#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpa s PRO 2 N 0.00 4.27 0.00 -0.14 0.04 -1.26 -4.60 135.00 133.31 1tpa s PRO 2 Ca 0.00 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1tpa s PRO 2 Cb 0.00 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1tpa s PRO 2 CO 0.00 -0.61 0.00 -3.47 0.04 0.00 0.00 177.00 172.96 1tpa n ASP 3 N 5.72 0.00 0.29 6.66 -0.08 -1.26 0.00 116.55 127.89 1tpa n ASP 3 Ca 0.14 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.58 1tpa n ASP 3 Cb 0.44 0.00 0.91 0.00 2.34 0.00 0.00 41.12 44.81 1tpa n ASP 3 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1tpa h PHE 4 N 0.00 0.00 0.00 -0.67 -5.15 -1.99 -1.85 116.94 107.28 1tpa h PHE 4 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1tpa h PHE 4 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1tpa h PHE 4 CO 0.00 0.04 0.00 0.00 -2.00 0.00 0.00 178.31 176.35 1tpa n LEU 6 N -1.60 1.85 -4.77 0.00 4.77 -0.70 -4.58 117.00 111.98 1tpa n LEU 6 Ca 0.04 -0.66 -0.38 0.00 -0.03 0.00 0.00 56.01 54.98 1tpa n LEU 6 Cb 0.21 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1tpa n LEU 6 CO 0.17 0.34 0.71 -1.61 -1.33 0.00 0.00 177.39 175.67 1tpa s GLU 7 N -2.46 4.53 0.59 3.23 2.02 -0.84 -4.94 118.70 120.83 1tpa s GLU 7 Ca 0.20 1.52 -0.19 0.00 0.02 0.00 0.00 54.97 56.51 1tpa s GLU 7 Cb 0.18 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 1tpa s GLU 7 CO 0.55 0.19 1.24 -1.25 0.02 0.00 0.00 175.26 176.01 1tpa s PRO 8 N -1.88 2.99 0.32 0.39 0.04 -1.26 -4.91 135.00 130.69 1tpa s PRO 8 Ca 0.49 1.91 -0.29 0.00 0.04 0.00 0.00 61.00 63.15 1tpa s PRO 8 Cb -0.24 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1tpa s PRO 8 CO 0.30 -1.22 1.29 -1.25 0.04 0.00 0.00 177.00 176.16 1tpa s PRO 9 N -3.24 4.39 -0.35 0.56 0.04 -1.26 -4.96 135.00 130.17 1tpa s PRO 9 Ca 0.77 2.17 -0.04 0.00 0.04 0.00 0.00 61.00 63.94 1tpa s PRO 9 Cb -0.33 -3.08 0.06 0.00 0.04 0.00 0.00 34.50 31.19 1tpa s PRO 9 CO 0.36 -0.15 0.11 -0.47 0.04 0.00 0.00 177.00 176.89 1tpa s TYR 10 N -1.12 3.34 0.15 0.56 6.14 -1.26 -4.99 117.35 120.17 1tpa s TYR 10 Ca 0.49 -1.82 -0.10 0.00 0.64 0.00 0.00 57.07 56.28 1tpa s TYR 10 Cb -0.39 -2.51 -0.03 0.00 0.42 0.00 0.00 41.96 39.45 1tpa s TYR 10 CO 0.51 -0.82 1.47 1.15 0.64 0.00 0.00 175.55 178.50 1tpa h THR 11 N 6.31 1.27 -0.09 4.34 2.02 -1.96 -3.44 112.91 121.37 1tpa h THR 11 Ca -0.20 -1.61 0.01 0.00 0.77 0.00 0.00 66.41 65.38 1tpa h THR 11 Cb 1.07 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1tpa h THR 11 CO 0.62 0.53 -0.02 0.61 0.37 0.00 0.00 175.52 177.63 1tpa n GLY 12 N 0.18 -1.43 0.16 2.16 0.00 -1.26 -1.09 105.19 103.91 1tpa n GLY 12 Ca -0.03 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.59 1tpa