#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 0.27 -4.44 1.61 2.88 -1.26 -4.88 113.62 107.81 2dwv n SER 2 Ca 0.00 -0.06 -0.22 0.00 -1.33 0.00 0.00 58.87 57.27 2dwv n SER 2 Cb 0.00 -0.17 -0.10 0.00 -0.75 0.00 0.00 64.21 63.19 2dwv n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dwv s SER 3 N -2.81 2.81 0.00 -3.46 0.01 -1.26 -5.08 113.70 103.91 2dwv s SER 3 Ca 0.19 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.24 2dwv s SER 3 Cb 0.19 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.24 2dwv s SER 3 CO 0.55 -0.36 0.17 0.61 0.41 0.00 0.00 173.24 174.62 2dwv n GLY 4 N -0.61 0.17 3.69 3.44 0.00 -1.26 -5.08 105.19 105.54 2dwv n GLY 4 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.48 2.62 0.17 1.61 0.01 -1.26 -4.95 113.70 111.43 2dwv s SER 5 Ca 0.00 1.12 -0.32 0.00 1.31 0.00 0.00 55.95 58.06 2dwv s SER 5 Cb 0.00 -1.77 -0.12 0.00 0.21 0.00 0.00 66.02 64.35 2dwv s SER 5 CO 0.00 -3.12 1.77 -1.20 0.41 0.00 0.00 173.24 171.10 2dwv n SER 6 N -4.16 4.01 -4.19 2.44 7.64 -1.26 -4.99 113.62 113.10 2dwv n SER 6 Ca 0.05 1.03 -0.30 0.00 1.01 0.00 0.00 58.87 60.67 2dwv n SER 6 Cb 0.58 -1.56 0.19 0.00 -1.01 0.00 0.00 64.21 62.41 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 1.80 1.64 0.01 0.23 0.00 -1.26 -5.03 107.32 104.71 2dwv s GLY 7 Ca 0.78 -0.90 -0.08 0.00 0.00 0.00 0.00 44.72 44.53 2dwv s GLY 7 CO 0.34 -0.14 0.87 -0.56 0.00 0.00 0.00 173.10 173.62 2dwv h PRO 8 N -1.99 -0.27 -6.62 2.90 0.13 -1.94 -3.47 132.00 120.75 2dwv h PRO 8 Ca -0.47 0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.18 2dwv h PRO 8 Cb 1.29 0.06 0.02 0.00 0.13 0.00 0.00 31.00 32.50 2dwv h PRO 8 CO 0.43 -0.18 -0.09 -0.48 -0.23 0.00 0.00 178.00 177.46 2dwv s LEU 9 N -5.51 2.98 0.00 1.56 0.05 -1.26 -5.14 118.68 111.36 2dwv s LEU 9 Ca -0.04 -0.95 -0.08 0.00 0.05 0.00 0.00 54.13 53.11 2dwv s LEU 9 Cb 0.00 -1.44 0.11 0.00 -2.05 0.00 0.00 46.19 42.82 2dwv s LEU 9 CO 0.12 -1.41 0.60 -1.84 -0.55 0.00 0.00 176.35 173.27 2dwv n GLU 10 N -2.27 -0.89 -0.47 1.48 0.00 -1.26 -5.04 120.64 112.20 2dwv n GLU 10 Ca 0.15 -0.93 0.06 0.00 0.00 0.00 0.00 57.16 56.44 2dwv n GLU 10 Cb 0.62 -0.66 0.09 0.00 0.00 0.00 0.00 31.44 31.49 2dwv n GLU 10 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2dwv n ARG 11 N -2.46 0.78 -3.78 3.44 1.85 -1.26 -4.96 116.66 110.27 2dwv n ARG 11 Ca 0.08 -2.14 -0.37 0.00 -1.00 0.00 0.00 57.85 54.42 2dwv n ARG 11 Cb 0.27 -1.02 -0.06 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 -1.69 3.66 0.00 2.89 0.41 -1.26 -4.80 118.70 117.90 2dwv s GLU 12 Ca 0.23 -0.04 0.00 0.00 -0.41 0.00 0.00 54.97 54.76 2dwv s GLU 12 Cb 0.22 -3.24 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2dwv s GLU 12 CO -0.02 0.68 0.00 0.41 -0.49 0.00 0.00 175.26 175.83 2dwv n GLY 13 N 2.22 -2.61 3.76 -1.39 0.00 -1.26 -5.05 105.19 100.86 2dwv n GLY 13 Ca -0.18 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 3.11 0.84 0.99 1.43 -1.26 -5.03 118.68 118.75 2dwv s LEU 14 Ca 0.00 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 2dwv s LEU 14 Cb 0.00 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.78 2dwv s LEU 14 CO 0.00 -2.04 1.09 -2.16 0.23 0.00 0.00 176.35 173.47 2dwv s PRO 15 N -4.66 1.74 -0.15 1.29 0.04 -1.26 -4.95 135.00 127.06 2dwv s PRO 15 Ca 0.63 0.