#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpt s ILE 2 N 0.00 2.70 0.01 5.15 1.01 -1.26 0.10 121.20 128.91 1gpt s ILE 2 Ca 0.00 -1.41 -0.30 0.00 0.00 0.00 0.00 60.65 58.93 1gpt s ILE 2 Cb 0.00 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1gpt s ILE 2 CO 0.00 -0.04 1.06 0.00 0.00 0.00 0.00 174.94 175.97 1gpt s ARG 4 N 1.15 2.86 -0.05 0.00 3.00 -1.26 -2.53 118.95 122.12 1gpt s ARG 4 Ca 0.54 -1.06 0.05 0.00 0.00 0.00 0.00 55.73 55.26 1gpt s ARG 4 Cb -0.24 -3.73 -0.01 0.00 0.00 0.00 0.00 34.95 30.98 1gpt s ARG 4 CO 0.27 -0.68 -0.20 1.03 0.00 0.00 0.00 175.30 175.72 1gpt s ARG 5 N 1.56 2.06 0.12 3.54 1.81 -0.43 -4.93 118.95 122.68 1gpt s ARG 5 Ca 0.02 -0.71 -0.31 0.00 -1.72 0.00 0.00 55.73 53.02 1gpt s ARG 5 Cb -0.19 -1.76 -0.10 0.00 -0.45 0.00 0.00 34.95 32.45 1gpt s ARG 5 CO 0.07 0.28 1.75 -0.98 -0.68 0.00 0.00 175.30 175.74 1gpt s ARG 6 N -0.00 4.16 -0.49 3.54 3.03 -1.26 0.29 118.95 128.22 1gpt s ARG 6 Ca -0.04 2.50 -0.27 0.00 2.03 0.00 0.00 55.73 59.95 1gpt s ARG 6 Cb -0.12 -3.52 -0.04 0.00 -1.03 0.00 0.00 34.95 30.24 1gpt s ARG 6 CO 0.03 -0.79 2.03 0.45 -1.13 0.00 0.00 175.30 175.90 1gpt s SER 7 N 2.38 5.18 -0.12 -2.89 0.15 0.21 -4.86 113.70 113.75 1gpt s SER 7 Ca 0.77 0.87 -0.29 0.00 0.70 0.00 0.00 55.95 58.01 1gpt s SER 7 Cb -0.44 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.31 1gpt s SER 7 CO 0.34 -2.35 1.63 0.00 1.20 0.00 0.00 173.24 174.07 1gpt s ALA 8 N 9.46 3.48 0.00 5.45 0.00 -1.26 -2.86 121.76 136.03 1gpt s ALA 8 Ca 0.81 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1gpt s ALA 8 Cb -0.18 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1gpt s ALA 8 CO 0.26 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 174.83 1gpt n GLY 9 N 4.32 0.61 3.68 0.00 0.00 -1.26 -4.96 105.19 107.58 1gpt n GLY 9 Ca 0.18 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1gpt n GLY 9 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gpt s PHE 10 N -2.00 2.75 -0.33 1.61 5.36 -1.14 -5.01 117.98 119.22 1gpt s PHE 10 Ca 0.00 0.75 -0.06 0.00 -0.96 0.00 0.00 56.93 56.66 1gpt s PHE 10 Cb 0.00 -3.69 0.04 0.00 -0.34 0.00 0.00 43.02 39.03 1gpt s PHE 10 CO 0.00 -2.58 0.10 0.15 -1.46 0.00 0.00 175.22 171.43 1gpt s LYS 11 N 2.65 2.66 0.00 10.12 -0.14 -1.26 -5.01 119.74 128.76 1gpt s LYS 11 Ca 0.64 -1.15 0.00 0.00 -1.36 0.00 0.00 55.97 54.10 1gpt s LYS 11 Cb -0.31 -3.45 0.00 0.00 -1.68 0.00 0.00 37.83 32.39 1gpt s LYS 11 CO 0.26 -0.64 0.00 0.41 -0.76 0.00 0.00 175.35 174.62 1gpt n GLY 12 N 4.82 -0.66 3.88 -3.33 0.00 -1.26 -4.98 105.19 103.66 1gpt