#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brc n ARG 2 N 0.00 0.00 -0.27 1.45 3.00 -1.26 -4.10 116.66 115.47 1brc n ARG 2 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.92 1brc n ARG 2 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 32.46 32.68 1brc n ARG 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1brc h GLU 3 N 0.00 0.45 -0.54 -0.14 4.81 -2.01 -1.18 114.58 115.98 1brc h GLU 3 Ca 0.00 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1brc h GLU 3 Cb 0.00 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 1brc h GLU 3 CO 0.00 0.30 0.26 -0.39 -0.73 0.00 0.00 179.01 178.44 1brc h VAL 4 N 0.46 0.92 0.00 0.32 -1.51 -1.96 -2.60 116.25 111.88 1brc h VAL 4 Ca 0.45 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.76 1brc h VAL 4 Cb 0.72 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1brc h VAL 4 CO -0.43 0.09 0.00 0.00 -1.23 0.00 0.00 177.57 176.00 1brc n SER 6 N -1.59 0.60 -4.76 0.00 3.41 -0.98 -4.42 113.62 105.88 1brc n SER 6 Ca 0.02 -0.27 -0.41 0.00 -0.26 0.00 0.00 58.87 57.96 1brc n SER 6 Cb 0.13 0.91 -0.02 0.00 -0.26 0.00 0.00 64.21 64.96 1brc n SER 6 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1brc s GLU 7 N -3.20 4.38 0.43 4.33 2.02 -0.99 -4.94 118.70 120.72 1brc s GLU 7 Ca 0.03 2.16 -0.26 0.00 0.02 0.00 0.00 54.97 56.92 1brc s GLU 7 Cb 0.14 -3.11 -0.09 0.00 0.10 0.00 0.00 34.13 31.18 1brc s GLU 7 CO 0.82 -0.20 1.38 1.14 0.02 0.00 0.00 175.26 178.41 1brc s GLN 8 N -1.20 3.83 0.37 1.61 1.03 -1.26 -4.83 119.66 119.22 1brc s GLN 8 Ca 0.52 2.31 -0.28 0.00 0.04 0.00 0.00 55.36 57.95 1brc s GLN 8 Cb -0.39 -2.71 -0.11 0.00 0.03 0.00 0.00 33.01 29.83 1brc s GLN 8 CO 0.47 -0.66 1.48 0.00 -2.54 0.00 0.00 175.29 174.04 1brc n ALA 9 N -0.02 2.34 -3.55 2.60 0.00 -1.26 -4.92 120.51 115.69 1brc n ALA 9 Ca 0.04 0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 1brc n ALA 9 Cb 0.42 -2.42 -0.16 0.00 0.00 0.00 0.00 19.45 17.30 1brc n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1brc s GLU 10 N -2.04 0.01 0.23 0.00 2.02 -1.26 -5.03 118.70 112.63 1brc s GLU 10 Ca 0.54 0.13 0.05 0.00 0.02 0.00 0.00 54.97 55.71 1brc s GLU 10 Cb -0.48 -0.22 0.21 0.00 0.10 0.00 0.00 34.13 33.74 1brc s GLU 10 CO 0.63 -0.12 1.53 1.15 0.02 0.00 0.00 175.26 178.47 1brc h THR 11 N 6.03 1.42 0.00 3.63 2.02 -1.96 -3.43 112.91 120.61 1brc h THR 11 Ca -0.41 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 64.63 1brc h THR 11 Cb 1.14 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 1brc h THR 11 CO 0.49 0.63 0.00 0.61 0.37 0.00 0.00 175.52 177.61 1brc n GLY 12 N 0.39 -0.86 0.01 2.16 0.00 -1.26 -0.67 105.19 104.96 1brc n GLY 12 Ca -0.02 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.44 1brc n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1brc n PRO 13 N -0.78 0.04 -2.20 1.61 -0.04 -1.26 -4.79 135.00 127.58 1brc n PRO 13 Ca 0.00 -0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.12 1brc n PRO 13 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 1brc n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1brc n ARG 15 N -1.93 2.73 -2.13 0.00 1.74 -1.24 -4.27 116.66 111.57 1brc n ARG 15 Ca 0.07 -3.56 -0.26 0.00 -0.77 0.00 0.00 57.85 53.32 1brc n ARG 15 Cb 0.54 -2.14 0.07 0.00 -1.02 0.00 0.00 32.46 29.92 