#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 4.01 0.00 1.61 0.01 -1.26 -5.07 113.70 113.00 2dwv s SER 2 Ca 0.00 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.11 2dwv s SER 2 Cb 0.00 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.79 2dwv s SER 2 CO 0.00 -0.31 0.00 -0.24 0.41 0.00 0.00 173.24 173.10 2dwv n SER 3 N -0.94 0.00 -0.17 2.44 2.88 -1.26 -5.16 113.62 111.41 2dwv n SER 3 Ca -0.04 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2dwv n SER 3 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 2dwv n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dwv n GLY 4 N 0.00 -0.67 3.35 0.46 0.00 -1.26 -4.95 105.19 102.13 2dwv n GLY 4 Ca 0.00 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.00 2.31 0.32 1.61 0.01 -1.26 -5.18 113.70 107.51 2dwv s SER 5 Ca 0.00 -1.13 -0.16 0.00 1.31 0.00 0.00 55.95 55.97 2dwv s SER 5 Cb 0.00 -0.09 0.03 0.00 0.21 0.00 0.00 66.02 66.17 2dwv s SER 5 CO 0.00 -0.35 0.67 -0.94 0.41 0.00 0.00 173.24 173.03 2dwv s SER 6 N -3.33 -0.01 0.89 2.44 1.04 -1.26 -5.09 113.70 108.37 2dwv s SER 6 Ca 0.26 -0.95 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 2dwv s SER 6 Cb 0.03 0.74 0.18 0.00 0.10 0.00 0.00 66.02 67.07 2dwv s SER 6 CO 0.08 -1.42 1.22 -0.83 0.98 0.00 0.00 173.24 173.27 2dwv s GLY 7 N -3.02 1.77 0.03 7.32 0.00 -1.26 -5.03 107.32 107.13 2dwv s GLY 7 Ca 0.17 -1.34 -0.22 0.00 0.00 0.00 0.00 44.72 43.32 2dwv s GLY 7 CO 0.10 -0.64 1.37 -0.56 0.00 0.00 0.00 173.10 173.37 2dwv h PRO 8 N -1.30 0.23 -2.62 2.90 0.13 -2.02 -3.43 132.00 125.89 2dwv h PRO 8 Ca -0.42 -0.11 0.12 0.00 -0.87 0.00 0.00 66.00 64.72 2dwv h PRO 8 Cb 1.25 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2dwv h PRO 8 CO 0.39 0.60 0.42 -0.48 -0.23 0.00 0.00 178.00 178.70 2dwv s LEU 9 N -9.26 -0.12 0.00 1.56 0.05 -1.26 -4.39 118.68 105.25 2dwv s LEU 9 Ca -0.15 -0.63 -0.27 0.00 0.05 0.00 0.00 54.13 53.13 2dwv s LEU 9 Cb 0.04 2.37 0.06 0.00 -2.05 0.00 0.00 46.19 46.62 2dwv s LEU 9 CO 0.72 -1.14 0.62 -0.70 -0.55 0.00 0.00 176.35 175.30 2dwv s GLU 10 N -3.00 1.07 0.00 1.48 2.56 -1.26 -4.98 118.70 114.57 2dwv s GLU 10 Ca 0.15 0.04 0.32 0.00 0.00 0.00 0.00 54.97 55.47 2dwv s GLU 10 Cb -0.03 0.50 1.81 0.00 2.00 0.00 0.00 34.13 38.40 2dwv s GLU 10 CO 0.05 -0.36 2.17 2.89 -0.56 0.00 0.00 175.26 179.45 2dwv n ARG 11 N 0.65 1.04 -1.38 4.30 1.85 -1.26 -4.92 116.66 116.94 2dwv n ARG 11 Ca -0.19 -0.09 -0.33 0.00 -1.00 0.00 0.00 57.85 56.24 2dwv n ARG 11 Cb 0.59 -1.50 0.09 0.00 -1.05 0.00 0.00 32.46 30.59 2dwv n ARG 11 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2dwv s GLU 12 N -2.02 2.12 1.12 2.89 2.02 -1.26 -5.02 118.70 118.54 2dwv s GLU 12 Ca 0.46 1.60 -0.15 0.00 0.02 0.00 0.00 54.97 56.90 2dwv s GLU 12 Cb 0.22 -1.85 0.25 0.00 0.10 0.00 0.00 34.13 32.85 2dwv s GLU 12 CO 0.37 -1.82 1.08 0.20 0.02 0.00 0.00 175.26 175.12 2dwv s GLY 13 N -2.36 1.56 0.13 -1.39 0.00 -1.26 -5.07 107.32 98.92 2dwv s GLY 13 Ca 0.70 -0.58 0.08 0.00 0.00 0.00 0.00 44.72 44.93 2dwv s GLY 13 CO 0.47 0.17 -0.13 1.08 0.00 0.00 0.00 173.10 174.69 2dwv s LEU 14 N -6.80 2.88 0.92 0.66 1.43 -1.26 -5.04 118.68 111.47 2dwv s LEU 14 Ca 0.68 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 2dwv s LEU 14 Cb -0.16 -1.67 0.14 0.00 0.03 0.00 0.00 46.19 44.53 2dwv s LEU 14 CO 0.58 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 176.25 2dwv s PRO 15 N -2.33 1.04 0.12 1.29 0.04 -1.26 -4.90 135.00 129.00 2dwv s PRO 15 Ca 0.21 1.00 -0.31 0.00 0.04 0.00 0.00 61.00 61.93 2dwv s PRO 15 Cb -0.10 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2dwv s PRO 15 CO 0.13 -2.44 1.58 -1.25 0.04 0.00 0.00 177.00 175.06 2dwv s PRO 16 N -4.81 4.22 0.00 0.56 0.04 -1.26 -2.05 135.00 131.70 2dwv s PRO 16 Ca 0.64 2.32 0.00 0.00 0.04 0.00 0.00 61.00 64.00 2dwv s PRO 16 Cb -0.20 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.00 2dwv s PRO 16 CO 0.58 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.39 2dwv n GLY 17 N 3.82 2.93 3.90 0.56 0.00 -1.26 -5.08 105.19 110.07 2dwv n GLY 17 Ca 0.14 0.00 -0.28 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 -2.59 3.48 -0.00 1.61 0.52 -0.87 -3.51 118.94 117.57 2dwv s TRP 18 Ca 0.00 0.65 -0.03 0.00 0.02 0.00 0.00 56.10 56.74 2dwv s TRP 18 Cb 0.00 -2.11 -0.00 0.00 -1.15 0.00 0.00 33.47 30.20 2dwv s TRP 18 CO 0.00 0.15 0.06 -2.00 0.02 0.00 0.00 176.95 175.17 2dwv s GLU 19 N -3.62 0.27 -0.19 4.98 2.56 -1.07 -4.84 118.70 116.79 2dwv s GLU 19 Ca 0.44 -0.29 -0.05 0.00 0.00 0.00 0.00 54.97 55.07 2dwv s GLU 19 Cb -0.11 0.11 -0.03 0.00 2.00 0.00 0.00 34.13 36.10 2dwv s GLU 19 CO 0.30 -0.05 0.01 0.50 -0.56 0.00 0.00 175.26 175.46 2dwv s ARG 20 N -0.88 3.72 -0.25 4.30 3.52 -1.26 -1.38 118.95 126.72 2dwv s ARG 20 Ca -0.10 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 54.99 2dwv s ARG 20 Cb -0.06 -3.09 0.01 0.00 -1.56 0.00 0.00 34.95 30.25 2dwv s ARG 20 CO 0.00 0.12 -0.01 0.08 -0.81 0.00 0.00 175.30 174.68 2dwv s VAL 21 N 0.74 3.42 -0.13 7.11 1.01 0.38 -5.00 120.40 127.93 2dwv s VAL 21 Ca 0.01 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2dwv s VAL 21 Cb -0.14 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2dwv s VAL 21 CO 0.02 0.26 0.09 -1.83 0.00 0.00 0.00 175.10 173.64 2dwv s GLU 22 N 1.44 3.48 0.35 2.72 -1.05 -1.26 -1.35 118.70 123.04 2dwv s GLU 22 Ca 0.03 -0.24 -0.04 0.00 -0.15 0.00 0.00 54.97 54.58 2dwv s GLU 22 Cb -0.16 -3.12 0.01 0.00 -0.44 0.00 0.00 34.13 30.42 2dwv s GLU 22 CO -0.02 0.64 0.52 -1.12 0.95 0.00 0.00 175.26 176.22 2dwv s SER 23 N -0.64 0.86 -0.00 0.83 0.01 -0.30 -4.99 113.70 109.48 2dwv s SER 23 Ca 0.12 -1.47 0.15 0.00 1.31 0.00 0.00 55.95 56.06 2dwv s SER 23 Cb -0.12 0.69 -0.17 0.00 0.21 0.00 0.00 66.02 66.64 2dwv s SER 23 CO 0.02 -1.36 0.60 -1.20 0.41 0.00 0.00 173.24 171.71 2dwv n SER 24 N -1.47 0.78 -0.11 2.44 7.64 -1.26 -3.70 113.62 117.94 2dwv n SER 24 Ca -0.00 -0.76 -0.21 0.00 1.01 0.00 0.00 58.87 58.91 2dwv n SER 24 Cb 0.61 1.07 -0.08 0.00 -1.01 0.00 0.00 64.21 64.80 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 -1.42 0.47 0.00 1.43 4.07 -1.26 -4.63 120.64 119.30 2dwv n GLU 25 Ca 0.02 0.18 0.12 0.00 -0.06 0.00 0.00 57.16 57.42 2dwv n GLU 25 Cb 0.25 -1.31 0.22 0.00 -0.06 0.00 0.00 31.44 30.55 