#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gps s ILE 2 N 0.00 4.72 -0.70 0.58 1.01 -1.26 -0.98 121.20 124.57 1gps s ILE 2 Ca 0.00 1.61 -0.17 0.00 0.00 0.00 0.00 60.65 62.09 1gps s ILE 2 Cb 0.00 -4.23 0.15 0.00 0.01 0.00 0.00 42.46 38.38 1gps s ILE 2 CO 0.00 -0.23 0.74 0.00 0.00 0.00 0.00 174.94 175.45 1gps s ARG 4 N 1.77 2.49 0.00 0.00 0.52 -1.26 -0.75 118.95 121.71 1gps s ARG 4 Ca 0.15 -2.36 0.00 0.00 -0.52 0.00 0.00 55.73 53.00 1gps s ARG 4 Cb -0.19 -3.74 0.00 0.00 0.52 0.00 0.00 34.95 31.55 1gps s ARG 4 CO -0.01 -1.16 0.00 -2.13 0.02 0.00 0.00 175.30 172.02 1gps n ARG 5 N 3.78 0.19 -3.49 3.54 3.00 -0.35 -5.00 116.66 118.32 1gps n ARG 5 Ca 0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.68 1gps n ARG 5 Cb 0.39 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.86 1gps n ARG 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1gps s ARG 6 N 1.70 2.34 0.00 -0.14 1.70 -1.26 -0.20 118.95 123.10 1gps s ARG 6 Ca 0.00 -1.78 0.01 0.00 -0.47 0.00 0.00 55.73 53.50 1gps s ARG 6 Cb 0.00 -2.37 0.09 0.00 -0.57 0.00 0.00 34.95 32.10 1gps s ARG 6 CO 0.00 -0.62 0.35 -1.13 -1.08 0.00 0.00 175.30 172.81 1gps n SER 7 N -1.91 0.00 0.00 -2.89 3.41 -0.86 -4.63 113.62 106.74 1gps n SER 7 Ca 0.06 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1gps n SER 7 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1gps n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gps n ALA 8 N -0.69 0.00 0.00 7.33 0.00 -1.26 -1.70 120.51 124.19 1gps n ALA 8 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 1gps n ALA 8 Cb 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1gps n ALA 8 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1gps h GLY 9 N 0.00 0.00 -7.33 0.00 0.00 -1.91 -3.45 103.07 90.38 1gps h GLY 9 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1gps h GLY 9 CO 0.00 0.00 1.15 -0.12 0.00 0.00 0.00 176.54 177.57 1gps s PHE 10 N -2.67 2.12 -0.33 5.60 5.36 -0.69 -4.95 117.98 122.42 1gps s PHE 10 Ca -0.03 0.29 -0.05 0.00 -0.96 0.00 0.00 56.93 56.18 1gps s PHE 10 Cb 0.08 -4.43 0.04 0.00 -0.34 0.00 0.00 43.02 38.37 1gps s PHE 10 CO 0.82 -2.12 0.07 0.15 -1.46 0.00 0.00 175.22 172.68 1gps s LYS 11 N 6.03 2.54 0.00 10.12 -0.14 -1.26 -4.63 119.74 132.40 1gps s LYS 11 Ca 0.47 -1.22 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 1gps s LYS 11 Cb -0.10 -3.35 0.00 0.00 -1.68 0.00 0.00 37.83 32.70 1gps s LYS 11 CO 0.19 -0.66 0.00 0.41 -0.76 0.00 0.00 175.35 174.53 1gps n GLY 12 N 4.74 0.97 3.63 -3.33 0.00 -1.26 -5.05 105.19 104.88 1gps n GLY 12 Ca -0.13 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 1gps n GLY 12 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gps s PRO 13 N -1.52 3.66 -1.22 1.61 0.02 -1.25 -4.67 135.00 131.63 1gps s PRO 13 Ca 0.00 2.13 -0.14 0.00 0.02 0.00 0.00 61.00 63.01 1gps s PRO 13 Cb 0.00 -4.21 0.17 0.00 0.02 0.00 0.00 34.50 30.48 1gps s PRO 13 CO 0.00 -1.49 1.46 0.00 -0.33 0.00 0.00 177.00 176.63 1gps n MET 15 N 5.78 0.17 -3.82 0.00 2.81 -1.25 -4.23 117.12 116.58 1gps n MET 15 Ca 0.38 0.29 -0.36 0.00 -1.81 0.00 0.00 57.70 56.19 1gps n MET 15 Cb 0.43 -1.76 -0.13 0.00 -0.71 0.00 0.00 33.22 31.05 1gps n MET 15 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1gps s SER 16 N -4.03 5.13 0.30 7.83 0.15 -1.26 -4.99 113.70 116.83 1gps s SER 16 Ca 0.08 -1.25 0.04 0.00 0.70 0.00 0.00 55.95 55.52 1gps s SER 16 Cb 0.11 -1.80 