n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tpa h PRO 13 N -0.04 0.00 -7.07 1.61 0.13 -1.95 -3.44 132.00 121.25 1tpa h PRO 13 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1tpa h PRO 13 Cb 0.03 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.20 1tpa h PRO 13 CO 0.00 0.00 0.40 0.00 -0.23 0.00 0.00 178.00 178.17 1tpa n LYS 15 N -0.98 2.63 -1.90 0.00 5.02 -1.18 -4.32 118.16 117.44 1tpa n LYS 15 Ca 0.10 -3.51 -0.30 0.00 -2.02 0.00 0.00 58.31 52.57 1tpa n LYS 15 Cb 0.52 -2.11 0.04 0.00 -0.02 0.00 0.00 35.03 33.46 1tpa n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tpa s ALA 16 N -3.51 2.95 -0.75 7.82 0.00 0.14 -5.03 121.76 123.37 1tpa s ALA 16 Ca 0.53 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 1tpa s ALA 16 Cb 0.44 -3.03 0.19 0.00 0.00 0.00 0.00 23.12 20.72 1tpa s ALA 16 CO 0.01 -1.04 0.59 0.50 0.00 0.00 0.00 175.76 175.83 1tpa s ARG 17 N -5.31 2.85 -0.21 0.00 3.00 -1.26 -4.08 118.95 113.93 1tpa s ARG 17 Ca 0.57 -2.95 -0.05 0.00 -1.00 0.00 0.00 55.73 52.30 1tpa s ARG 17 Cb -0.11 -3.79 -0.02 0.00 0.00 0.00 0.00 34.95 31.04 1tpa s ARG 17 CO 0.52 -1.22 -0.01 0.42 0.00 0.00 0.00 175.30 175.00 1tpa s ILE 18 N -0.79 3.74 -0.28 4.11 1.01 -0.30 -4.94 121.20 123.76 1tpa s ILE 18 Ca 0.22 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.24 1tpa s ILE 18 Cb -0.13 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.64 1tpa s ILE 18 CO -0.09 0.42 0.89 -0.63 0.00 0.00 0.00 174.94 175.53 1tpa s ILE 19 N 1.22 4.74 0.44 2.92 1.01 -1.26 0.42 121.20 130.68 1tpa s ILE 19 Ca 0.03 1.51 0.03 0.00 0.00 0.00 0.00 60.65 62.23 1tpa s ILE 19 Cb -0.15 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 1tpa s ILE 19 CO 0.00 -0.23 0.06 -0.13 0.00 0.00 0.00 174.94 174.64 1tpa s ARG 20 N 3.09 2.00 0.08 2.79 1.81 -0.87 -4.97 118.95 122.88 1tpa s ARG 20 Ca 0.37 -2.22 0.07 0.00 -1.72 0.00 0.00 55.73 52.23 1tpa s ARG 20 Cb -0.14 -1.12 -0.04 0.00 -0.45 0.00 0.00 34.95 33.20 1tpa s ARG 20 CO 0.11 -0.34 -0.12 0.71 -0.68 0.00 0.00 175.30 174.97 1tpa s TYR 21 N -3.03 2.70 0.01 -0.53 1.51 -0.62 -1.45 117.35 115.94 1tpa s TYR 21 Ca 0.20 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 1tpa s TYR 21 Cb 0.04 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1tpa s TYR 21 CO 0.11 0.38 0.04 -0.59 -1.11 0.00 0.00 175.55 174.37 1tpa s PHE 22 N -1.12 0.14 -0.17 2.71 -0.12 0.11 -0.04 117.98 119.48 1tpa s PHE 22 Ca 0.19 -0.29 -0.29 0.00 -0.05 0.00 0.00 56.93 56.48 1tpa s PHE 22 Cb -0.11 -0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.15 1tpa s PHE 22 CO 0.11 -0.19 1.44 -0.47 -0.05 0.00 0.00 175.22 176.06 1tpa s TYR 23 N -1.18 2.45 -0.69 3.49 6.14 -1.26 -0.61 117.35 125.68 1tpa s TYR 23 Ca -0.13 0.69 -0.14 0.00 0.64 0.00 0.00 57.07 58.13 