n GLY 12 Ca -0.13 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 1gpt n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gpt s PRO 13 N 0.00 3.62 -1.02 1.61 0.04 -1.26 -5.02 135.00 132.97 1gpt s PRO 13 Ca 0.00 -0.01 -0.23 0.00 0.04 0.00 0.00 61.00 60.80 1gpt s PRO 13 Cb 0.00 -3.09 0.04 0.00 0.04 0.00 0.00 34.50 31.49 1gpt s PRO 13 CO 0.00 0.65 1.52 0.00 0.04 0.00 0.00 177.00 179.21 1gpt n VAL 15 N 6.97 1.40 -4.08 0.00 0.24 -1.26 -3.13 118.33 118.48 1gpt n VAL 15 Ca 0.35 -0.81 -0.16 0.00 -2.04 0.00 0.00 64.34 61.67 1gpt n VAL 15 Cb 0.50 -0.68 -0.15 0.00 -1.47 0.00 0.00 33.84 32.04 1gpt n VAL 15 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1gpt s SER 16 N -5.70 0.55 0.50 -1.34 0.15 -1.26 -5.02 113.70 101.58 1gpt s SER 16 Ca -0.07 -0.07 0.25 0.00 0.70 0.00 0.00 55.95 56.76 1gpt s SER 16 Cb 0.07 -0.16 1.34 0.00 -1.71 0.00 0.00 66.02 65.57 1gpt s SER 16 CO 0.83 -0.00 1.92 0.78 1.20 0.00 0.00 173.24 177.97 1gpt h ASN 17 N 6.51 0.11 -0.40 5.45 4.21 -1.93 -1.97 115.58 127.57 1gpt h ASN 17 Ca -0.33 0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.13 1gpt h ASN 17 Cb 1.17 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.35 1gpt h ASN 17 CO 0.49 0.05 0.03 0.50 -1.29 0.00 0.00 177.43 177.21 1gpt h LYS 18 N 0.11 0.68 -0.51 0.81 3.64 -1.96 0.18 116.57 119.52 1gpt h LYS 18 Ca 0.37 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1gpt h LYS 18 Cb 1.29 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1gpt h LYS 18 CO -0.04 0.75 0.07 -2.95 -2.27 0.00 0.00 179.45 175.01 1gpt h ASN 19 N 0.52 0.83 -0.61 4.20 -1.07 -1.75 -2.14 115.58 115.56 1gpt h ASN 19 Ca 0.12 -0.27 -0.06 0.00 0.07 0.00 0.00 56.30 56.16 1gpt h ASN 19 Cb 0.42 -0.22 -0.03 0.00 -2.07 0.00 0.00 38.32 36.43 1gpt h ASN 19 CO 0.01 0.89 0.16 0.00 0.07 0.00 0.00 177.43 178.56 1gpt h ALA 21 N 1.05 1.38 0.34 0.00 0.00 -0.13 -1.13 119.26 120.76 1gpt h ALA 21 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1gpt h ALA 21 Cb 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gpt h ALA 21 CO 0.00 0.53 -0.17 0.37 0.00 0.00 0.00 179.25 179.98 1gpt h GLN 22 N 1.21 -0.45 -0.91 0.00 4.15 -1.38 -0.42 115.11 117.32 1gpt h GLN 22 Ca 0.38 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.89 1gpt h GLN 22 Cb 0.00 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.73 1gpt h GLN 22 CO -0.11 -0.30 0.58 0.28 -1.93 0.00 0.00 178.83 177.34 1gpt h VAL 23 N -0.46 1.08 0.08 2.39 2.07 -1.51 0.31 116.25 120.20 1gpt h VAL 23 Ca -0.04 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1gpt h VAL 23 Cb 