#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 2.56 0.06 1.61 0.01 -1.26 -5.07 113.70 111.62 2dwv s SER 2 Ca 0.00 2.04 -0.03 0.00 1.31 0.00 0.00 55.95 59.27 2dwv s SER 2 Cb 0.00 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 2dwv s SER 2 CO 0.00 -3.30 0.03 -0.44 0.41 0.00 0.00 173.24 169.94 2dwv s SER 3 N -2.67 0.37 0.00 2.44 0.01 -1.26 -4.91 113.70 107.67 2dwv s SER 3 Ca 0.67 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2dwv s SER 3 Cb -0.23 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2dwv s SER 3 CO 0.59 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2dwv n GLY 4 N 0.20 1.00 0.00 3.44 0.00 -1.26 -5.14 105.19 103.42 2dwv n GLY 4 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2dwv n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dwv n SER 5 N 0.00 -0.27 -4.01 1.61 3.41 -1.26 -5.08 113.62 108.03 2dwv n SER 5 Ca 0.00 -0.77 -0.29 0.00 -0.26 0.00 0.00 58.87 57.55 2dwv n SER 5 Cb 0.00 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.21 2dwv n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dwv s SER 6 N -1.15 0.15 1.04 4.04 1.04 -1.26 -5.01 113.70 112.54 2dwv s SER 6 Ca 0.00 1.13 -0.13 0.00 0.48 0.00 0.00 55.95 57.43 2dwv s SER 6 Cb 0.00 -1.69 0.17 0.00 0.10 0.00 0.00 66.02 64.60 2dwv s SER 6 CO 0.00 -4.66 0.79 0.61 0.98 0.00 0.00 173.24 170.96 2dwv n GLY 7 N 0.78 -1.54 0.06 7.32 0.00 -1.26 -4.98 105.19 105.59 2dwv n GLY 7 Ca 0.08 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 2dwv n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dwv h PRO 8 N -2.12 0.03 0.00 1.61 0.13 -1.98 -3.49 132.00 126.18 2dwv h PRO 8 Ca -0.51 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2dwv h PRO 8 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2dwv h PRO 8 CO 0.42 0.55 0.00 1.47 -0.23 0.00 0.00 178.00 180.21 2dwv n LEU 9 N -4.81 0.00 -4.58 1.56 -0.00 -1.26 -4.98 117.00 102.93 2dwv n LEU 9 Ca -0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.63 2dwv n LEU 9 Cb 0.28 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 43.94 2dwv n LEU 9 CO 0.34 0.00 0.61 -1.61 -0.00 0.00 0.00 177.39 176.73 2dwv s GLU 10 N -1.09 -1.29 0.00 1.47 0.41 -1.26 -5.04 118.70 111.89 2dwv s GLU 10 Ca 0.00 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.50 2dwv s GLU 10 Cb 0.00 -1.59 0.00 0.00 -1.78 0.00 0.00 34.13 30.76 2dwv s GLU 10 CO 0.00 -3.76 0.00 2.89 -0.49 0.00 0.00 175.26 173.90 2dwv n ARG 11 N -4.80 3.90 0.00 1.61 0.00 -1.26 -4.81 116.66 111.31 2dwv n ARG 11 Ca 0.13 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.03 2dwv n ARG 11 Cb 0.59 -0.34 0.26 0.00 -0.00 0.00 0.00 32.46 32.98 2dwv n ARG 11 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2dwv n GLU 12 N -0.61 0.24 -2.44 2.89 0.28 -1.26 -4.82 120.64 114.92 2dwv n GLU 12 Ca 0.00 0.07 -0.03 0.00 -0.16 0.00 0.00 57.16 57.04 2dwv n GLU 12 Cb 0.00 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.38 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 -0.45 1.22 3.15 -1.84 0.00 -1.26 -5.18 105.19 100.82 2dwv n GLY 13 Ca 0.06 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 2.44 0.64 0.99 