1tpa s TYR 23 Cb -0.08 -3.77 0.18 0.00 0.42 0.00 0.00 41.96 38.71 1tpa s TYR 23 CO -0.00 -2.50 0.63 1.21 0.64 0.00 0.00 175.55 175.53 1tpa s ASN 24 N 2.93 6.39 0.55 4.32 2.47 0.45 -4.79 114.94 127.26 1tpa s ASN 24 Ca 0.63 -2.35 0.25 0.00 0.42 0.00 0.00 52.86 51.81 1tpa s ASN 24 Cb -0.24 -2.17 1.58 0.00 -1.45 0.00 0.00 41.25 38.97 1tpa s ASN 24 CO 0.23 -0.66 2.19 0.00 -3.72 0.00 0.00 177.10 175.13 1tpa h ALA 25 N 8.14 1.62 -0.27 1.71 0.00 -1.82 0.41 119.26 129.05 1tpa h ALA 25 Ca -0.06 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1tpa h ALA 25 Cb 1.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1tpa h ALA 25 CO 0.85 0.04 -0.57 0.87 0.00 0.00 0.00 179.25 180.44 1tpa h LYS 26 N 0.00 0.84 0.00 0.00 1.57 -1.93 -3.06 116.57 113.99 1tpa h LYS 26 Ca -0.00 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1tpa h LYS 26 Cb 0.07 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1tpa h LYS 26 CO 0.00 1.18 -0.43 0.00 -0.57 0.00 0.00 179.45 179.63 1tpa h ALA 27 N 0.71 0.74 -4.00 3.86 0.00 -1.92 -3.47 119.26 115.17 1tpa h ALA 27 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 1tpa h ALA 27 Cb 1.17 0.00 0.07 0.00 0.00 0.00 0.00 17.79 19.03 1tpa h ALA 27 CO 0.12 0.00 -0.50 0.41 0.00 0.00 0.00 179.25 179.29 1tpa n GLY 28 N 1.27 -0.25 3.70 0.00 0.00 0.14 -5.01 105.19 105.03 1tpa n GLY 28 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1tpa n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1tpa s LEU 29 N -5.55 0.13 -0.16 0.99 2.34 -0.83 -4.95 118.68 110.65 1tpa s LEU 29 Ca 0.31 -0.87 -0.26 0.00 0.06 0.00 0.00 54.13 53.38 1tpa s LEU 29 Cb -0.14 2.17 -0.01 0.00 -0.56 0.00 0.00 46.19 47.65 1tpa s LEU 29 CO 0.39 -1.27 0.86 0.00 -1.06 0.00 0.00 176.35 175.27 1tpa s GLN 31 N 2.10 2.31 0.27 0.00 -0.21 0.22 -4.92 119.66 119.43 1tpa s GLN 31 Ca 0.40 -1.65 -0.04 0.00 0.02 0.00 0.00 55.36 54.09 1tpa s GLN 31 Cb -0.17 -2.11 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 1tpa s GLN 31 CO 0.13 0.03 0.52 0.95 -2.12 0.00 0.00 175.29 174.80 1tpa s THR 32 N -2.49 5.06 0.21 -0.19 -4.23 -1.26 0.05 115.64 112.80 1tpa s THR 32 Ca 0.39 -0.04 -0.22 0.00 -1.18 0.00 0.00 61.69 60.64 1tpa s THR 32 Cb -0.01 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.15 1tpa s THR 32 CO 0.23 -0.30 0.64 0.72 -0.54 0.00 0.00 174.62 175.37 1tpa s PHE 33 N -2.04 -0.36 -0.31 3.99 -0.12 -0.53 -4.91 117.98 113.69 1tpa s PHE 33 Ca 0.43 0.04 -0.17 0.00 -0.05 0.00 0.00 56.93 57.18 1tpa s PHE 33 Cb -0.11 0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1tpa s PHE 33 CO 0.30 -1.01 0.48 0.08 -0.05 0.00 0.00 175.22 175.02 1tpa s VAL 34 N -3.83 5.07 -0.21 -2.49 1.01 -1.26 -2.04 120.40 116.65 1tpa s VAL 34 Ca 0.06 0.55 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 