1brc n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1brc s ALA 16 N -3.55 3.04 -0.59 7.54 0.00 -0.89 -5.05 121.76 122.26 1brc s ALA 16 Ca 0.53 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1brc s ALA 16 Cb 0.44 -2.68 0.15 0.00 0.00 0.00 0.00 23.12 21.04 1brc s ALA 16 CO 0.02 -1.40 0.38 1.41 0.00 0.00 0.00 175.76 176.17 1brc s MET 17 N -5.33 2.00 -0.23 0.00 1.75 -1.26 -4.09 119.30 112.15 1brc s MET 17 Ca 0.61 -2.84 -0.06 0.00 -1.25 0.00 0.00 55.69 52.14 1brc s MET 17 Cb -0.11 -3.02 -0.02 0.00 2.84 0.00 0.00 34.83 34.52 1brc s MET 17 CO 0.46 -1.24 0.03 0.42 -0.65 0.00 0.00 175.02 174.04 1brc s ILE 18 N -0.75 4.06 0.07 10.11 1.01 -0.48 -4.95 121.20 130.27 1brc s ILE 18 Ca 0.23 -0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.31 1brc s ILE 18 Cb -0.12 -2.87 -0.06 0.00 0.01 0.00 0.00 42.46 39.42 1brc s ILE 18 CO -0.10 0.38 1.21 -0.94 0.00 0.00 0.00 174.94 175.48 1brc s SER 19 N 1.37 7.07 0.29 3.58 1.04 -1.26 -0.72 113.70 125.06 1brc s SER 19 Ca 0.05 2.03 0.02 0.00 0.48 0.00 0.00 55.95 58.53 1brc s SER 19 Cb -0.15 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 1brc s SER 19 CO 0.02 -0.47 0.14 -0.13 0.98 0.00 0.00 173.24 173.77 1brc s ARG 20 N 1.02 1.52 0.03 4.02 1.81 0.14 -4.92 118.95 122.58 1brc s ARG 20 Ca 0.59 -1.86 0.08 0.00 -1.72 0.00 0.00 55.73 52.82 1brc s ARG 20 Cb -0.30 -0.15 -0.02 0.00 -0.45 0.00 0.00 34.95 34.03 1brc s ARG 20 CO 0.29 -0.40 -0.23 -1.58 -0.68 0.00 0.00 175.30 172.70 1brc s TRP 21 N -3.67 2.06 0.12 -0.53 0.52 0.16 -0.27 118.94 117.33 1brc s TRP 21 Ca 0.36 -0.39 0.05 0.00 0.02 0.00 0.00 56.10 56.14 1brc s TRP 21 Cb 0.06 -1.25 -0.04 0.00 -1.15 0.00 0.00 33.47 31.09 1brc s TRP 21 CO 0.16 0.08 -0.12 1.52 0.02 0.00 0.00 176.95 178.61 1brc s TYR 22 N -0.74 1.27 -0.00 -1.98 1.13 -0.36 -0.54 117.35 116.13 1brc s TYR 22 Ca 0.09 -0.63 -0.24 0.00 -1.41 0.00 0.00 57.07 54.89 1brc s TYR 22 Cb -0.09 -0.67 -0.05 0.00 -1.10 0.00 0.00 41.96 40.05 1brc s TYR 22 CO 0.01 0.09 0.72 0.12 -2.51 0.00 0.00 175.55 173.99 1brc s PHE 23 N -2.51 3.67 -0.33 -3.49 5.36 -1.26 -0.63 117.98 118.79 1brc s PHE 23 Ca 0.10 1.36 -0.13 0.00 -0.96 0.00 0.00 56.93 57.30 1brc s PHE 23 Cb -0.03 -2.79 -0.02 0.00 -0.34 0.00 0.00 43.02 39.85 1brc s PHE 23 CO 0.02 0.22 0.25 0.34 -1.46 0.00 0.00 175.22 174.58 1brc s ASP 24 N 0.23 6.07 0.41 6.13 -1.08 -0.64 -4.84 116.67 122.96 1brc s ASP 24 Ca 0.37 -0.35 0.19 0.00 -0.52 0.00 0.00 52.55 52.24 1brc s ASP 24 Cb -0.19 -2.14 0.90 0.00 -1.46 0.00 0.00 42.92 40.03 1brc s ASP 24 CO 0.20 -0.22 1.86 -0.37 0.52 0.00 0.00 175.17 177.16 1brc h VAL 25 N 5.48 0.93 0.04 1.11 -1.51 -1.87 -1.02 116.25 119.40 1brc h VAL 25 Ca -0.32 -1.16 -0.13 0.00 -1.23 0.00 0.00 66.70 63.87 1brc h VAL 25 Cb 1.16 1.68 0.01 0.00 -2.13 0.00 0.00 31.29 32.01 1brc h VAL 25 CO 0.63 0.30 -0.52 0.71 -1.23 0.00 0.00 177.57 177.46 1brc h THR 26 N 0.00 1.51 -0.00 7.19 1.35 -1.96 -3.29 112.91 117.71 1brc h THR 26 Ca -0.00 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 1brc h THR 26 Cb 0.66 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1brc h THR 26 CO 0.04 0.62 -0.03 -0.62 -0.25 0.00 0.00 175.52 175.27 1brc n GLU 27 N -4.30 0.92 -2.63 4.72 4.71 -1.23 -4.95 120.64 117.89 1brc n GLU 27 Ca -0.11 -0.21 -0.20 0.00 -0.01 0.00 0.00 57.16 