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 -3.75 0.00 0.00 4.31 3.72 -1.26 -5.01 117.46 115.47 2dwv n PHE 26 Ca -0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 2dwv n PHE 26 Cb 0.82 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 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 1.45 2.21 3.50 1.37 0.00 -1.24 -4.65 105.19 107.83 2dwv n GLY 27 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.01 0.31 2.61 2.01 -1.26 -1.15 115.64 118.16 2dwv s THR 28 Ca 0.00 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 2dwv s THR 28 Cb 0.00 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 2dwv s THR 28 CO 0.00 0.01 0.38 -0.72 -0.69 0.00 0.00 174.62 173.60 2dwv s TYR 29 N 1.02 1.17 0.11 4.92 -0.85 -0.45 -4.86 117.35 118.42 2dwv s TYR 29 Ca -0.06 -1.34 0.03 0.00 -0.52 0.00 0.00 57.07 55.18 2dwv s TYR 29 Cb -0.05 -0.28 -0.04 0.00 0.38 0.00 0.00 41.96 41.97 2dwv s TYR 29 CO -0.10 -0.98 -0.08 0.71 -1.52 0.00 0.00 175.55 173.58 2dwv s TYR 30 N -3.41 1.00 -0.04 -3.49 2.02 -0.32 -0.47 117.35 112.63 2dwv s TYR 30 Ca 0.33 -0.86 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 2dwv s TYR 30 Cb 0.01 -0.55 0.01 0.00 -0.40 0.00 0.00 41.96 41.03 2dwv s TYR 30 CO 0.20 -0.08 -0.09 0.08 -1.57 0.00 0.00 175.55 174.09 2dwv s VAL 31 N -3.49 0.81 -0.47 0.71 1.01 -0.48 -1.40 120.40 117.10 2dwv s VAL 31 Ca 0.13 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 2dwv s VAL 31 Cb 0.04 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.71 2dwv s VAL 31 CO -0.03 0.27 0.64 -0.62 0.00 0.00 0.00 175.10 175.36 2dwv s ASP 32 N 0.43 6.28 0.38 3.32 -1.08 -0.13 -2.61 116.67 123.26 2dwv s ASP 32 Ca -0.07 -0.54 0.16 0.00 -0.52 0.00 0.00 52.55 51.58 2dwv s ASP 32 Cb -0.11 -2.31 0.77 0.00 -1.46 0.00 0.00 42.92 39.81 2dwv s ASP 32 CO 0.01 -0.83 1.81 0.45 0.52 0.00 0.00 175.17 177.13 2dwv h HIS 33 N 8.93 0.00 -0.21 -5.34 3.86 -1.87 0.65 115.15 121.18 2dwv h HIS 33 Ca -0.26 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.87 2dwv h HIS 33 Cb 1.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.56 2dwv h HIS 33 CO 0.74 0.37 -0.19 1.15 0.86 0.00 0.00 177.93 180.85 2dwv h THR 34 N 0.00 1.32 -0.00 2.45 2.02 -1.93 -3.33 112.91 113.44 2dwv h THR 34 Ca -0.00 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 65.83 2dwv h THR 34 Cb 0.73 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 2dwv h THR 34 CO 0.05 0.41 -0.68 0.59 0.37 0.00 0.00 175.52 176.26 2dwv n ASN 35 N -4.44 1.16 -3.41 4.18 3.02 -1.22 -5.01 115.26 109.52 2dwv n ASN 35 Ca -0.05 -1.08 -0.21 0.00 -0.03 0.00 0.00 54.58 53.21 2dwv n ASN 35 Cb 0.40 0.82 0.05 0.00 -0.61 0.00 0.00 39.78 40.44 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 -0.96 -1.77 -4.10 3.52 4.76 0.21 -5.04 118.16 114.78 2dwv n LYS 36 Ca 0.05 0.75 -0.11 0.00 -2.87 0.00 0.00 58.31 56.12 2dwv n LYS 36 Cb 0.31 -5.11 -0.11 0.00 -1.84 0.00 0.00 35.03 28.29 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 -4.93 0.64 0.10 1.97 0.52 -1.12 -4.99 118.95 111.14 2dwv s ARG 37 Ca 0.43 -1.01 0.08 0.00 -0.52 0.00 0.00 55.73 54.71 2dwv s ARG 37 Cb -0.10 