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 2dwv s PRO 15 Cb -0.19 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2dwv s PRO 15 CO 0.52 -1.89 1.61 -1.25 0.04 0.00 0.00 177.00 176.03 2dwv s PRO 16 N -5.03 3.97 0.00 0.56 0.04 -1.26 -2.46 135.00 130.82 2dwv s PRO 16 Ca 0.62 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2dwv s PRO 16 Cb -0.16 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2dwv s PRO 16 CO 0.56 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2dwv n GLY 17 N 4.37 1.68 3.78 0.56 0.00 -1.26 -5.10 105.19 109.22 2dwv n GLY 17 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.63 3.73 -0.02 1.61 0.52 -1.03 -3.71 118.94 118.40 2dwv s TRP 18 Ca 0.00 1.23 0.08 0.00 0.02 0.00 0.00 56.10 57.42 2dwv s TRP 18 Cb 0.00 -2.57 -0.02 0.00 -1.15 0.00 0.00 33.47 29.73 2dwv s TRP 18 CO 0.00 0.43 -0.25 -2.00 0.02 0.00 0.00 176.95 175.15 2dwv s GLU 19 N -0.50 2.14 -0.23 4.98 2.56 -1.14 -4.81 118.70 121.69 2dwv s GLU 19 Ca 0.30 -0.92 -0.06 0.00 0.00 0.00 0.00 54.97 54.30 2dwv s GLU 19 Cb -0.19 -2.06 -0.02 0.00 2.00 0.00 0.00 34.13 33.86 2dwv s GLU 19 CO 0.18 0.56 0.02 0.50 -0.56 0.00 0.00 175.26 175.96 2dwv s ARG 20 N -0.61 3.54 -0.04 4.30 3.52 -1.26 -1.76 118.95 126.64 2dwv s ARG 20 Ca 0.10 -0.54 -0.12 0.00 -0.13 0.00 0.00 55.73 55.04 2dwv s ARG 20 Cb -0.10 -3.16 -0.05 0.00 -1.56 0.00 0.00 34.95 30.07 2dwv s ARG 20 CO -0.01 -0.16 0.30 0.08 -0.81 0.00 0.00 175.30 174.71 2dwv s VAL 21 N 1.46 5.21 -0.16 7.11 1.01 -0.05 -4.96 120.40 130.03 2dwv s VAL 21 Ca 0.05 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2dwv s VAL 21 Cb -0.15 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2dwv s VAL 21 CO 0.01 0.59 -0.11 -1.83 0.00 0.00 0.00 175.10 173.76 2dwv s GLU 22 N -1.08 1.99 0.21 2.72 -1.05 -1.26 -1.46 118.70 118.77 2dwv s GLU 22 Ca 0.21 -0.56 -0.01 0.00 -0.15 0.00 0.00 54.97 54.45 2dwv s GLU 22 Cb -0.15 -2.07 -0.04 0.00 -0.44 0.00 0.00 34.13 31.44 2dwv s GLU 22 CO 0.10 -0.31 0.16 -1.12 0.95 0.00 0.00 175.26 175.04 2dwv s SER 23 N 1.53 0.23 -0.06 0.83 0.01 -0.16 -4.99 113.70 111.09 2dwv s SER 23 Ca 0.03 -1.38 -0.02 0.00 1.31 0.00 0.00 55.95 55.89 2dwv s SER 23 Cb -0.14 0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 2dwv s SER 23 CO -0.09 -0.88 -0.04 0.28 0.41 0.00 0.00 173.24 172.92 2dwv h SER 24 N 2.56 0.00 0.04 2.44 0.02 -2.01 -1.97 113.55 114.63 2dwv h SER 24 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2dwv h SER 24 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2dwv h SER 24 CO 0.51 0.30 0.00 -0.08 -1.14 0.00 0.00 176.83 176.42 2dwv h GLU 25 N -0.49 0.00 0.00 3.45 4.57 -2.06 -2.61 114.58 117.44 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 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2dwv h GLU 25 CO 0.00 0.00 -0.41 1.19 -1.18 0.00 0.00 179.01 178.61 2dwv n PHE 26 N -2.53 0.00 0.00 0.92 3.72 -1.26 -5.08 117.46 113.23 2dwv n PHE 26 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2dwv n PHE 26 Cb 0.