56.63 1brc n GLU 27 Cb 0.65 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 1brc n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1brc n GLY 28 N 1.15 -0.51 3.40 0.62 0.00 -0.42 -4.97 105.19 104.47 1brc n GLY 28 Ca 0.19 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 1brc n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1brc s LYS 29 N -5.28 0.73 0.13 1.61 0.00 -1.04 -4.97 119.74 110.93 1brc s LYS 29 Ca 0.10 0.39 -0.31 0.00 0.00 0.00 0.00 55.97 56.15 1brc s LYS 29 Cb -0.05 0.35 -0.09 0.00 0.00 0.00 0.00 37.83 38.04 1brc s LYS 29 CO 0.13 -0.16 1.52 0.00 0.00 0.00 0.00 175.35 176.84 1brc s ALA 31 N 1.37 2.35 0.41 0.00 0.00 0.20 -4.90 121.76 121.18 1brc s ALA 31 Ca 0.69 -1.60 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 1brc s ALA 31 Cb -0.41 -0.26 -0.08 0.00 0.00 0.00 0.00 23.12 22.36 1brc s ALA 31 CO 0.31 0.34 0.84 -1.25 0.00 0.00 0.00 175.76 176.00 1brc s PRO 32 N -2.80 3.96 0.28 0.00 0.04 -1.26 -1.22 135.00 133.99 1brc s PRO 32 Ca 0.20 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 61.85 1brc s PRO 32 Cb -0.07 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.17 1brc s PRO 32 CO 0.09 -0.04 0.56 -0.59 0.04 0.00 0.00 177.00 177.07 1brc s PHE 33 N -2.29 0.29 -0.20 0.56 -0.71 0.63 -4.91 117.98 111.34 1brc s PHE 33 Ca 0.56 -0.69 -0.04 0.00 -1.04 0.00 0.00 56.93 55.71 1brc s PHE 33 Cb -0.10 0.34 -0.02 0.00 -1.21 0.00 0.00 43.02 42.04 1brc s PHE 33 CO 0.24 -1.12 -0.02 -0.06 -1.34 0.00 0.00 175.22 172.92 1brc s PHE 34 N -3.72 2.99 -0.14 3.49 0.08 -1.26 -0.68 117.98 118.74 1brc s PHE 34 Ca 0.20 -0.64 -0.07 0.00 0.12 0.00 0.00 56.93 56.55 1brc s PHE 34 Cb -0.02 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 1brc s PHE 34 CO 0.10 -0.35 0.10 -0.47 -0.10 0.00 0.00 175.22 174.50 1brc s TYR 35 N 1.13 3.43 -1.18 0.36 5.04 0.10 -4.40 117.35 121.82 1brc s TYR 35 Ca 0.02 0.36 0.29 0.00 -2.44 0.00 0.00 57.07 55.30 1brc s TYR 35 Cb -0.15 -1.97 1.17 0.00 0.35 0.00 0.00 41.96 41.37 1brc s TYR 35 CO 0.00 0.52 1.86 0.41 -1.34 0.00 0.00 175.55 177.01 1brc n GLY 36 N 2.51 -1.33 0.00 8.97 0.00 0.15 -1.38 105.19 114.11 1brc n GLY 36 Ca -0.19 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1brc n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brc n GLY 37 N 1.42 0.48 3.35 -0.02 0.00 -1.26 -2.10 105.19 107.07 1brc n GLY 37 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 1brc n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brc n GLY 39 N -0.22 1.75 7.00 0.00 0.00 -1.26 -4.21 105.19 108.26 1brc n GLY 39 Ca -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1brc n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brc n GLY 40 N 0.00 0.33 0.00 -0.02 0.00 -1.26 -4.88 105.19 99.35 1brc n GLY 40 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1brc n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1brc n ASN 41 N 2.04 0.00 0.24 1.61 0.23 -1.26 -5.01 115.26 113.11 1brc n ASN 41 Ca 0.00 -0.83 0.14 0.00 -0.53 0.00 0.00 54.58 53.36 1brc n ASN 41 Cb 0.00 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.04 1brc n ASN 41 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1brc h ARG 42 N 0.00 0.00 -4.60 -3.83 -0.00 -1.95 -3.36 114.38 100.64 1brc h ARG 42 Ca 0.00 0.00 -0.71 0.00 -0.00 0.00 0.00 59.98 