0.36 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1gpt h VAL 23 CO 0.07 0.19 -0.12 0.00 0.02 0.00 0.00 177.57 177.74 1gpt h MET 25 N -0.24 0.96 -0.48 0.00 2.07 -0.12 0.10 114.93 117.22 1gpt h MET 25 Ca 0.02 -0.08 0.14 0.00 -2.07 0.00 0.00 59.70 57.71 1gpt h MET 25 Cb 0.25 -0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 29.76 1gpt h MET 25 CO -0.06 0.67 0.36 0.37 1.07 0.00 0.00 176.91 179.33 1gpt h GLN 26 N 0.97 0.00 0.00 1.72 4.15 -0.17 -0.16 115.11 121.63 1gpt h GLN 26 Ca 0.26 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.59 1gpt h GLN 26 Cb -0.05 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1gpt h GLN 26 CO -0.05 0.00 -1.16 0.93 -1.93 0.00 0.00 178.83 176.62 1gpt h GLU 27 N 0.00 0.00 0.00 1.69 5.08 -0.16 -3.49 114.58 117.70 1gpt h GLU 27 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1gpt h GLU 27 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1gpt h GLU 27 CO -0.00 0.17 0.00 0.41 -1.00 0.00 0.00 179.01 178.58 1gpt n GLY 28 N 1.29 1.46 3.45 -3.84 0.00 -0.07 -5.09 105.19 102.38 1gpt n GLY 28 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1gpt n GLY 28 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gpt s TRP 29 N -2.00 2.71 0.10 1.61 0.52 0.27 -4.97 118.94 117.18 1gpt s TRP 29 Ca 0.00 -0.27 -0.31 0.00 0.02 0.00 0.00 56.10 55.54 1gpt s TRP 29 Cb 0.00 -1.67 -0.13 0.00 -1.15 0.00 0.00 33.47 30.53 1gpt s TRP 29 CO 0.00 0.10 1.50 0.78 0.02 0.00 0.00 176.95 179.35 1gpt h GLY 30 N 5.62 -1.16 -2.13 0.98 0.00 -1.70 -1.83 103.07 102.86 1gpt h GLY 30 Ca -0.42 0.65 -0.39 0.00 0.00 0.00 0.00 47.33 47.17 1gpt h GLY 30 CO 0.51 -0.27 -0.55 -0.32 0.00 0.00 0.00 176.54 175.91 1gpt s GLY 31 N -2.11 2.01 0.02 4.60 0.00 -0.16 -4.69 107.32 106.99 1gpt s GLY 31 Ca -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 44.72 42.71 1gpt s GLY 31 CO 0.55 -1.51 0.05 -0.32 0.00 0.00 0.00 173.10 171.86 1gpt s GLY 32 N -3.33 0.18 -0.00 0.20 0.00 -1.26 -0.01 107.32 103.10 1gpt s GLY 32 Ca 0.38 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.64 1gpt s GLY 32 CO 0.19 -0.57 -0.03 0.21 0.00 0.00 0.00 173.10 172.91 1gpt s ASN 33 N -1.62 0.33 -0.30 1.64 2.47 0.14 -3.98 114.94 113.62 1gpt s ASN 33 Ca -0.13 -0.07 -0.25 0.00 0.42 0.00 0.00 52.86 52.83 1gpt s ASN 33 Cb -0.07 -0.03 0.01 0.00 -1.45 0.00 0.00 41.25 39.71 1gpt s ASN 33 CO -0.01 0.02 0.88 0.00 -3.72 0.00 0.00 177.10 174.27 1gpt s ASP 35 N 1.60 3.49 1.81 0.00 1.11 0.85 -4.76 116.67 120.76 1gpt s ASP 35 Ca 0.37 -0.88 0.00 0.00 0.18 0.00 0.00 52.55 52.22 1gpt s ASP 35 Cb -0.14 -0.28 0.00 