#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 1.46 0.30 1.61 1.04 -1.26 -5.11 113.70 111.74 2dwv s SER 2 Ca 0.00 0.62 -0.12 0.00 0.48 0.00 0.00 55.95 56.93 2dwv s SER 2 Cb 0.00 -0.87 0.01 0.00 0.10 0.00 0.00 66.02 65.26 2dwv s SER 2 CO 0.00 -3.79 0.57 -0.55 0.98 0.00 0.00 173.24 170.45 2dwv s SER 3 N -4.03 0.11 -0.50 7.02 0.15 -1.26 -5.06 113.70 110.14 2dwv s SER 3 Ca 0.71 -1.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.31 2dwv s SER 3 Cb -0.09 0.67 0.36 0.00 -1.71 0.00 0.00 66.02 65.25 2dwv s SER 3 CO 0.56 -1.30 2.00 0.61 1.20 0.00 0.00 173.24 176.30 2dwv n GLY 4 N -0.46 4.98 3.03 9.45 0.00 -1.26 -4.91 105.19 116.02 2dwv n GLY 4 Ca -0.03 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.93 1.18 0.80 1.61 0.01 -1.26 -5.16 113.70 109.94 2dwv s SER 5 Ca 0.49 -0.18 -0.12 0.00 1.31 0.00 0.00 55.95 57.46 2dwv s SER 5 Cb 0.39 -0.17 0.07 0.00 0.21 0.00 0.00 66.02 66.52 2dwv s SER 5 CO 0.00 0.11 1.13 -0.94 0.41 0.00 0.00 173.24 173.95 2dwv s SER 6 N -0.14 4.58 0.39 2.44 1.04 -1.26 -5.09 113.70 115.65 2dwv s SER 6 Ca 0.02 1.04 -0.11 0.00 0.48 0.00 0.00 55.95 57.39 2dwv s SER 6 Cb -0.05 -1.70 0.04 0.00 0.10 0.00 0.00 66.02 64.41 2dwv s SER 6 CO -0.00 -1.88 0.70 -0.83 0.98 0.00 0.00 173.24 172.20 2dwv s GLY 7 N -4.25 0.80 0.12 7.32 0.00 -1.26 -5.06 107.32 104.99 2dwv s GLY 7 Ca 0.61 -1.05 -0.11 0.00 0.00 0.00 0.00 44.72 44.17 2dwv s GLY 7 CO 0.52 -0.56 1.37 -0.56 0.00 0.00 0.00 173.10 173.87 2dwv h PRO 8 N 2.02 0.79 -3.79 2.90 0.13 -2.07 -3.46 132.00 128.52 2dwv h PRO 8 Ca -0.32 -0.58 -0.14 0.00 -0.87 0.00 0.00 66.00 64.09 2dwv h PRO 8 Cb 1.25 0.10 -0.19 0.00 0.13 0.00 0.00 31.00 32.28 2dwv h PRO 8 CO 0.41 1.20 -0.57 -0.51 -0.23 0.00 0.00 178.00 178.29 2dwv s LEU 9 N -8.49 1.89 0.00 1.56 1.43 -1.26 -4.96 118.68 108.85 2dwv s LEU 9 Ca -0.10 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2dwv s LEU 9 Cb 0.09 0.45 0.00 0.00 0.03 0.00 0.00 46.19 46.77 2dwv s LEU 9 CO 0.89 -0.41 0.00 -0.62 0.23 0.00 0.00 176.35 176.44 2dwv n GLU 10 N 1.19 0.93 0.00 1.70 -0.58 -1.26 -5.08 120.64 117.55 2dwv n GLU 10 Ca -0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 2dwv n GLU 10 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 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 -0.90 0.22 -1.20 3.49 1.74 -1.26 -5.11 116.66 113.64 2dwv n ARG 11 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 2dwv n ARG 11 Cb 0.00 -0.53 0.18 0.00 -1.02 0.00 0.00 32.46 31.09 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 -1.07 0.26 0.91 5.56 2.02 -1.26 -5.05 118.70 120.08 2dwv s GLU 12 Ca 0.00 0.40 -0.13 0.00 0.02 0.00 0.00 54.97 55.27 2dwv s GLU 12 Cb 0.00 -1.73 0.14 0.00 0.10 0.00 0.00 34.13 32.64 2dwv s GLU 12 CO 0.00 -2.82 1.15 0.20 0.02 0.00 0.00 175.26 173.82 2dwv s GLY 13 N -3.57 1.59 0.62 -1.39 0.00 -1.26 -5.07 107.32 98.24 2dwv s GLY 13 Ca 0.66 -0.61 -0.09 0.00 0.00 0.00 0.00 44.72 44.68 2dwv s GLY 13 CO 0.57 -0.03 0.98 1.08 0.00 0.00 0.00 173.10 175.70 2dwv s LEU 14 N -6.01 3.19 0.80 0.66 1.43 -1.26 -5.08 118.68 112.41 2dwv s LEU 14 Ca 0.65 