#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 5.02 -0.04 5.15 1.01 -1.26 0.14 121.20 131.22 1gpt s ILE 2 Ca 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 1gpt s ILE 2 Cb 0.00 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1gpt s ILE 2 CO 0.00 0.35 0.41 0.00 0.00 0.00 0.00 174.94 175.69 1gpt s ARG 4 N -0.58 3.08 -0.05 0.00 3.00 -1.26 -2.30 118.95 120.83 1gpt s ARG 4 Ca 0.23 -0.82 0.04 0.00 0.00 0.00 0.00 55.73 55.18 1gpt s ARG 4 Cb -0.16 -3.03 -0.00 0.00 0.00 0.00 0.00 34.95 31.76 1gpt s ARG 4 CO 0.12 -0.32 -0.18 0.50 0.00 0.00 0.00 175.30 175.42 1gpt s ARG 5 N 1.41 1.97 0.15 3.54 3.00 0.08 -4.96 118.95 124.14 1gpt s ARG 5 Ca 0.03 -0.63 -0.31 0.00 -1.00 0.00 0.00 55.73 53.82 1gpt s ARG 5 Cb -0.16 -1.66 -0.11 0.00 0.00 0.00 0.00 34.95 33.03 1gpt s ARG 5 CO -0.03 0.21 1.81 2.89 0.00 0.00 0.00 175.30 180.18 1gpt n ARG 6 N 3.29 2.83 -1.75 5.12 0.00 -1.26 0.29 116.66 125.17 1gpt n ARG 6 Ca -0.19 1.03 -0.33 0.00 -0.00 0.00 0.00 57.85 58.35 1gpt n ARG 6 Cb 0.53 -2.91 -0.04 0.00 -0.00 0.00 0.00 32.46 30.04 1gpt n ARG 6 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1gpt s SER 7 N 2.28 4.69 -0.28 2.89 0.15 -0.14 -4.80 113.70 118.48 1gpt s SER 7 Ca 0.80 0.59 -0.29 0.00 0.70 0.00 0.00 55.95 57.74 1gpt s SER 7 Cb -0.48 -2.52 -0.00 0.00 -1.71 0.00 0.00 66.02 61.31 1gpt s SER 7 CO 0.35 -2.83 1.33 0.00 1.20 0.00 0.00 173.24 173.29 1gpt s ALA 8 N 11.37 3.38 0.00 5.45 0.00 -1.26 -3.01 121.76 137.69 1gpt s ALA 8 Ca 0.85 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1gpt s ALA 8 Cb -0.14 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1gpt s ALA 8 CO 0.20 -1.74 0.00 0.41 0.00 0.00 0.00 175.76 174.63 1gpt n GLY 9 N 4.29 0.57 3.73 0.00 0.00 -1.26 -4.92 105.19 107.61 1gpt n GLY 9 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 3.52 -1.11 1.61 5.36 -1.16 -4.95 117.98 119.24 1gpt s PHE 10 Ca 0.00 1.49 -0.20 0.00 -0.96 0.00 0.00 56.93 57.26 1gpt s PHE 10 Cb 0.00 -3.34 0.08 0.00 -0.34 0.00 0.00 43.02 39.42 1gpt s PHE 10 CO 0.00 -0.88 1.49 0.15 -1.46 0.00 0.00 175.22 174.52 1gpt s LYS 11 N 0.03 3.76 6.83 10.12 1.02 -1.26 -4.89 119.74 135.35 1gpt s LYS 11 Ca 0.52 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1gpt s LYS 11 Cb -0.30 -5.32 0.00 0.00 -0.52 0.00 0.00 37.83 31.69 1gpt s LYS 11 CO 0.34 -2.12 0.00 0.41 -0.92 0.00 0.00 175.35 173.06 1gpt n GLY 12 N 5.99 1.62 3.83 -3.33 0.00 -1.26 -4.80 105.19 107.24 1gpt n GLY 12 Ca 0.37 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 4.17 -1.30 1.61 0.04 -1.26 -4.66 135.00 133.61 1gpt s PRO 13 Ca 0.00 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 61.89 1gpt s PRO 13 Cb 0.00 -2.27 0.11 0.00 0.04 0.00 0.00 34.50 32.38 1gpt s PRO 13 CO 0.00 0.03 1.77 0.00 0.04 0.00 0.00 177.00 178.84 1gpt h VAL 15 N 4.69 1.42 -3.22 0.00 2.07 -1.94 -3.43 116.25 115.84 1gpt h VAL 15 Ca 0.43 -2.51 -0.73 0.00 0.82 0.00 0.00 66.70 64.71 1gpt h VAL 15 Cb 0.78 3.10 -0.21 0.00 -1.52 0.00 0.00 31.29 33.44 1gpt h VAL 15 CO 1.51 0.71 -0.18 -0.55 0.02 0.00 0.00 177.57 179.08 1gpt s SER 16 N -6.98 6.18 0.26 0.57 0.15 -1.26 -4.94 113.70 107.67 1gpt s SER 16 Ca -0.15 -1.31 -0.02 0.00 0.70 0.00 0.00 55.95 55.17 1gpt s SER 16 Cb 0.02 -2.22 0.46 0.00 -1.71 0.00 0.00 66.02 62.56 1gpt s SER 16 CO 0.81 -0.78 1.82 0.78 1.20 0.00 0.00 173.24 177.08 1gpt h ASN 17 N 8.87 0.80 -0.55 5.45 4.21 -1.97 -2.88 115.58 129.51 1gpt h ASN 17 Ca -0.29 0.05 0.05 0.00 1.21 0.00 0.00 56.30 57.32 1gpt h ASN 17 Cb 1.10 -0.11 -0.05 0.00 -1.12 0.00 0.00 38.32 38.14 1gpt h ASN 17 CO 0.95 0.44 0.29 0.50 -1.29 0.00 0.00 177.43 178.32 1gpt h LYS 18 N 0.90 0.53 0.00 0.81 3.64 -1.98 -1.72 116.57 118.75 1gpt h LYS 18 Ca 0.44 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 1gpt h LYS 18 Cb 0.41 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1gpt h LYS 18 CO -0.25 0.35 -0.33 -0.91 -2.27 0.00 0.00 179.45 176.05 1gpt h ASN 19 N 0.55 0.00 -0.29 4.20 4.21 -1.95 -1.61 115.58 120.69 1gpt h ASN 19 Ca 0.24 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.58 1gpt h ASN 19 Cb 0.15 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.35 1gpt h ASN 19 CO -0.17 0.33 -0.47 0.00 -1.29 0.00 0.00 177.43 175.83 1gpt h ALA 21 N 0.77 0.86 0.49 0.00 0.00 -0.66 -1.05 119.26 119.67 1gpt h ALA 21 Ca 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1gpt h ALA 21 Cb 1.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1gpt h ALA 21 CO 0.11 0.10 -0.23 0.37 0.00 0.00 0.00 179.25 179.60 1gpt h GLN 22 N 0.73 -0.63 -0.93 0.00 4.15 -1.27 -1.07 115.11 116.09 1gpt h GLN 22 Ca 0.28 0.04 0.18 0.00 0.77 0.00 0.00 58.65 59.92 1gpt h GLN 22 Cb 0.10 0.14 -0.08 0.00 0.21 0.00 0.00 27.48 27.85 1gpt h GLN 22 CO -0.14 -0.37 0.60 0.28 -1.93 0.00 0.00 178.83 177.27 1gpt h VAL 23 N -0.77 0.74 -0.11 2.39 2.07 -0.80 0.38 116.25 120.15 1gpt h VAL 23 Ca -0.07 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1gpt h VAL 23 Cb 0.56 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1gpt h VAL 23 CO 0.11 0.11 -0.00 0.00 0.02 0.00 0.00 177.57 177.81 1gpt h MET 25 N -0.08 1.24 -0.82 0.00 2.86 -0.33 0.11 114.93 117.90 1gpt h MET 25 Ca 0.03 -0.14 0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1gpt h MET 25 Cb 0.37 -0.24 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 1gpt h MET 25 CO 0.01 0.90 0.47 0.37 1.06 0.00 0.00 176.91 179.71 1gpt h GLN 26 N 1.24 0.75 0.00 1.72 4.15 -0.13 -0.97 115.11 121.87 1gpt h GLN 26 Ca 0.31 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.69 1gpt h GLN 26 Cb 0.02 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.54 1gpt h GLN 26 CO -0.05 0.50 0.00 0.93 -1.93 0.00 0.00 178.83 178.28 1gpt h GLU 27 N 0.78 0.00 0.00 1.69 5.08 -0.13 -3.47 114.58 118.53 1gpt h GLU 27 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1gpt h GLU 27 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1gpt h GLU 27 CO -0.25 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.17 1gpt n GLY 28 N 0.49 1.27 3.49 -3.84 0.00 -0.37 -5.08 105.19 101.15 1gpt n GLY 28 Ca 0.02 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 2.65 0.03 1.61 0.52 0.28 -4.97 118.94 117.06 1gpt s TRP 29 Ca 0.00 -0.20 -0.14 0.00 0.02 0.00 0.00 56.10 55.78 1gpt s TRP 29 Cb 0.00 -1.52 -0.06 0.00 -1.15 0.00 0.00 33.47 30.73 1gpt s TRP 29 CO 0.00 0.26 1.21 0.78 0.02 0.00 0.00 176.95 179.22 1gpt h GLY 30 N 4.69 -0.99 -1.88 0.98 0.00 -1.68 -2.54 103.07 101.65 1gpt h GLY 30 Ca -0.47 0.45 -0.45 0.00 0.00 0.00 0.00 47.33 46.86 1gpt h GLY 30 CO 0.49 -0.33 -0.56 -0.32 0.00 0.00 0.00 176.54 175.82 1gpt s GLY 31 