.00 0.00 0.00 175.10 175.06 2dwv s ASP 32 N -0.03 6.02 0.49 3.32 -1.08 -0.76 -1.79 116.67 122.84 2dwv s ASP 32 Ca 0.00 -1.11 0.29 0.00 -0.52 0.00 0.00 52.55 51.21 2dwv s ASP 32 Cb -0.07 -2.13 0.89 0.00 -1.46 0.00 0.00 42.92 40.15 2dwv s ASP 32 CO 0.00 -0.51 1.81 0.45 0.52 0.00 0.00 175.17 177.43 2dwv h HIS 33 N 8.62 0.00 0.06 -5.34 3.86 -1.87 0.12 115.15 120.61 2dwv h HIS 33 Ca -0.27 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.84 2dwv h HIS 33 Cb 1.11 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.59 2dwv h HIS 33 CO 0.59 0.00 -0.46 1.15 0.86 0.00 0.00 177.93 180.06 2dwv h THR 34 N 0.00 1.60 0.00 2.45 2.02 -1.94 -3.36 112.91 113.69 2dwv h THR 34 Ca 0.00 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.76 2dwv h THR 34 Cb 0.73 3.23 0.00 0.00 -1.74 0.00 0.00 68.15 70.37 2dwv h THR 34 CO 0.00 0.65 -0.71 0.59 0.37 0.00 0.00 175.52 176.42 2dwv n ASN 35 N -4.37 0.69 -3.72 4.18 3.02 -1.25 -4.99 115.26 108.84 2dwv n ASN 35 Ca -0.13 -0.53 -0.24 0.00 -0.03 0.00 0.00 54.58 53.64 2dwv n ASN 35 Cb 0.65 0.55 0.05 0.00 -0.61 0.00 0.00 39.78 40.42 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 -1.51 -5.88 -4.26 3.52 4.76 0.39 -5.01 118.16 110.17 2dwv n LYS 36 Ca 0.05 0.68 -0.24 0.00 -2.87 0.00 0.00 58.31 55.93 2dwv n LYS 36 Cb 0.34 -5.50 -0.08 0.00 -1.84 0.00 0.00 35.03 27.95 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 -6.16 2.18 0.10 1.97 0.52 -1.12 -4.96 118.95 111.48 2dwv s ARG 37 Ca 0.32 -1.65 0.07 0.00 -0.52 0.00 0.00 55.73 53.95 2dwv s ARG 37 Cb -0.15 -2.02 -0.03 0.00 0.52 0.00 0.00 34.95 33.26 2dwv s ARG 37 CO 0.79 0.16 -0.19 0.00 0.02 0.00 0.00 175.30 176.08 2dwv s ALA 38 N -2.47 1.67 -0.01 2.13 0.00 -1.26 -1.83 121.76 119.99 2dwv s ALA 38 Ca 0.35 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 2dwv s ALA 38 Cb -0.02 -0.21 0.07 0.00 0.00 0.00 0.00 23.12 22.97 2dwv s ALA 38 CO 0.20 0.31 0.67 1.14 0.00 0.00 0.00 175.76 178.08 2dwv s GLN 39 N -1.93 1.09 -0.02 0.00 -2.07 -0.99 -5.03 119.66 110.71 2dwv s GLN 39 Ca 0.05 0.11 0.14 0.00 -1.82 0.00 0.00 55.36 53.85 2dwv s GLN 39 Cb -0.10 0.51 0.45 0.00 -1.09 0.00 0.00 33.01 32.78 2dwv s GLN 39 CO 0.04 -0.37 1.36 0.66 -1.32 0.00 0.00 175.29 175.66 2dwv n TYR 40 N 0.65 0.74 -4.27 9.60 4.01 -1.26 -0.79 117.16 125.84 2dwv n TYR 40 Ca -0.18 -0.35 -0.15 0.00 -0.16 0.00 0.00 57.90 57.06 2dwv n TYR 40 Cb 0.59 -0.04 -0.10 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.44 1.13 0.33 -0.72 3.03 -1.26 -4.87 118.95 115.16 2dwv s ARG 41 Ca 0.33 -1.49 -0.29 0.00 2.03 0.00 0.00 55.73 56.31 2dwv s ARG 41 Cb 0.18 -0.74 -0.11 0.00 -1.03 0.00 0.00 34.95 33.26 2dwv s ARG 41 CO 0.21 0.09 1.44 -1.58 -1.13 0.00 0.00 175.30 174.33 2dwv s HIS 42 N -3.25 2.81 -0.37 5.89 2.46 -1.26 -4.75 115.29 116.83 2dwv s HIS 42 Ca 0.18 1.18 -0.05 0.00 0.47 0.00 0.00 55.06 56.84 2dwv s HIS 42 Cb 0.02 -3.89 -0.16 0.00 -0.13 0.00 0.00 32.58 28.42 2dwv s HIS 42 CO 0.02 -2.66 2.66 -0.35 -2.47 0.00 0.00 174.74 171.94 2dwv n PRO 43 N 1.05 1.83 -1.79 2.88 -0.04 -1.26 -4.96 135.00 132.72 2dwv n PRO 43 Ca 0.02 -1.04 -0.41 0.00 -0.04 0.00 0.00 63.50 62.04 2dwv n PRO 43 Cb 0.40 -2.08 -0.01 0.00 -0.04 0.00 0.00 33.50 31.77 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 2.48 6.35 -0.08 3.54 0.15 -1.26 -4.96 113.70 119.92 2dwv s SER 44 Ca 0.49 3.01 -0.31 0.00 0.70 0.00 0.00 55.95 59.85 2dwv s SER 44 Cb 0.20 -2.65 0.10 0.00 -1.71 0.00 0.00 66.02 61.96 2dwv s SER 44 CO -0.01 -0.89 1.36 -0.83 1.20 0.00 0.00 173.24 174.07 2dwv s GLY 45 N 0.11 -0.23 0.64 9.45 0.00 -1.26 -5.17 107.32 110.87 2dwv s GLY 45 Ca 0.57 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 45.40 2dwv s GLY 45 CO 0.57 5.94 1.05 2.56 0.00 0.00 0.00 173.10 183.21 2dwv s PRO 46 N -2.02 3.38 -0.42 2.90 0.04 -1.26 -5.05 135.00 132.57 2dwv s PRO 46 Ca 0.30 0.72 0.05 0.00 0.04 0.00 0.00 61.00 62.11 2dwv s PRO 46 Cb 0.01 -2.06 0.19 0.00 0.04 0.00 0.00 34.50 32.68 2dwv s PRO 46 CO -0.03 -0.72 0.45 0.43 0.04 0.00 0.00 177.00 177.17 2dwv n SER 47 N -2.84 -0.82 -0.06 6.66 7.64 -1.26 -4.99 113.62 117.94 2dwv n SER 47 Ca 0.06 -2.54 -0.07 0.00 1.01 0.00 0.00 58.87 57.33 2dwv n SER 47 Cb 0.55 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 63.51 2dwv n SER 47 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dwv h SER 48 N 5.14 0.00 0.00 6.43 0.02 -2.09 -3.56 113.55 119.48 2dwv h SER 48 Ca 0.18 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2dwv h SER 48 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2dwv h SER 48 CO 0.34 0.77 0.00 0.61 -1.14 0.00 0.00 176.83 177.42