#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pit s PRO 2 N 0.00 1.11 0.12 2.89 0.04 -1.26 -4.99 135.00 132.91 1pit s PRO 2 Ca 0.00 0.53 -0.05 0.00 0.04 0.00 0.00 61.00 61.51 1pit s PRO 2 Cb 0.00 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.60 1pit s PRO 2 CO 0.00 -2.27 1.28 0.38 0.04 0.00 0.00 177.00 176.43 1pit h ASP 3 N -1.56 0.57 0.31 6.66 2.03 -2.05 -3.32 116.42 119.07 1pit h ASP 3 Ca -0.51 -0.47 -0.01 0.00 -0.73 0.00 0.00 57.03 55.31 1pit h ASP 3 Cb 1.31 -0.17 -0.00 0.00 -0.83 0.00 0.00 39.33 39.63 1pit h ASP 3 CO 0.59 1.27 -0.07 2.19 -1.03 0.00 0.00 179.24 182.19 1pit h PHE 4 N 0.24 0.00 -0.26 4.15 -5.15 -1.99 -0.24 116.94 113.68 1pit h PHE 4 Ca -0.09 0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.75 1pit h PHE 4 Cb 1.62 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.78 1pit h PHE 4 CO 0.07 0.07 0.40 0.00 -2.00 0.00 0.00 178.31 176.85 1pit n LEU 6 N -3.42 3.27 -4.77 0.00 4.32 -0.10 -3.85 117.00 112.45 1pit n LEU 6 Ca 0.04 -1.62 -0.34 0.00 -0.02 0.00 0.00 56.01 54.07 1pit n LEU 6 Cb 0.53 -0.26 0.03 0.00 -1.62 0.00 0.00 43.42 42.11 1pit n LEU 6 CO 0.22 0.74 0.76 -1.83 -1.22 0.00 0.00 177.39 176.07 1pit s GLU 7 N -1.24 2.95 0.28 3.23 4.04 -0.27 -4.83 118.70 122.86 1pit s GLU 7 Ca 0.34 1.51 -0.25 0.00 0.04 0.00 0.00 54.97 56.61 1pit s GLU 7 Cb 0.20 -1.96 -0.09 0.00 0.02 0.00 0.00 34.13 32.29 1pit s GLU 7 CO 0.27 -1.15 0.89 -1.25 -1.84 0.00 0.00 175.26 172.17 1pit s PRO 8 N -3.78 4.55 -0.54 -4.83 0.04 -1.26 -4.91 135.00 124.27 1pit s PRO 8 Ca 0.70 1.24 -0.26 0.00 0.04 0.00 0.00 61.00 62.72 1pit s PRO 8 Cb -0.23 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 1pit s PRO 8 CO 0.36 0.35 2.14 -1.25 0.04 0.00 0.00 177.00 178.65 1pit s PRO 9 N -1.87 2.37 -0.46 0.56 0.04 -1.26 -4.92 135.00 129.47 1pit s PRO 9 Ca 0.47 1.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.29 1pit s PRO 9 Cb -0.19 -4.49 0.03 0.00 0.04 0.00 0.00 34.50 29.89 1pit s PRO 9 CO 0.24 -2.99 0.97 -0.47 0.04 0.00 0.00 177.00 174.79 1pit s TYR 10 N 10.64 2.90 0.29 0.56 5.04 -1.26 -4.90 117.35 130.62 1pit s TYR 10 Ca 0.83 0.47 0.05 0.00 -2.44 0.00 0.00 57.07 55.99 1pit s TYR 10 Cb -0.15 -4.07 0.44 0.00 0.35 0.00 0.00 41.96 38.53 1pit s TYR 10 CO 0.24 -1.13 1.70 1.15 -1.34 0.00 0.00 175.55 176.17 1pit h THR 11 N 6.11 1.30 -0.74 4.34 2.02 -1.91 -3.44 112.91 120.59 1pit h THR 11 Ca -0.24 -1.47 0.07 0.00 0.77 0.00 0.00 66.41 65.55 1pit h THR 11 Cb 1.07 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 69.06 1pit h THR 11 CO 1.05 0.44 -0.27 0.61 0.37 0.00 0.00 175.52 177.72 1pit n GLY 12 N -0.21 -2.78 2.37 2.16 0.00 -1.26 -1.40 105.19 104.06 1pit n GLY 12 Ca -0.01 -1.37 -0.21 0.00 0.00 0.00 0.00 46.02 44.43 1pit