0.00 1.07 0.00 0.00 42.92 43.57 1gpt s ASP 35 CO 0.13 0.11 0.00 0.61 1.18 0.00 0.00 175.17 177.20 1gpt n GLY 36 N 0.15 2.76 1.20 0.21 0.00 -1.26 -2.33 105.19 105.91 1gpt n GLY 36 Ca -0.12 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1gpt n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gpt n PRO 37 N 7.20 1.02 0.00 1.61 -0.04 -1.26 -4.83 135.00 138.70 1gpt n PRO 37 Ca 0.00 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1gpt n PRO 37 Cb 0.00 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1gpt n PRO 37 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1gpt n LEU 38 N 0.84 0.00 -0.44 1.53 4.32 -0.99 -4.71 117.00 117.56 1gpt n LEU 38 Ca 0.01 0.00 0.37 0.00 -0.02 0.00 0.00 56.01 56.37 1gpt n LEU 38 Cb 0.51 0.00 0.69 0.00 -1.62 0.00 0.00 43.42 43.00 1gpt n LEU 38 CO 0.01 0.00 1.31 0.03 -1.22 0.00 0.00 177.39 177.52 1gpt h ARG 39 N 0.00 0.10 -5.99 3.23 -0.00 -1.65 -2.56 114.38 107.51 1gpt h ARG 39 Ca 0.00 -0.01 -0.60 0.00 -0.50 0.00 0.00 59.98 58.88 1gpt h ARG 39 Cb 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 29.97 29.85 1gpt h ARG 39 CO 0.00 0.06 0.53 0.50 0.00 0.00 0.00 179.97 181.07 1gpt s ARG 40 N -5.14 3.83 -0.51 0.04 3.52 -1.12 -1.67 118.95 117.92 1gpt s ARG 40 Ca -0.06 0.52 -0.28 0.00 -0.13 0.00 0.00 55.73 55.77 1gpt s ARG 40 Cb 0.26 -3.80 0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1gpt s ARG 40 CO 0.83 -0.90 1.13 0.00 -0.81 0.00 0.00 175.30 175.55 1gpt s LYS 42 N 4.53 3.72 0.65 0.00 2.47 -0.03 -0.62 119.74 130.47 1gpt s LYS 42 Ca 0.45 -0.45 -0.07 0.00 -1.56 0.00 0.00 55.97 54.34 1gpt s LYS 42 Cb -0.07 -3.28 0.03 0.00 -1.46 0.00 0.00 37.83 33.04 1gpt s LYS 42 CO 0.30 -0.07 0.98 0.00 0.16 0.00 0.00 175.35 176.71 1gpt s MET 44 N -5.15 0.47 0.17 0.00 0.23 0.98 -1.31 119.30 114.69 1gpt s MET 44 Ca 0.57 0.74 -0.15 0.00 -1.03 0.00 0.00 55.69 55.81 1gpt s MET 44 Cb -0.11 0.11 0.02 0.00 -1.53 0.00 0.00 34.83 33.33 1gpt s MET 44 CO 0.46 -0.11 0.44 -0.98 -2.03 0.00 0.00 175.02 172.79 1gpt s ARG 45 N 0.88 1.25 0.12 3.16 1.70 -1.05 -0.99 118.95 124.03 1gpt s ARG 45 Ca -0.05 -0.90 -0.35 0.00 -0.47 0.00 0.00 55.73 53.95 1gpt s ARG 45 Cb -0.06 0.47 -0.15 0.00 -0.57 0.00 0.00 34.95 34.64 1gpt s ARG 45 CO -0.07 -0.51 1.44 -2.13 -1.08 0.00 0.00 175.30 172.96 1gpt n ARG 46 N -0.28 1.59 0.00 3.89 3.00 -1.26 -1.26 116.66 122.34 1gpt n ARG 46 Ca -0.11 0.57 0.00 0.00 -0.00 0.00 0.00 57.85 58.32 1gpt n ARG 46 Cb 0.63 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.82 1gpt n ARG 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63