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.13 2dwv s ARG 37 CO 0.79 0.01 -0.14 0.00 0.02 0.00 0.00 175.30 175.98 2dwv s ALA 38 N -2.45 2.82 0.12 2.13 0.00 -1.26 -0.95 121.76 122.17 2dwv s ALA 38 Ca -0.01 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 2dwv s ALA 38 Cb -0.03 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.34 2dwv s ALA 38 CO -0.02 0.62 0.39 1.14 0.00 0.00 0.00 175.76 177.88 2dwv s GLN 39 N -2.11 1.06 -0.07 0.00 -2.07 -0.49 -5.00 119.66 110.98 2dwv s GLN 39 Ca 0.19 -0.73 0.15 0.00 -1.82 0.00 0.00 55.36 53.15 2dwv s GLN 39 Cb -0.11 0.46 0.48 0.00 -1.09 0.00 0.00 33.01 32.75 2dwv s GLN 39 CO 0.12 -0.41 1.40 0.66 -1.32 0.00 0.00 175.29 175.73 2dwv n TYR 40 N -0.22 0.84 -4.38 9.60 4.01 -1.26 -1.18 117.16 124.58 2dwv n TYR 40 Ca -0.16 -0.62 -0.20 0.00 -0.16 0.00 0.00 57.90 56.76 2dwv n TYR 40 Cb 0.64 -0.15 -0.10 0.00 -0.31 0.00 0.00 39.34 39.42 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 -1.67 1.42 0.32 -0.72 3.03 -1.26 -4.74 118.95 115.34 2dwv s ARG 41 Ca 0.36 -1.65 -0.29 0.00 2.03 0.00 0.00 55.73 56.18 2dwv s ARG 41 Cb 0.23 -1.27 -0.10 0.00 -1.03 0.00 0.00 34.95 32.78 2dwv s ARG 41 CO 0.17 0.21 1.26 -1.58 -1.13 0.00 0.00 175.30 174.22 2dwv s HIS 42 N -2.87 3.18 0.00 5.89 2.46 -1.26 -4.86 115.29 117.82 2dwv s HIS 42 Ca 0.25 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.26 2dwv s HIS 42 Cb -0.01 -3.59 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 2dwv s HIS 42 CO 0.09 -1.55 0.60 -0.35 -2.47 0.00 0.00 174.74 171.06 2dwv n PRO 43 N 0.91 0.00 -0.17 2.88 -0.04 -1.26 -3.97 135.00 133.35 2dwv n PRO 43 Ca -0.00 0.25 -0.08 0.00 -0.04 0.00 0.00 63.50 63.62 2dwv n PRO 43 Cb 0.42 -1.15 0.01 0.00 -0.04 0.00 0.00 33.50 32.75 2dwv n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dwv h SER 44 N 0.00 0.70 -4.38 3.54 0.87 -1.96 -3.49 113.55 108.83 2dwv h SER 44 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2dwv h SER 44 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2dwv h SER 44 CO 0.00 0.70 0.00 0.61 -0.53 0.00 0.00 176.83 177.61 2dwv n GLY 45 N -0.73 -2.85 3.56 5.77 0.00 -1.25 -4.84 105.19 104.84 2dwv n GLY 45 Ca 0.01 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 2dwv n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dwv s PRO 46 N -0.80 2.91 0.79 1.61 0.04 -1.26 -5.00 135.00 133.29 2dwv s PRO 46 Ca 0.00 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 61.54 2dwv s PRO 46 Cb 0.00 -4.29 0.07 0.00 0.04 0.00 0.00 34.50 30.32 2dwv s PRO 46 CO 0.00 -2.39 1.10 0.45 0.04 0.00 0.00 177.00 176.19 2dwv s SER 47 N 6.68 4.56 -0.35 6.66 0.15 -1.26 -5.02 113.70 125.12 2dwv s SER 47 Ca 0.63 1.29 0.15 0.00 0.70 0.00 0.00 55.95 58.72 2dwv s SER 47 Cb -0.13 -2.02 0.45 0.00 -1.71 0.00 0.00 66.02 62.60 2dwv s SER 47 CO 0.23 -1.92 0.97 -0.24 1.20 0.00 0.00 173.24 173.48 2dwv n SER 48 N -3.40 2.05 0.00 5.45 2.88 -1.26 -5.29 113.62 114.04 2dwv n SER 48 Ca 0.07 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 2dwv n SER 48 Cb 0.56 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2dwv n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42