59.27 1brc h ARG 42 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.97 29.88 1brc h ARG 42 CO 0.00 0.00 2.38 -1.71 -0.00 0.00 0.00 179.97 180.64 1brc n ASN 43 N -3.10 4.63 -3.20 0.08 5.15 -1.25 -4.65 115.26 112.92 1brc n ASN 43 Ca 0.03 -2.94 0.00 0.00 -0.60 0.00 0.00 54.58 51.07 1brc n ASN 43 Cb 0.46 -1.64 -0.02 0.00 -0.53 0.00 0.00 39.78 38.05 1brc n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1brc s ASN 44 N 3.04 -1.19 0.09 1.20 3.84 -1.26 -4.54 114.94 116.12 1brc s ASN 44 Ca 0.47 -0.30 0.10 0.00 0.21 0.00 0.00 52.86 53.34 1brc s ASN 44 Cb 0.08 1.81 -0.03 0.00 -0.55 0.00 0.00 41.25 42.55 1brc s ASN 44 CO -0.01 -0.26 -0.26 -0.36 -2.79 0.00 0.00 177.10 173.42 1brc s PHE 45 N 2.39 2.33 -0.04 0.43 0.08 0.30 -4.96 117.98 118.51 1brc s PHE 45 Ca 0.12 -0.39 0.28 0.00 0.12 0.00 0.00 56.93 57.06 1brc s PHE 45 Cb -0.09 -1.32 0.93 0.00 -0.57 0.00 0.00 43.02 41.97 1brc s PHE 45 CO -0.19 0.24 1.82 0.38 -0.10 0.00 0.00 175.22 177.37 1brc h ASP 46 N 4.32 0.00 -5.33 1.36 3.04 -1.93 0.50 116.42 118.38 1brc h ASP 46 Ca -0.49 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.16 1brc h ASP 46 Cb 1.16 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.30 1brc h ASP 46 CO 0.41 0.08 -0.58 0.42 -2.04 0.00 0.00 179.24 177.54 1brc s THR 47 N -3.51 0.13 0.04 1.15 -4.23 -1.26 -4.77 115.64 103.19 1brc s THR 47 Ca 0.03 -1.73 -0.24 0.00 -1.18 0.00 0.00 61.69 58.57 1brc s THR 47 Cb 0.08 -1.82 -0.16 0.00 1.34 0.00 0.00 72.50 71.94 1brc s THR 47 CO 0.61 -0.59 1.49 -0.08 -0.54 0.00 0.00 174.62 175.51 1brc h GLU 48 N 2.87 0.07 -0.35 3.99 4.81 -1.97 -1.84 114.58 122.18 1brc h GLU 48 Ca -0.34 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.94 1brc h GLU 48 Cb 1.19 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 1brc h GLU 48 CO 0.59 0.32 -0.10 0.93 -0.73 0.00 0.00 179.01 180.02 1brc h GLU 49 N -0.18 -0.02 -0.40 1.92 4.39 -1.99 0.49 114.58 118.80 1brc h GLU 49 Ca 0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1brc h GLU 49 Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1brc h GLU 49 CO 0.00 -0.01 -0.16 -0.92 -1.16 0.00 0.00 179.01 176.76 1brc h TYR 50 N -0.02 0.82 0.74 4.33 3.20 -1.97 0.08 116.97 124.16 1brc h TYR 50 Ca 0.17 -0.16 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1brc h TYR 50 Cb 0.27 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.34 1brc h TYR 50 CO -0.33 0.85 -0.36 0.00 -1.64 0.00 0.00 178.16 176.69 1brc h MET 52 N -1.07 0.43 0.00 0.00 2.86 -0.87 0.56 114.93 116.84 1brc h MET 52 Ca -0.10 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1brc h MET 52 Cb 0.78 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1brc h MET 52 CO 0.17 0.29 -0.25 0.00 1.06 0.00 0.00 176.91 178.17 1brc h ALA 53 N 1.73 1.32 0.04 6.32 0.00 -0.76 0.14 119.26 128.05 1brc h ALA 53 Ca 0.21 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1brc h ALA 53 Cb 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1brc h ALA 53 CO -0.05 0.31 -1.55 0.28 0.00 0.00 0.00 179.25 178.24 1brc n VAL 54 N -3.85 1.62 -0.04 0.00 0.31 -0.29 -4.71 118.33 111.37 1brc n VAL 54 Ca -0.02 -0.25 0.01 0.00 -0.01 0.00 0.00 64.34 64.07 1brc n VAL 54 Cb 0.34 -1.93 -0.12 0.00 -0.91 0.00 0.00 33.84 31.22 1brc n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51