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.51 1.96 3.51 1.37 0.00 -0.74 -4.70 105.19 108.10 2dwv n GLY 27 Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.00 0.30 2.61 2.01 -1.26 -0.99 115.64 118.31 2dwv s THR 28 Ca 0.00 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 2dwv s THR 28 Cb 0.00 -0.85 -0.00 0.00 0.01 0.00 0.00 72.50 71.66 2dwv s THR 28 CO 0.00 0.01 0.46 -0.72 -0.69 0.00 0.00 174.62 173.68 2dwv s TYR 29 N 0.76 0.82 0.10 4.92 1.13 -0.53 -4.97 117.35 119.58 2dwv s TYR 29 Ca -0.04 -1.11 0.09 0.00 -1.41 0.00 0.00 57.07 54.60 2dwv s TYR 29 Cb -0.05 0.00 -0.03 0.00 -1.10 0.00 0.00 41.96 40.78 2dwv s TYR 29 CO -0.06 -1.07 -0.22 0.71 -2.51 0.00 0.00 175.55 172.40 2dwv s TYR 30 N -3.40 1.90 0.02 -3.49 2.02 -0.74 -0.87 117.35 112.79 2dwv s TYR 30 Ca 0.28 -0.41 0.06 0.00 -0.37 0.00 0.00 57.07 56.63 2dwv s TYR 30 Cb -0.00 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.49 2dwv s TYR 30 CO 0.16 0.21 -0.18 0.08 -1.57 0.00 0.00 175.55 174.25 2dwv s VAL 31 N -1.09 1.41 -0.33 0.71 1.01 -0.72 -1.22 120.40 120.17 2dwv s VAL 31 Ca 0.08 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2dwv s VAL 31 Cb -0.10 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.08 2dwv s VAL 31 CO 0.04 0.23 0.13 -0.62 0.00 0.00 0.00 175.10 174.89 2dwv s ASP 32 N -0.85 5.41 0.41 3.32 -1.08 -0.17 -2.88 116.67 120.83 2dwv s ASP 32 Ca 0.06 -0.82 0.22 0.00 -0.52 0.00 0.00 52.55 51.49 2dwv s ASP 32 Cb -0.08 -1.94 0.69 0.00 -1.46 0.00 0.00 42.92 40.13 2dwv s ASP 32 CO 0.01 -0.27 1.72 0.45 0.52 0.00 0.00 175.17 177.60 2dwv h HIS 33 N 8.31 0.00 -0.31 -5.34 3.86 -1.87 0.43 115.15 120.23 2dwv h HIS 33 Ca -0.29 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.80 2dwv h HIS 33 Cb 1.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 2dwv h HIS 33 CO 0.60 0.26 -0.32 1.15 0.86 0.00 0.00 177.93 180.49 2dwv h THR 34 N 0.00 1.28 -0.00 2.45 2.02 -1.94 -3.30 112.91 113.42 2dwv h THR 34 Ca -0.00 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.73 2dwv h THR 34 Cb 0.91 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2dwv h THR 34 CO 0.03 0.47 -0.04 0.59 0.37 0.00 0.00 175.52 176.94 2dwv n ASN 35 N -4.07 0.83 -3.47 4.18 3.02 -1.24 -5.03 115.26 109.47 2dwv n ASN 35 Ca -0.01 -0.91 -0.18 0.00 -0.03 0.00 0.00 54.58 53.44 2dwv n ASN 35 Cb 0.48 0.36 0.07 0.00 -0.61 0.00 0.00 39.78 40.08 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 -0.28 -5.30 -4.44 3.52 4.76 0.10 -5.03 118.16 111.49 2dwv n LYS 36 Ca 0.01 0.78 -0.24 0.00 -2.87 0.00 0.00 58.31 55.99 2dwv n LYS 36 Cb 0.06 -5.63 -0.09 0.00 -1.84 0.00 0.00 35.03 27.52 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 -5.37 1.87 0.09 1.97 0.52 -0.96 -4.95 118.95 112.12 2dwv s ARG 37 Ca 0.09 -1.75 0.09 0.00 -0.52 0.00 0.00 55.73 53.64 2dwv s ARG 37 Cb -0.02 -1.85 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 2dwv