N -1.44 2.15 0.07 4.60 0.00 -0.13 -4.67 107.32 107.91 1gpt s GLY 31 Ca -0.07 -1.70 0.07 0.00 0.00 0.00 0.00 44.72 43.02 1gpt s GLY 31 CO 0.23 -1.68 -0.18 -0.32 0.00 0.00 0.00 173.10 171.16 1gpt s GLY 32 N -3.44 1.04 -0.03 0.20 0.00 -1.26 -0.17 107.32 103.66 1gpt s GLY 32 Ca 0.33 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.99 1gpt s GLY 32 CO 0.16 -1.07 -0.04 -1.31 0.00 0.00 0.00 173.10 170.84 1gpt s ASN 33 N -1.61 0.81 -0.23 1.64 0.02 0.15 -4.63 114.94 111.09 1gpt s ASN 33 Ca 0.03 -0.11 -0.10 0.00 -1.02 0.00 0.00 52.86 51.66 1gpt s ASN 33 Cb -0.09 -0.35 -0.05 0.00 0.02 0.00 0.00 41.25 40.78 1gpt s ASN 33 CO 0.03 -0.04 0.15 0.00 0.02 0.00 0.00 177.10 177.26 1gpt s ASP 35 N 0.97 4.60 1.92 0.00 1.47 -0.21 -4.71 116.67 120.72 1gpt s ASP 35 Ca 0.07 -0.23 0.00 0.00 1.18 0.00 0.00 52.55 53.57 1gpt s ASP 35 Cb -0.13 -1.01 0.00 0.00 -0.34 0.00 0.00 42.92 41.44 1gpt s ASP 35 CO 0.04 0.23 0.00 0.61 0.68 0.00 0.00 175.17 176.73 1gpt n GLY 36 N 1.11 2.74 0.42 2.12 0.00 -1.26 -1.03 105.19 109.29 1gpt n GLY 36 Ca -0.14 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 6.67 1.07 0.00 1.61 -0.04 -1.26 -4.86 135.00 138.20 1gpt n PRO 37 Ca 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1gpt n PRO 37 Cb 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 -0.09 0.00 0.00 1.53 4.77 -0.19 -4.78 117.00 118.23 1gpt n LEU 38 Ca 0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1gpt n LEU 38 Cb 0.21 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.42 1gpt n LEU 38 CO 0.01 0.00 0.33 0.54 -1.33 0.00 0.00 177.39 176.93 1gpt n ARG 39 N -0.55 0.16 -3.96 3.23 5.12 -1.26 -2.80 116.66 116.60 1gpt n ARG 39 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 1gpt n ARG 39 Cb 0.00 -1.40 -0.14 0.00 -1.16 0.00 0.00 32.46 29.76 1gpt n ARG 39 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1gpt s ARG 40 N -2.00 0.15 0.08 5.56 6.06 -1.26 -4.08 118.95 123.47 1gpt s ARG 40 Ca 0.06 -0.12 0.07 0.00 -2.50 0.00 0.00 55.73 53.24 1gpt s ARG 40 Cb 0.03 -0.10 -0.04 0.00 0.06 0.00 0.00 34.95 34.90 1gpt s ARG 40 CO 0.05 0.03 -0.11 0.00 -2.50 0.00 0.00 175.30 172.76 1gpt s LYS 42 N -2.01 1.82 0.03 0.00 1.02 0.13 -0.96 119.74 119.77 1gpt s LYS 42 Ca 0.20 -1.57 0.09 0.00 0.02 0.00 0.00 55.97 54.71 1gpt s LYS 42 Cb -0.11 -1.92 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1gpt s LYS 42 CO 0.12 0.37 -0.26 0.00 -0.92 0.00 0.00 175.35 174.66 1gpt s MET 44 N -1.08 1.23 0.25 0.00 0.23 0.76 -0.74 119.30 119.95 1gpt s MET 44 Ca 0.11 -0.23 -0.04 0.00 -1.03 0.00 0.00 55.69 54.51 1gpt s MET 44 Cb -0.10 -1.16 -0.02 0.00 -1.53 0.00 0.00 34.83 32.02 1gpt s MET 44 CO 0.01 -0.08 0.30 -0.98 -2.03 0.00 0.00 175.02 172.24 1gpt s ARG 45 N 1.00 1.47 0.30 3.16 1.70 -0.97 -0.96 118.95 124.65 1gpt s ARG 45 Ca -0.09 -1.59 -0.29 0.00 -0.47 0.00 0.00 55.73 53.29 1gpt s ARG 45 Cb -0.14 0.36 -0.10 0.00 -0.57 0.00 0.00 34.95 34.50 1gpt s ARG 45 CO -0.00 -0.55 1.25 1.03 -1.08 0.00 0.00 175.30 175.95 1gpt s ARG 46 N -3.87 4.43 0.00 3.89 0.52 -1.26 -0.40 118.95 122.26 1gpt s ARG 46 Ca 0.33 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.63 1gpt s ARG 46 Cb 0.03 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.39 1gpt s ARG 46 CO 0.14 -0.09 0.05 0.00 0.02 0.00 0.00 175.30 175.42