1tpa s VAL 34 Cb -0.03 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1tpa s VAL 34 CO -0.04 -0.04 0.09 -0.47 0.00 0.00 0.00 175.10 174.64 1tpa s TYR 35 N 2.29 3.25 -1.66 5.22 5.04 0.17 -4.31 117.35 127.35 1tpa s TYR 35 Ca 0.18 0.05 0.30 0.00 -2.44 0.00 0.00 57.07 55.16 1tpa s TYR 35 Cb -0.16 -2.16 1.65 0.00 0.35 0.00 0.00 41.96 41.65 1tpa s TYR 35 CO 0.11 0.05 2.10 0.41 -1.34 0.00 0.00 175.55 176.89 1tpa n GLY 36 N 3.95 -1.15 0.00 8.97 0.00 -0.25 -1.15 105.19 115.56 1tpa n GLY 36 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1tpa n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tpa n GLY 37 N 1.13 0.76 3.29 -0.02 0.00 -1.26 -0.69 105.19 108.40 1tpa n GLY 37 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1tpa n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tpa n ARG 39 N -0.18 -6.59 -1.61 0.00 1.74 -1.26 -4.46 116.66 104.31 1tpa n ARG 39 Ca -0.15 0.70 -0.40 0.00 -0.77 0.00 0.00 57.85 57.22 1tpa n ARG 39 Cb 0.63 -5.33 0.03 0.00 -1.02 0.00 0.00 32.46 26.77 1tpa n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tpa n ALA 40 N -4.51 0.20 -2.58 7.54 0.00 -1.26 -4.89 120.51 115.00 1tpa n ALA 40 Ca -0.01 0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 1tpa n ALA 40 Cb 0.56 -2.09 0.11 0.00 0.00 0.00 0.00 19.45 18.03 1tpa n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1tpa n LYS 41 N -0.23 -0.06 0.17 0.00 5.02 -1.26 -5.02 118.16 116.78 1tpa n LYS 41 Ca 0.11 -2.51 0.05 0.00 -2.02 0.00 0.00 58.31 53.94 1tpa n LYS 41 Cb 0.42 -0.62 0.18 0.00 -0.02 0.00 0.00 35.03 34.99 1tpa n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tpa h ARG 42 N 0.00 0.00 -3.52 1.97 3.08 -1.96 -3.34 114.38 110.61 1tpa h ARG 42 Ca -0.31 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.11 1tpa h ARG 42 Cb 1.13 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.19 1tpa h ARG 42 CO 0.33 0.38 3.28 -1.71 -1.07 0.00 0.00 179.97 181.18 1tpa n ASN 43 N -3.29 6.04 -3.22 7.04 5.15 -1.26 -4.70 115.26 121.02 1tpa n ASN 43 Ca 0.01 -2.62 -0.01 0.00 -0.60 0.00 0.00 54.58 51.36 1tpa n ASN 43 Cb 0.62 -1.46 -0.03 0.00 -0.53 0.00 0.00 39.78 38.38 1tpa n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1tpa s ASN 44 N 2.98 -0.77 0.15 1.20 3.84 -1.24 -4.62 114.94 116.48 1tpa s ASN 44 Ca 0.57 0.04 0.11 0.00 0.21 0.00 0.00 52.86 53.78 1tpa s ASN 44 Cb 0.15 1.66 -0.04 0.00 -0.55 0.00 0.00 41.25 42.47 1tpa s ASN 44 CO -0.05 -0.32 -0.25 -0.36 -2.79 0.00 0.00 177.10 173.33 1tpa s PHE 45 N 2.71 2.26 -1.02 0.43 0.40 0.94 -4.93 117.98 118.77 1tpa s PHE 45 Ca 0.11 -0.38 0.25 0.00 -0.60 0.00 0.00 56.93 56.31 1tpa s PHE 45 Cb -0.12 -1.19 0.47 0.00 0.51 0.00 0.00 43.02 42.69 1tpa s PHE 45 CO -0.27 0.38 1.39 1.63 