1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 54.69 2dwv s LEU 14 Cb -0.13 -3.96 0.07 0.00 0.03 0.00 0.00 46.19 42.20 2dwv s LEU 14 CO 0.53 -1.03 1.10 -2.16 0.23 0.00 0.00 176.35 175.02 2dwv s PRO 15 N -5.12 2.08 0.54 1.29 0.04 -1.26 -4.97 135.00 127.60 2dwv s PRO 15 Ca 0.54 0.62 -0.20 0.00 0.04 0.00 0.00 61.00 62.00 2dwv s PRO 15 Cb -0.11 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2dwv s PRO 15 CO 0.49 -1.62 1.18 -1.25 0.04 0.00 0.00 177.00 175.84 2dwv s PRO 16 N -5.17 3.30 0.00 0.56 0.04 -1.26 -2.49 135.00 129.98 2dwv s PRO 16 Ca 0.61 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2dwv s PRO 16 Cb -0.14 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2dwv s PRO 16 CO 0.54 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 177.07 2dwv n GLY 17 N 0.37 1.79 3.50 0.56 0.00 -1.26 -5.03 105.19 105.12 2dwv n GLY 17 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.44 2.88 0.16 1.61 0.52 -1.04 -2.91 118.94 117.72 2dwv s TRP 18 Ca 0.00 -0.21 0.11 0.00 0.02 0.00 0.00 56.10 56.02 2dwv s TRP 18 Cb 0.00 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 2dwv s TRP 18 CO 0.00 0.13 -0.25 -2.00 0.02 0.00 0.00 176.95 174.85 2dwv s GLU 19 N -0.35 1.50 -0.20 4.98 2.56 -1.21 -4.75 118.70 121.22 2dwv s GLU 19 Ca 0.04 -1.42 -0.01 0.00 0.00 0.00 0.00 54.97 53.58 2dwv s GLU 19 Cb -0.12 -1.90 0.00 0.00 2.00 0.00 0.00 34.13 34.11 2dwv s GLU 19 CO 0.02 0.43 -0.12 0.50 -0.56 0.00 0.00 175.26 175.53 2dwv s ARG 20 N -2.37 3.20 -0.11 4.30 3.52 -1.26 -3.24 118.95 122.99 2dwv s ARG 20 Ca 0.18 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 55.02 2dwv s ARG 20 Cb -0.09 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 2dwv s ARG 20 CO 0.08 -0.18 0.05 0.08 -0.81 0.00 0.00 175.30 174.52 2dwv s VAL 21 N 1.34 4.72 -0.09 7.11 1.01 -0.76 -5.01 120.40 128.72 2dwv s VAL 21 Ca 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2dwv s VAL 21 Cb -0.14 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.22 2dwv s VAL 21 CO -0.07 0.59 -0.18 -1.83 0.00 0.00 0.00 175.10 173.61 2dwv s GLU 22 N -0.75 2.43 0.22 2.72 -1.05 -1.26 -2.01 118.70 119.00 2dwv s GLU 22 Ca 0.12 -0.66 -0.09 0.00 -0.15 0.00 0.00 54.97 54.19 2dwv s GLU 22 Cb -0.12 -1.92 -0.02 0.00 -0.44 0.00 0.00 34.13 31.64 2dwv s GLU 22 CO 0.03 0.08 0.35 -1.12 0.95 0.00 0.00 175.26 175.54 2dwv s SER 23 N 0.58 -0.00 -0.07 0.83 0.01 0.17 -5.00 113.70 110.21 2dwv s SER 23 Ca -0.15 -1.05 0.15 0.00 1.31 0.00 0.00 55.95 56.21 2dwv s SER 23 Cb -0.17 0.50 -0.22 0.00 0.21 0.00 0.00 66.02 66.35 2dwv s SER 23 CO 0.05 -1.01 0.23 -1.20 0.41 0.00 0.00 173.24 171.71 2dwv n SER 24 N -0.32 1.43 0.09 2.44 7.64 -1.26 -2.51 113.62 121.13 2dwv n SER 24 Ca -0.01 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.72 2dwv n SER 24 Cb 0.63 1.38 -0.09 0.00 -1.01 0.00 0.00 64.21 65.12 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 0.32 0.00 1.43 4.57 -2.06 -3.39 114.58 115.44 2dwv h GLU 25 Ca -0.15 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 2dwv h GLU 25 Cb 1.17 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2dwv h GLU 25 CO 0.01 1.16 -0.03 1.19 -1.18 0.00 0.00 179.01 180.16 2dwv n PHE 26 N -3.62 0.01 0.00 0.92 3.72 -1.26 -5.13 117.46 112.10 2dwv n PHE 26 Ca -0.07 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2dwv n PHE 26 Cb 0.94 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 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 1.58 0.46 3.48 1.37 0.00 -1.04 -5.03 105.19 106.00 2dwv n GLY 27 Ca -0.00 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.88 3.58 0.16 2.61 2.01 -1.26 -0.66 115.64 121.20 2dwv s THR 28 Ca 0.00 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 2dwv s THR 28 Cb 0.00 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 2dwv s THR 28 CO 0.00 0.53 0.13 -0.72 -0.69 0.00 0.00 174.62 173.86 2dwv s TYR 29 N 0.10 0.83 -0.02 4.92 1.13 -0.85 -4.96 117.35 118.50 2dwv s TYR 29 Ca -0.03 -1.17 0.07 0.00 -1.41 0.00 0.00 57.07 54.53 2dwv s TYR 29 Cb -0.14 -0.40 -0.02 0.00 -1.10 0.00 0.00 41.96 40.30 2dwv s TYR 29 CO 0.03 -0.60 -0.23 0.71 -2.51 0.00 0.00 175.55 172.96 2dwv s TYR 30 N -4.06 2.04 0.10 -3.49 2.02 -0.25 -1.82 117.35 111.89 2dwv s TYR 30 Ca 0.26 -0.40 0.10 0.00 -0.37 0.00 0.00 57.07 56.65 2dwv s TYR 30 Cb 0.06 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 2dwv s TYR 30 CO 0.04 -0.05 -0.25 0.08 -1.57 0.00 0.00 175.55 173.80 2dwv s VAL 31 N -0.50 2.05 -0.32 0.71 1.01 -1.20 -0.70 120.40 121.46 2dwv s VAL 31 Ca 0.08 -1.57 -0.07 0.00 0.00 0.00 0.00 61.98 60.42 2dwv s VAL 31 Cb -0.09 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.50 2dwv s VAL 31 CO -0.01 0.13 0.10 -0.62 0.00 0.00 0.00 175.10 174.71 2dwv s ASP 32 N -1.75 5.26 0.54 3.32 2.15 0.06 -3.32 116.67 122.93 2dwv s ASP 32 Ca 0.11 -0.85 0.33 0.00 0.43 0.00 0.00 52.55 52.57 2dwv s ASP 32 Cb -0.10 -1.90 1.40 0.00 -0.30 0.00 0.00 42.92 42.02 2dwv s ASP 32 CO 0.04 -0.25 2.00 0.45 -0.17 0.00 0.00 175.17 177.25 2dwv h HIS 33 N 8.26 0.00 -0.01 -5.34 3.86 -1.85 0.15 115.15 120.21 2dwv h HIS 33 Ca -0.29 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.77 2dwv h HIS 33 Cb 1.11 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 2dwv h HIS 33 CO 0.60 0.05 -0.69 1.15 0.86 0.00 0.00 177.93 179.90 2dwv h THR 34 N 0.00 1.47 0.00 2.45 2.02 -1.94 -3.36 112.91 113.55 2dwv h THR 34 Ca -0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 2dwv h THR 34 Cb 0.49 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2dwv h THR 34 CO 0.01 0.66 0.00 0.59 0.37 0.00 0.00 175.52 177.15 2dwv n ASN 35 N -3.75 0.48 -3.53 4.18 3.02 -1.17 -5.04 115.26 109.46 2dwv n ASN 35 Ca -0.02 -0.92 -0.20 0.00 -0.03 0.00 0.00 54.58 53.41 2dwv n ASN 35 Cb 0.68 0.06 0.08 0.00 -0.61 0.00 0.00 39.78 39.98 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 -0.06 -6.79 -4.51 3.52 4.76 0.52 -5.02 118.16 110.58 2dwv n LYS 36 Ca 0.00 0.81 -0.24 0.00 -2.87 0.00 0.00 58.31 56.00 2dwv n LYS 36 Cb 0.10 -5.79 -0.14 0.00 -1.84 0.00 0.00 35.03 27.37 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 -5.76 1.27 -0.05 1.97 0.52 -1.18 -4.95 118.95 110.76 2dwv s ARG 37 Ca 0.20 -0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 54.41 2dwv s ARG 37 Cb -0.09 -1.