0.77 0.00 -1.71 0.00 0.00 66.02 63.39 1gps s SER 16 CO 0.45 -0.31 1.67 -1.13 1.20 0.00 0.00 173.24 175.12 1gps h ASN 17 N 8.12 0.20 -0.89 5.45 -0.73 -1.93 -1.51 115.58 124.28 1gps h ASN 17 Ca -0.22 0.18 0.13 0.00 1.87 0.00 0.00 56.30 58.26 1gps h ASN 17 Cb 1.07 0.20 -0.09 0.00 0.27 0.00 0.00 38.32 39.77 1gps h ASN 17 CO 0.58 -0.09 0.51 0.50 -0.37 0.00 0.00 177.43 178.55 1gps h LYS 18 N 0.30 0.74 -0.64 6.67 3.64 -1.95 -2.03 116.57 123.31 1gps h LYS 18 Ca 0.58 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.84 1gps h LYS 18 Cb 1.17 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1gps h LYS 18 CO -0.60 0.49 0.10 -0.91 -2.27 0.00 0.00 179.45 176.27 1gps h ASN 19 N 0.76 1.00 0.22 4.20 4.21 -1.68 -0.90 115.58 123.40 1gps h ASN 19 Ca 0.47 -0.23 0.01 0.00 1.21 0.00 0.00 56.30 57.75 1gps h ASN 19 Cb 0.57 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 37.46 1gps h ASN 19 CO -0.31 0.99 -0.45 0.00 -1.29 0.00 0.00 177.43 176.37 1gps h ALA 21 N -0.40 0.66 -0.80 0.00 0.00 -1.35 -1.96 119.26 115.41 1gps h ALA 21 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1gps h ALA 21 Cb 0.74 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1gps h ALA 21 CO -0.20 0.19 0.35 0.37 0.00 0.00 0.00 179.25 179.96 1gps h GLN 22 N 0.68 1.17 -0.17 0.00 4.15 -1.06 0.25 115.11 120.13 1gps h GLN 22 Ca 0.18 -0.19 -0.15 0.00 0.77 0.00 0.00 58.65 59.26 1gps h GLN 22 Cb 0.07 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.56 1gps h GLN 22 CO -0.03 0.92 -0.49 0.28 -1.93 0.00 0.00 178.83 177.58 1gps h VAL 23 N 1.15 1.33 -0.41 2.39 2.07 -0.91 -3.16 116.25 118.71 1gps h VAL 23 Ca 0.27 -1.74 0.06 0.00 0.82 0.00 0.00 66.70 66.11 1gps h VAL 23 Cb 0.16 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1gps h VAL 23 CO -0.03 0.54 0.10 0.00 0.02 0.00 0.00 177.57 178.20 1gps h GLN 25 N 0.24 0.59 0.13 0.00 7.50 -0.92 0.76 115.11 123.41 1gps h GLN 25 Ca 0.19 -0.04 -0.29 0.00 0.50 0.00 0.00 58.65 59.02 1gps h GLN 25 Cb 0.22 -0.13 0.02 0.00 0.05 0.00 0.00 27.48 27.64 1gps h GLN 25 CO -0.24 0.39 -1.24 0.37 -1.50 0.00 0.00 178.83 176.62 1gps h GLN 26 N 0.61 0.49 -1.00 1.46 4.15 -1.36 -3.37 115.11 116.09 1gps h GLN 26 Ca 0.17 -0.70 -0.63 0.00 0.77 0.00 0.00 58.65 58.26 1gps h GLN 26 Cb -0.05 0.24 -0.30 0.00 0.21 0.00 0.00 27.48 27.58 1gps h GLN 26 CO -0.04 1.31 0.80 0.39 -1.93 0.00 0.00 178.83 179.36 1gps n GLU 27 N -3.71 2.55 -1.37 1.69 1.02 0.48 -4.87 120.64 116.43 1gps n GLU 27 Ca -0.12 -3.20 0.00 0.00 -0.02 0.00 0.00 57.16 53.82 1gps n GLU 27 Cb 0.99 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1gps n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gps n GLY 28 N -1.00 0.56 3.34 0.62 0.00 -1.05 -4.92 105.19 102.74 1gps n GLY 28 Ca 0.62 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1gps n GLY 28 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gps s TRP 29 N -2.00 2.05 -0.03 1.61 0.52 0.13 -4.96 118.94 116.26 1gps s TRP 29 Ca 0.00 -0.40 -0.24 0.00 0.02 0.00 0.00 56.10 55.48 1gps s TRP 29 Cb 0.00 -1.11 -0.18 0.00 -1.15 0.00 0.00 33.47 31.02 1gps s TRP 29 CO 0.00 0.28 1.10 0.78 0.02 0.00 0.00 176.95 179.12 1gps h GLY 30 N 3.96 -0.17 -1.10 0.98 0.00 -1.25 -3.14 103.07 102.35 1gps h GLY 30 Ca -0.49 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1gps h GLY 30 CO 0.39 -0.06 0.30 -0.32 0.00 0.00 0.00 176.54 176.85 1gps s GLY 31 N -3.16 0.37 0.00 4.60 0.00 -1.03 -4.74 107.32 103.36 1gps s GLY 31 Ca -0.14 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1gps s GLY 31 CO 0.58 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 174.20 1gps n GLY 32 N -0.55 -1.32 3.62 0.20 0.00 -1.26 -0.44 105.19 105.44 1gps n GLY 32 Ca -0.08 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1gps n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gps s ASN 33 N -4.00 -0.39 -0.66 1.61 2.20 -0.80 -4.23 114.94 108.67 1gps s ASN 33 Ca 0.00 -0.25 -0.27 0.00 -0.94 0.00 0.00 52.86 51.40 1gps s ASN 33 Cb 0.00 0.60 0.04 0.00 -2.00 0.00 0.00 41.25 39.89 1gps s ASN 33 CO 0.00 -1.04 1.19 0.00 -2.94 0.00 0.00 177.10 174.31 1gps s ASP 35 N 3.41 6.23 0.38 0.00 -4.77 -0.68 -4.77 116.67 116.46 1gps s ASP 35 Ca 0.36 -0.86 0.00 0.00 -3.30 0.00 0.00 52.55 48.75 1gps s ASP 35 Cb -0.09 -2.38 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 1gps s ASP 35 CO 0.18 -1.23 0.00 0.61 0.70 0.00 0.00 175.17 175.43 1gps n GLY 36 N 5.23 1.69 3.77 2.12 0.00 -1.26 -4.77 105.19 111.97 1gps n GLY 36 Ca -0.04 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1gps n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gps s PRO 37 N 0.00 4.39 0.00 1.61 0.02 -1.26 -4.93 135.00 134.83 1gps s PRO 37 Ca 0.00 1.98 -0.04 0.00 0.02 0.00 0.00 61.00 62.96 1gps s PRO 37 Cb 0.00 -3.02 -0.18 0.00 0.02 0.00 0.00 34.50 31.31 1gps s PRO 37 CO 0.00 -0.07 3.08 1.19 -0.33 0.00 0.00 177.00 180.87 1gps n PHE 38 N 0.78 0.00 -0.02 6.54 3.72 -1.26 -3.52 117.46 123.69 1gps n PHE 38 Ca 0.01 -1.32 -0.03 0.00 -0.05 0.00 0.00 57.45 56.05 1gps n PHE 38 Cb 0.44 -1.25 -0.03 0.00 -0.94 0.00 0.00 39.48 37.70 1gps n PHE 38 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1gps n ARG 39 N 2.21 1.60 -4.45 -1.08 3.00 -1.26 -2.34 116.66 114.34 1gps n ARG 39 Ca 0.29 0.02 -0.34 0.00 -0.01 0.00 0.00 57.85 57.81 1gps n ARG 39 Cb 0.78 -1.11 -0.13 0.00 0.00 0.00 0.00 32.46 32.00 1gps n ARG 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1gps s ARG 40 N -2.10 3.51 -0.36 5.56 1.81 -1.23 -3.84 118.95 122.30 1gps s ARG 40 Ca -0.05 -0.60 -0.04 0.00 -1.72 0.00 0.00 55.73 53.32 1gps s ARG 40 Cb 0.02 -2.83 0.07 0.00 -0.45 0.00 0.00 34.95 31.76 1gps s ARG 40 CO 0.14 0.14 0.13 0.00 -0.68 0.00 0.00 175.30 175.04 1gps s LYS 42 N 1.28 3.47 0.00 0.00 1.02 -1.02 -2.03 119.74 122.45 1gps s LYS 42 Ca 0.01 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 55.87 1gps s LYS 42 Cb -0.21 -3.20 -0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1gps s LYS 42 CO -0.01 0.76 -0.02 0.00 -0.92 0.00 0.00 175.35 175.16 1gps s ILE 44 N -0.26 3.33 0.14 0.00 -4.36 0.41 -1.22 121.20 119.25 1gps s ILE 44 Ca -0.02 -0.77 -0.25 0.00 -0.26 0.00 0.00 60.65 59.36 1gps s ILE 44 Cb -0.02 -2.38 0.07 0.00 1.25 0.00 0.00 42.46 41.38 1gps s ILE 44 CO -0.00 0.49 0.85 -0.60 0.24 0.00 0.00 174.94 175.92 1gps s ARG 45 N -1.08 1.23 -0.30 0.37 6.06 0.07 -0.82 118.95 124.47 1gps s ARG 45 Ca 0.14 -0.61 -0.03 0.00 -2.50 0.00 0.00 55.73 52.73 1gps s ARG 45 Cb -0.11 0.46 0.04 0.00 0.06 0.00 0.00 34.95 35.41 1gps s ARG 45 CO 0.04 -0.55 0.02 -0.65 -2.50 0.00 0.00 175.30 171.65 1gps s GLN 46 N -3.42 2.53 0.00 5.12 -0.21 -1.26 -1.56 119.66 120.86 1gps s GLN 46 Ca 0.09 -1.21 0.11 0.00 0.02 0.00 0.00 55.36 54.38 1gps s GLN 46 Cb -0.02 -3.24 0.68 0.00 1.00 0.00 0.00 33.01 31.43 1gps s GLN 46 CO -0.02 -0.60 1.11 0.00 -2.12 0.00 0.00 175.29 173.66