0.70 0.00 0.00 175.22 179.05 1tpa n LYS 46 N 0.72 0.02 -3.75 0.44 5.02 -1.26 -1.59 118.16 117.76 1tpa n LYS 46 Ca -0.16 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.02 1tpa n LYS 46 Cb 0.54 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.99 1tpa n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1tpa s SER 47 N -2.99 -0.07 0.52 4.39 1.04 -1.26 -4.82 113.70 110.51 1tpa s SER 47 Ca 0.11 -0.42 0.22 0.00 0.48 0.00 0.00 55.95 56.35 1tpa s SER 47 Cb 0.17 0.40 1.41 0.00 0.10 0.00 0.00 66.02 68.10 1tpa s SER 47 CO 0.71 -0.75 2.12 0.00 0.98 0.00 0.00 173.24 176.30 1tpa h ALA 48 N 2.70 1.61 -0.24 5.32 0.00 -1.97 -2.30 119.26 124.38 1tpa h ALA 48 Ca -0.33 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 1tpa h ALA 48 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1tpa h ALA 48 CO 0.50 0.09 -0.63 0.93 0.00 0.00 0.00 179.25 180.14 1tpa h GLU 49 N 0.00 0.85 -0.28 0.00 3.07 -1.98 0.25 114.58 116.48 1tpa h GLU 49 Ca -0.00 -0.60 -0.01 0.00 -0.50 0.00 0.00 59.36 58.26 1tpa h GLU 49 Cb 0.16 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1tpa h GLU 49 CO 0.01 1.22 0.15 -0.44 -1.40 0.00 0.00 179.01 178.55 1tpa h ASP 50 N 0.62 0.35 -0.36 1.42 3.32 -1.92 -0.30 116.42 119.55 1tpa h ASP 50 Ca -0.01 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 56.99 1tpa h ASP 50 Cb 1.25 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 1tpa h ASP 50 CO 0.14 0.34 0.14 0.00 -1.72 0.00 0.00 179.24 178.13 1tpa h MET 52 N 0.30 0.90 -0.69 0.00 1.85 -0.36 0.22 114.93 117.15 1tpa h MET 52 Ca 0.16 -0.21 -0.06 0.00 -0.61 0.00 0.00 59.70 58.99 1tpa h MET 52 Cb 0.12 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.00 1tpa h MET 52 CO -0.15 0.83 0.21 -0.09 -0.40 0.00 0.00 176.91 177.30 1tpa h ARG 53 N 0.80 1.07 0.04 0.39 2.43 -0.64 -0.34 114.38 118.13 1tpa h ARG 53 Ca 0.18 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1tpa h ARG 53 Cb 0.32 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1tpa h ARG 53 CO -0.00 0.93 -0.02 1.15 -1.51 0.00 0.00 179.97 180.52 1tpa h THR 54 N 1.01 1.35 0.00 0.20 2.02 -0.70 -3.41 112.91 113.38 1tpa h THR 54 Ca 0.22 -1.42 -0.32 0.00 0.77 0.00 0.00 66.41 65.67 1tpa h THR 54 Cb 0.31 2.27 -0.06 0.00 -1.74 0.00 0.00 68.15 68.93 1tpa h THR 54 CO -0.01 0.35 -2.25 0.00 0.37 0.00 0.00 175.52 173.98 1tpa n GLY 56 N 1.82 1.15 0.00 0.00 0.00 -0.14 -0.52 105.19 107.50 1tpa n GLY 56 Ca -0.28 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1tpa n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tpa n GLY 57 N 5.58 1.72 0.23 -0.02 0.00 -1.26 -4.14 105.19 107.30 1tpa n GLY 57 Ca 0.29 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.34 1tpa n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32