1.43 -1.26 -5.03 118.68 117.89 2dwv s LEU 14 Ca 0.09 -0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 2dwv s LEU 14 Cb -0.02 -0.13 -0.01 0.00 0.03 0.00 0.00 46.19 46.06 2dwv s LEU 14 CO 0.04 -0.38 1.09 -2.16 0.23 0.00 0.00 176.35 175.17 2dwv s PRO 15 N -3.20 2.97 -0.16 1.29 0.04 -1.26 -4.94 135.00 129.73 2dwv s PRO 15 Ca 0.06 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 2dwv s PRO 15 Cb 0.01 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2dwv s PRO 15 CO -0.03 -1.11 1.59 -1.25 0.04 0.00 0.00 177.00 176.24 2dwv s PRO 16 N -4.12 3.96 0.00 0.56 0.04 -1.26 -2.12 135.00 132.07 2dwv s PRO 16 Ca 0.66 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2dwv s PRO 16 Cb -0.19 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2dwv s PRO 16 CO 0.40 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.76 2dwv n GLY 17 N 4.38 0.50 3.32 0.56 0.00 -1.26 -5.13 105.19 107.56 2dwv n GLY 17 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.46 2.20 0.13 1.61 0.52 -0.90 -3.46 118.94 117.58 2dwv s TRP 18 Ca 0.00 -0.40 0.09 0.00 0.02 0.00 0.00 56.10 55.81 2dwv s TRP 18 Cb 0.00 -1.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.95 2dwv s TRP 18 CO 0.00 0.11 -0.18 -2.00 0.02 0.00 0.00 176.95 174.89 2dwv s GLU 19 N -1.18 1.76 -0.09 4.98 2.56 -0.93 -4.85 118.70 120.95 2dwv s GLU 19 Ca 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 54.97 53.85 2dwv s GLU 19 Cb -0.10 -2.08 -0.03 0.00 2.00 0.00 0.00 34.13 33.93 2dwv s GLU 19 CO 0.02 0.47 -0.08 0.50 -0.56 0.00 0.00 175.26 175.61 2dwv s ARG 20 N -2.23 2.99 -0.15 4.30 3.52 -1.26 -0.97 118.95 125.15 2dwv s ARG 20 Ca 0.18 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.23 2dwv s ARG 20 Cb -0.10 -2.64 0.01 0.00 -1.56 0.00 0.00 34.95 30.66 2dwv s ARG 20 CO 0.10 0.52 -0.20 0.08 -0.81 0.00 0.00 175.30 174.99 2dwv s VAL 21 N -0.42 2.19 -0.27 7.11 1.01 -0.12 -4.98 120.40 124.91 2dwv s VAL 21 Ca 0.06 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2dwv s VAL 21 Cb -0.12 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.42 2dwv s VAL 21 CO 0.02 0.54 -0.07 -1.83 0.00 0.00 0.00 175.10 173.77 2dwv s GLU 22 N 0.89 2.40 0.37 2.72 -1.05 -1.26 -2.13 118.70 120.63 2dwv s GLU 22 Ca -0.05 -1.26 0.04 0.00 -0.15 0.00 0.00 54.97 53.55 2dwv s GLU 22 Cb -0.15 -3.00 -0.06 0.00 -0.44 0.00 0.00 34.13 30.48 2dwv s GLU 22 CO -0.03 -0.56 0.05 -1.54 0.95 0.00 0.00 175.26 174.13 2dwv s SER 23 N 1.19 2.91 -0.05 0.83 1.04 -0.37 -5.02 113.70 114.24 2dwv s SER 23 Ca -0.06 -1.43 0.12 0.00 0.48 0.00 0.00 55.95 55.06 2dwv s SER 23 Cb -0.19 -0.05 -0.18 0.00 0.10 0.00 0.00 66.02 65.70 2dwv s SER 23 CO -0.04 -0.62 0.20 -1.20 0.98 0.00 0.00 173.24 172.56 2dwv n SER 24 N -0.87 2.12 0.16 7.02 7.64 -1.26 -2.97 113.62 125.46 2dwv n SER 24 Ca -0.05 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.95 2dwv n SER 24 Cb 0.67 1.33 0.16 0.00 -1.01 0.00 0.00 64.21 65.36 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 4.81 -2.05 -3.40 114.58 115.37 2dwv h GLU 25 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2dwv h GLU 25 Cb 0.