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.94 2dwv s ARG 37 CO 0.74 0.35 0.03 0.00 0.02 0.00 0.00 175.30 176.44 2dwv s ALA 38 N -0.91 3.38 0.12 2.13 0.00 -1.26 -0.76 121.76 124.46 2dwv s ALA 38 Ca 0.06 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 2dwv s ALA 38 Cb -0.09 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.54 2dwv s ALA 38 CO 0.02 0.62 0.27 1.14 0.00 0.00 0.00 175.76 177.82 2dwv s GLN 39 N -1.21 0.99 -0.08 0.00 -2.07 0.12 -5.00 119.66 112.40 2dwv s GLN 39 Ca 0.17 -0.96 0.15 0.00 -1.82 0.00 0.00 55.36 52.90 2dwv s GLN 39 Cb -0.12 0.38 0.52 0.00 -1.09 0.00 0.00 33.01 32.71 2dwv s GLN 39 CO 0.06 -0.35 1.44 0.66 -1.32 0.00 0.00 175.29 175.78 2dwv n TYR 40 N -0.14 0.95 -4.43 9.60 4.02 -1.26 -1.09 117.16 124.81 2dwv n TYR 40 Ca -0.13 -0.64 -0.24 0.00 -0.01 0.00 0.00 57.90 56.88 2dwv n TYR 40 Cb 0.63 -0.17 -0.09 0.00 -0.02 0.00 0.00 39.34 39.68 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 -1.76 1.82 0.18 -0.72 1.70 -1.26 -4.95 118.95 113.96 2dwv s ARG 41 Ca 0.39 -1.70 -0.30 0.00 -0.47 0.00 0.00 55.73 53.64 2dwv s ARG 41 Cb 0.25 -1.85 -0.08 0.00 -0.57 0.00 0.00 34.95 32.70 2dwv s ARG 41 CO 0.18 0.33 1.31 -1.58 -1.08 0.00 0.00 175.30 174.45 2dwv s HIS 42 N -2.48 3.27 -0.57 5.89 5.65 -1.26 -4.81 115.29 120.99 2dwv s HIS 42 Ca 0.30 1.21 0.00 0.00 0.25 0.00 0.00 55.06 56.82 2dwv s HIS 42 Cb -0.05 -3.60 0.00 0.00 -1.18 0.00 0.00 32.58 27.76 2dwv s HIS 42 CO 0.16 -1.87 0.36 -0.35 -0.65 0.00 0.00 174.74 172.39 2dwv n PRO 43 N 2.80 0.50 -0.22 2.88 -0.04 -1.26 -4.06 135.00 135.61 2dwv n PRO 43 Ca 0.07 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.48 2dwv n PRO 43 Cb 0.43 -1.25 0.12 0.00 -0.04 0.00 0.00 33.50 32.76 2dwv n PRO 43 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dwv h SER 44 N 0.71 0.96 -3.15 3.54 4.64 -2.02 -3.49 113.55 114.73 2dwv h SER 44 Ca 0.00 -0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.21 2dwv h SER 44 Cb 0.36 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2dwv h SER 44 CO 0.00 0.89 -0.07 0.61 -0.87 0.00 0.00 176.83 177.39 2dwv n GLY 45 N -0.84 -1.82 3.77 -0.77 0.00 -1.26 -4.90 105.19 99.37 2dwv n GLY 45 Ca 0.05 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.51 1.41 0.29 1.61 0.04 -1.26 -5.10 135.00 131.48 2dwv s PRO 46 Ca 0.00 0.52 0.11 0.00 0.04 0.00 0.00 61.00 61.67 2dwv s PRO 46 Cb 0.00 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2dwv s PRO 46 CO 0.00 -2.06 -0.16 0.45 0.04 0.00 0.00 177.00 175.26 2dwv s SER 47 N -3.82 3.48 -0.25 6.66 0.15 -1.26 -5.14 113.70 113.52 2dwv s SER 47 Ca 0.63 -1.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.18 2dwv s SER 47 Cb -0.16 -0.29 0.12 0.00 -1.71 0.00 0.00 66.02 63.99 2dwv s SER 47 CO 0.55 -0.06 0.30 -0.55 1.20 0.00 0.00 173.24 174.67 2dwv s SER 48 N -3.51 1.17 0.00 5.45 0.15 -1.26 -5.29 113.70 110.41 2dwv s SER 48 Ca 0.30 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2dwv s SER 48 Cb -0.02 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2dwv s SER 48 CO 0.14 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.85