s ARG 37 CO 0.76 0.26 -0.22 0.00 0.02 0.00 0.00 175.30 176.11 2dwv s ALA 38 N -2.50 1.95 0.06 2.13 0.00 -1.26 -0.99 121.76 121.14 2dwv s ALA 38 Ca 0.32 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 2dwv s ALA 38 Cb -0.03 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.82 2dwv s ALA 38 CO 0.17 0.42 0.42 1.14 0.00 0.00 0.00 175.76 177.90 2dwv s GLN 39 N -1.77 0.96 -0.31 0.00 -2.07 -0.36 -5.00 119.66 111.11 2dwv s GLN 39 Ca 0.09 -0.43 0.05 0.00 -1.82 0.00 0.00 55.36 53.25 2dwv s GLN 39 Cb -0.10 0.43 0.56 0.00 -1.09 0.00 0.00 33.01 32.80 2dwv s GLN 39 CO 0.04 -0.34 1.65 0.66 -1.32 0.00 0.00 175.29 175.98 2dwv n TYR 40 N 0.34 2.19 -3.89 9.60 4.02 -1.26 -1.78 117.16 126.38 2dwv n TYR 40 Ca -0.18 -1.28 -0.11 0.00 -0.01 0.00 0.00 57.90 56.32 2dwv n TYR 40 Cb 0.61 -0.70 -0.11 0.00 -0.02 0.00 0.00 39.34 39.12 2dwv n TYR 40 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 2dwv s ARG 41 N -2.52 0.32 0.41 -0.72 1.70 -1.26 -5.02 118.95 111.86 2dwv s ARG 41 Ca 0.44 -0.28 -0.26 0.00 -0.47 0.00 0.00 55.73 55.15 2dwv s ARG 41 Cb 0.36 0.13 -0.09 0.00 -0.57 0.00 0.00 34.95 34.78 2dwv s ARG 41 CO 0.10 -0.06 1.42 -1.58 -1.08 0.00 0.00 175.30 174.09 2dwv s HIS 42 N -0.93 2.59 0.10 5.89 5.65 -1.26 -4.76 115.29 122.56 2dwv s HIS 42 Ca -0.10 1.26 -0.31 0.00 0.25 0.00 0.00 55.06 56.16 2dwv s HIS 42 Cb -0.06 -3.90 -0.13 0.00 -1.18 0.00 0.00 32.58 27.31 2dwv s HIS 42 CO 0.00 -2.77 1.61 -1.00 -0.65 0.00 0.00 174.74 171.93 2dwv h PRO 43 N 2.65 -0.70 0.01 2.88 0.13 -1.99 -3.33 132.00 131.66 2dwv h PRO 43 Ca -0.51 0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2dwv h PRO 43 Cb 1.25 0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.54 2dwv h PRO 43 CO 0.62 -0.46 -0.02 1.03 -0.23 0.00 0.00 178.00 178.95 2dwv h SER 44 N -0.72 -0.04 -3.03 1.44 0.87 -2.00 -3.49 113.55 106.58 2dwv h SER 44 Ca -0.02 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2dwv h SER 44 Cb 0.67 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2dwv h SER 44 CO -0.10 -0.02 -0.01 0.61 -0.53 0.00 0.00 176.83 176.78 2dwv n GLY 45 N -1.02 -1.74 3.69 5.77 0.00 -1.25 -4.73 105.19 105.92 2dwv n GLY 45 Ca -0.00 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.10 4.27 0.25 1.61 0.04 -1.26 -4.96 135.00 134.85 2dwv s PRO 46 Ca 0.00 2.07 -0.08 0.00 0.04 0.00 0.00 61.00 63.03 2dwv s PRO 46 Cb 0.00 -3.53 0.03 0.00 0.04 0.00 0.00 34.50 31.05 2dwv s PRO 46 CO 0.00 -0.59 0.48 0.45 0.04 0.00 0.00 177.00 177.38 2dwv n SER 47 N 5.20 -1.39 0.00 6.66 2.88 -1.26 -5.11 113.62 120.60 2dwv n SER 47 Ca 0.14 -2.05 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 2dwv n SER 47 Cb 0.43 2.34 0.00 0.00 -0.75 0.00 0.00 64.21 66.22 2dwv n SER 47 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dwv n SER 48 N -1.41 0.00 -0.77 -3.46 2.88 -1.26 -4.88 113.62 104.72 2dwv n SER 48 Ca -0.05 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.62 2dwv n SER 48 Cb 0.38 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.11 2dwv n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42