n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pit n PRO 13 N -2.50 2.23 -4.89 1.61 -0.04 -1.26 -4.71 135.00 125.45 1pit n PRO 13 Ca -0.02 -1.36 -0.27 0.00 -0.04 0.00 0.00 63.50 61.80 1pit n PRO 13 Cb 0.14 -2.32 -0.15 0.00 -0.04 0.00 0.00 33.50 31.14 1pit n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pit n LYS 15 N 2.16 5.26 -3.82 0.00 4.01 -1.26 -4.54 118.16 119.98 1pit n LYS 15 Ca -0.16 -4.67 -0.11 0.00 -0.51 0.00 0.00 58.31 52.86 1pit n LYS 15 Cb 0.53 -2.46 -0.08 0.00 -0.51 0.00 0.00 35.03 32.51 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pit s ALA 16 N -4.17 -0.46 -0.51 7.82 0.00 -1.26 -5.09 121.76 118.09 1pit s ALA 16 Ca 0.39 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.23 1pit s ALA 16 Cb 0.18 0.30 0.32 0.00 0.00 0.00 0.00 23.12 23.92 1pit s ALA 16 CO -0.11 -0.38 0.81 0.54 0.00 0.00 0.00 175.76 176.62 1pit n ARG 17 N 0.64 2.22 -2.48 0.00 3.00 -1.24 -3.67 116.66 115.12 1pit n ARG 17 Ca -0.19 -4.24 -0.43 0.00 -0.01 0.00 0.00 57.85 52.99 1pit n ARG 17 Cb 0.59 -1.98 -0.02 0.00 0.00 0.00 0.00 32.46 31.05 1pit n ARG 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1pit s ILE 18 N -3.23 4.30 0.14 0.55 1.01 0.12 -4.75 121.20 119.34 1pit s ILE 18 Ca 0.44 1.51 -0.31 0.00 0.00 0.00 0.00 60.65 62.29 1pit s ILE 18 Cb 0.27 -4.17 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 1pit s ILE 18 CO -0.10 -0.35 1.79 -0.63 0.00 0.00 0.00 174.94 175.65 1pit s ILE 19 N 3.88 2.45 0.29 2.92 -1.09 -1.26 -0.31 121.20 128.08 1pit s ILE 19 Ca 0.53 0.08 0.03 0.00 -2.23 0.00 0.00 60.65 59.05 1pit s ILE 19 Cb -0.17 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 1pit s ILE 19 CO 0.18 0.00 0.15 -0.13 -1.23 0.00 0.00 174.94 173.91 1pit s ARG 20 N 2.32 1.53 0.22 2.79 1.81 0.27 -4.89 118.95 123.01 1pit s ARG 20 Ca 0.79 -1.86 0.06 0.00 -1.72 0.00 0.00 55.73 52.99 1pit s ARG 20 Cb -0.46 -0.06 -0.05 0.00 -0.45 0.00 0.00 34.95 33.92 1pit s ARG 20 CO 0.35 -0.43 -0.08 0.71 -0.68 0.00 0.00 175.30 175.17 1pit s TYR 21 N -3.68 1.67 -0.01 -0.53 1.51 -0.63 -0.13 117.35 115.55 1pit s TYR 21 Ca 0.37 -0.73 -0.21 0.00 -1.01 0.00 0.00 57.07 55.49 1pit s TYR 21 Cb 0.05 -0.90 0.04 0.00 -0.11 0.00 0.00 41.96 41.05 1pit s TYR 21 CO 0.17 0.19 0.45 -0.59 -1.11 0.00 0.00 175.55 174.66 1pit s PHE 22 N -3.15 -0.35 0.02 2.71 -0.71 0.22 -0.32 117.98 116.39 1pit s PHE 22 Ca 0.25 0.52 -0.30 0.00 -1.04 0.00 0.00 56.93 56.36 1pit s PHE 22 Cb 0.03 0.22 -0.05 0.00 -1.21 0.00 0.00 43.02 42.01 1pit s PHE 22 CO 0.08 -0.50 1.22 -0.47 -1.34 0.00 0.00 175.22 174.21 1pit s TYR 23 N -1.56 3.30 -0.44 3.49 6.14 -1.26 -0.67 117.35 126.35 1pit s TYR 23 Ca -0.11 1.22 -0.09 0.00 0.64 0.00 0.00 57.07 58.74 1pit s TYR 23 Cb -0.03 -3.44 0.10 0.00 0.42 0.00 0.00 41.96 39.01 1pit s TYR 