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2dwv h GLU 25 CO 0.01 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.48 2dwv n PHE 26 N -2.77 -0.21 0.00 0.92 3.72 -1.26 -5.14 117.46 112.72 2dwv n PHE 26 Ca 0.03 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2dwv n PHE 26 Cb 0.51 0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 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 3.32 1.12 3.31 1.37 0.00 -1.16 -5.02 105.19 108.14 2dwv n GLY 27 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.02 0.22 2.61 2.01 -1.26 -1.23 115.64 117.98 2dwv s THR 28 Ca 0.00 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 2dwv s THR 28 Cb 0.00 -0.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 2dwv s THR 28 CO 0.00 0.03 0.35 -0.72 -0.69 0.00 0.00 174.62 173.59 2dwv s TYR 29 N 1.11 0.61 0.16 4.92 1.13 -0.91 -4.86 117.35 119.51 2dwv s TYR 29 Ca -0.07 -0.93 0.11 0.00 -1.41 0.00 0.00 57.07 54.77 2dwv s TYR 29 Cb -0.07 -0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.69 2dwv s TYR 29 CO -0.10 -0.86 -0.23 0.71 -2.51 0.00 0.00 175.55 172.56 2dwv s TYR 30 N -4.06 2.36 -0.10 -3.49 2.02 -0.29 -0.94 117.35 112.85 2dwv s TYR 30 Ca 0.27 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.66 2dwv s TYR 30 Cb 0.02 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 2dwv s TYR 30 CO 0.09 0.44 -0.21 0.08 -1.57 0.00 0.00 175.55 174.38 2dwv s VAL 31 N -1.41 2.40 -0.51 0.71 1.01 -0.14 -0.89 120.40 121.57 2dwv s VAL 31 Ca 0.19 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 2dwv s VAL 31 Cb -0.09 -1.94 0.08 0.00 0.00 0.00 0.00 36.38 34.44 2dwv s VAL 31 CO 0.09 0.55 0.51 -0.62 0.00 0.00 0.00 175.10 175.63 2dwv s ASP 32 N 0.17 6.18 0.50 3.32 2.15 -0.27 -2.19 116.67 126.52 2dwv s ASP 32 Ca -0.12 -1.34 0.33 0.00 0.43 0.00 0.00 52.55 51.86 2dwv s ASP 32 Cb -0.16 -2.23 1.53 0.00 -0.30 0.00 0.00 42.92 41.76 2dwv s ASP 32 CO 0.06 -0.80 1.99 0.45 -0.17 0.00 0.00 175.17 176.70 2dwv h HIS 33 N 8.89 0.00 0.07 -5.34 3.86 -1.87 -0.33 115.15 120.43 2dwv h HIS 33 Ca -0.29 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.67 2dwv h HIS 33 Cb 1.10 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.58 2dwv h HIS 33 CO 0.71 0.00 -1.10 1.15 0.86 0.00 0.00 177.93 179.55 2dwv h THR 34 N 0.00 1.44 -0.02 2.45 2.02 -1.93 -3.36 112.91 113.51 2dwv h THR 34 Ca 0.00 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.46 2dwv h THR 34 Cb 0.31 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2dwv h THR 34 CO 0.00 0.80 0.00 0.59 0.37 0.00 0.00 175.52 177.28 2dwv n ASN 35 N -3.66 1.55 -3.76 4.18 3.02 -1.18 -5.02 115.26 110.40 2dwv n ASN 35 Ca -0.08 -1.47 -0.24 0.00 -0.03 0.00 0.00 54.58 52.76 2dwv n ASN 35 Cb 0.93 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 40.12 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 -0.12 -5.08 -5.06 3.52 4.76 -0.14 -5.00 118.16 111.03 2dwv n LYS 36 Ca 0.01 0.61 -0.30 0.00 -2.87 0.00 0.00 58.31 55.76 2dwv n LYS 36 Cb 0.14 -5.25 -0.15 0.00 -1.84 0.00 0.00 35.03 27.93 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 1.91 -0.12 1.97 0.52 -1.18 -4.98 118.95 110.91 2dwv s ARG 37 Ca 0.18 -1.03 -0.06 0.00 -0.52 0.00 0.00 55.73 54.30 2dwv s ARG 37 Cb -0.09 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 2dwv s ARG 37 CO 0.82 0.53 0.10 0.00 0.02 0.00 0.00 175.30 176.77 2dwv s ALA 38 N -0.72 3.71 -0.05 2.13 0.00 -1.26 -1.12 121.76 124.45 2dwv s ALA 38 Ca 0.11 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 2dwv s ALA 38 Cb -0.10 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.18 2dwv s ALA 38 CO 0.01 0.56 0.31 1.14 0.00 0.00 0.00 175.76 177.78 2dwv s GLN 39 N -0.84 0.57 0.00 0.00 -2.07 -0.07 -4.99 119.66 112.25 2dwv s GLN 39 Ca 0.14 0.03 0.22 0.00 -1.82 0.00 0.00 55.36 53.93 2dwv s GLN 39 Cb -0.12 0.26 0.97 0.00 -1.09 0.00 0.00 33.01 33.03 2dwv s GLN 39 CO 0.03 -0.13 1.67 0.66 -1.32 0.00 0.00 175.29 176.20 2dwv n TYR 40 N 1.85 0.11 -4.93 9.60 4.01 -1.26 -1.14 117.16 125.40 2dwv n TYR 40 Ca -0.19 -0.05 -0.29 0.00 -0.16 0.00 0.00 57.90 57.21 2dwv n TYR 40 Cb 0.57 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.89 1.77 0.42 -0.72 3.03 -1.26 -4.98 118.95 115.32 2dwv s ARG 41 Ca 0.33 -1.04 -0.26 0.00 2.03 0.00 0.00 55.73 56.80 2dwv s ARG 41 Cb 0.17 -1.89 -0.09 0.00 -1.03 0.00 0.00 34.95 32.12 2dwv s ARG 41 CO 0.27 0.49 1.40 -1.58 -1.13 0.00 0.00 175.30 174.76 2dwv s HIS 42 N -0.76 2.59 1.12 5.89 2.46 -1.26 -4.81 115.29 120.53 2dwv s HIS 42 Ca 0.11 1.29 -0.18 0.00 0.47 0.00 0.00 55.06 56.74 2dwv s HIS 42 Cb -0.10 -3.87 0.26 0.00 -0.13 0.00 0.00 32.58 28.74 2dwv s HIS 42 CO 0.01 -2.70 1.19 -1.25 -2.47 0.00 0.00 174.74 169.52 2dwv s PRO 43 N -2.31 -0.62 0.25 2.88 0.04 -1.26 -5.11 135.00 128.88 2dwv s PRO 43 Ca 0.58 -0.22 0.02 0.00 0.04 0.00 0.00 61.00 61.42 2dwv s PRO 43 Cb -0.43 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2dwv s PRO 43 CO 0.56 -3.29 0.07 -1.12 0.04 0.00 0.00 177.00 173.26 2dwv s SER 44 N -4.28 1.40 0.15 6.66 0.01 -1.26 -4.94 113.70 111.45 2dwv s SER 44 Ca 0.72 -1.34 0.02 0.00 1.31 0.00 0.00 55.95 56.66 2dwv s SER 44 Cb -0.07 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 2dwv s SER 44 CO 0.55 -0.67 0.30 -0.83 0.41 0.00 0.00 173.24 172.99 2dwv s GLY 45 N -3.32 1.72 0.44 3.44 0.00 -1.26 -5.00 107.32 103.35 2dwv s GLY 45 Ca 0.35 -1.01 0.28 0.00 0.00 0.00 0.00 44.72 44.35 2dwv s GLY 45 CO 0.12 -1.00 1.82 -0.56 0.00 0.00 0.00 173.10 173.48 2dwv h PRO 46 N 2.13 0.00 -5.07 2.90 0.13 -2.04 -3.46 132.00 126.60 2dwv h PRO 46 Ca -0.48 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.24 2dwv h PRO 46 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 2dwv h PRO 46 CO 0.69 0.00 -0.62 0.45 -0.23 0.00 0.00 178.00 178.28 2dwv s SER 47 N -5.48 1.81 0.00 1.44 0.15 -1.26 -5.08 113.70 105.28 2dwv s SER 47 Ca 0.04 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.35 2dwv s SER 47 Cb 0.08 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2dwv s SER 47 CO 0.56 -0.63 0.00 -1.20 1.20 0.00 0.00 173.24 173.17 2dwv n SER 48 N -0.54 0.00 0.00 5.45 7.64 -1.26 -5.18 113.62 119.73 2dwv n SER 48 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2dwv n SER 48 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 2dwv n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64