23 CO 0.04 -1.41 0.29 1.21 0.64 0.00 0.00 175.55 176.33 1pit s ASN 24 N 1.28 5.63 0.62 4.32 2.47 -0.49 -4.72 114.94 124.05 1pit s ASN 24 Ca 0.58 -1.71 0.28 0.00 0.42 0.00 0.00 52.86 52.43 1pit s ASN 24 Cb -0.28 -1.98 1.44 0.00 -1.45 0.00 0.00 41.25 38.98 1pit s ASN 24 CO 0.27 -0.60 1.84 0.00 -3.72 0.00 0.00 177.10 174.88 1pit h ALA 25 N 8.40 1.87 0.00 1.71 0.00 -1.86 0.48 119.26 129.86 1pit h ALA 25 Ca -0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1pit h ALA 25 Cb 1.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1pit h ALA 25 CO 0.79 -0.62 -0.18 -0.22 0.00 0.00 0.00 179.25 179.03 1pit h LYS 26 N 0.00 0.00 0.00 0.00 3.11 -1.93 -3.19 116.57 114.56 1pit h LYS 26 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1pit h LYS 26 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.31 1pit h LYS 26 CO -0.00 0.18 -0.69 0.00 -2.81 0.00 0.00 179.45 176.13 1pit n ALA 27 N -2.20 2.40 -3.46 5.00 0.00 0.04 -5.04 120.51 117.25 1pit n ALA 27 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.13 1pit n ALA 27 Cb 0.41 -0.17 0.09 0.00 0.00 0.00 0.00 19.45 19.78 1pit n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pit n GLY 28 N 1.64 -0.41 3.44 0.00 0.00 0.15 -5.00 105.19 105.02 1pit n GLY 28 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1pit n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pit s LEU 29 N -6.59 -0.56 -0.18 0.99 1.98 -1.21 -5.00 118.68 108.10 1pit s LEU 29 Ca 0.18 0.12 -0.23 0.00 -2.89 0.00 0.00 54.13 51.30 1pit s LEU 29 Cb -0.08 2.53 -0.02 0.00 0.66 0.00 0.00 46.19 49.28 1pit s LEU 29 CO 0.72 -0.88 0.75 0.00 -1.89 0.00 0.00 176.35 175.05 1pit s GLN 31 N 2.05 1.23 0.34 0.00 -0.21 0.15 -4.88 119.66 118.35 1pit s GLN 31 Ca 0.34 -1.58 -0.06 0.00 0.02 0.00 0.00 55.36 54.08 1pit s GLN 31 Cb -0.16 -0.64 -0.05 0.00 1.00 0.00 0.00 33.01 33.16 1pit s GLN 31 CO 0.12 -0.02 0.63 0.95 -2.12 0.00 0.00 175.29 174.85 1pit s THR 32 N -3.36 4.95 0.26 -0.19 -4.23 -1.26 -0.61 115.64 111.20 1pit s THR 32 Ca 0.24 0.18 -0.18 0.00 -1.18 0.00 0.00 61.69 60.75 1pit s THR 32 Cb 0.04 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 70.14 1pit s THR 32 CO 0.05 -0.44 0.62 0.72 -0.54 0.00 0.00 174.62 175.04 1pit s PHE 33 N -2.24 -0.01 -0.12 3.99 -0.71 0.82 -4.89 117.98 114.81 1pit s PHE 33 Ca 0.46 -0.41 -0.18 0.00 -1.04 0.00 0.00 56.93 55.76 1pit s PHE 33 Cb -0.10 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1pit s PHE 33 CO 0.32 -1.13 0.48 0.08 -1.34 0.00 0.00 175.22 173.63 1pit s VAL 34 N -3.95 5.18 0.13 -2.49 1.01 -1.26 -0.57 120.40 118.46 1pit s VAL 34 Ca 0.14 0.95 0.09 0.00 0.00 0.00 0.00 61.98 63.17 1pit s VAL 34 Cb -0.04 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1pit s VAL 34 CO 0.07 0.32 -0.17 -0.47 0.00 0.00 0.00 175.10 174.84 1pit s TYR 35 N 0.69 2.53 0.00 5.22 5.04 0.58 -4.68 117.35 126.73 1pit s TYR 35 Ca 0.26 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 1pit s TYR 35 Cb -0.15 -1.32 0.00 0.00 0.35 0.00 0.00 41.96 40.84 1pit s TYR 35 CO 0.10 0.42 0.00 0.41 -1.34 0.00 0.00 175.55 175.14 1pit n GLY 36 N 0.62 -1.93 0.00 8.97 0.00 -0.49 0.15 105.19 112.51 1pit n GLY 36 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1pit n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pit n GLY 37 N 0.00 -0.25 3.88 -0.02 0.00 -1.26 -3.87 105.19 103.66 1pit n GLY 37 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1pit n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pit n ARG 39 N -1.19 -2.17 -2.43 0.00 1.74 -1.26 -4.75 116.66 106.61 1pit n ARG 39 Ca 0.02 0.75 -0.39 0.00 -0.77 0.00 0.00 57.85 57.46 1pit n ARG 39 Cb 0.54 -5.28 -0.04 0.00 -1.02 0.00 0.00 32.46 26.67 1pit n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pit s ALA 40 N -3.34 3.27 0.90 7.54 0.00 -1.26 -4.76 121.76 124.12 1pit s ALA 40 Ca 0.38 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 1pit s ALA 40 Cb -0.05 -3.34 0.19 0.00 0.00 0.00 0.00 23.12 19.93 1pit s ALA 40 CO 0.64 -0.29 1.18 1.63 0.00 0.00 0.00 175.76 178.92 1pit n LYS 41 N 0.59 -0.84 0.06 0.00 4.76 -1.26 -5.01 118.16 116.46 1pit n LYS 41 Ca 0.02 -2.23 -0.09 0.00 -2.87 0.00 0.00 58.31 53.14 1pit n LYS 41 Cb 0.46 -1.08 0.05 0.00 -1.84 0.00 0.00 35.03 32.61 1pit n LYS 41 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pit h ARG 42 N 0.00 0.36 -2.28 1.97 3.08 -1.97 -3.36 114.38 112.18 1pit h ARG 42 Ca -0.38 -0.29 -0.48 0.00 0.07 0.00 0.00 59.98 58.89 1pit h ARG 42 Cb 1.17 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 31.17 1pit h ARG 42 CO 0.31 0.93 1.11 -1.71 -1.07 0.00 0.00 179.97 179.54 1pit n ASN 43 N -3.83 6.79 -3.47 7.04 5.15 -1.26 -4.76 115.26 120.92 1pit n ASN 43 Ca -0.04 -2.89 -0.29 0.00 -0.60 0.00 0.00 54.58 50.77 1pit n ASN 43 Cb 0.69 -1.36 -0.12 0.00 -0.53 0.00 0.00 39.78 38.46 1pit n ASN 43 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1pit s ASN 44 N 1.11 3.00 0.48 1.20 -0.87 -1.25 -4.23 114.94 114.38 1pit s ASN 44 Ca 0.62 -2.04 0.07 0.00 -1.57 0.00 0.00 52.86 49.94 1pit s ASN 44 Cb 0.29 -0.36 0.01 0.00 -0.02 0.00 0.00 41.25 41.17 1pit s ASN 44 CO -0.11 -0.33 0.45 -0.36 -2.57 0.00 0.00 177.10 174.18 1pit s PHE 45 N 1.23 2.18 -0.29 2.20 0.08 0.56 -4.90 117.98 119.05 1pit s PHE 45 Ca 0.17 -0.64 0.13 0.00 0.12 0.00 0.00 56.93 56.71 1pit s PHE 45 Cb -0.22 -2.10 -0.17 0.00 -0.57 0.00 0.00 43.02 39.96 1pit s PHE 45 CO -0.05 -0.38 0.40 1.63 -0.10 0.00 0.00 175.22 176.72 1pit n LYS 46 N -1.72 1.52 -3.79 0.44 5.02 -1.26 -1.61 118.16 116.76 1pit n LYS 46 Ca 0.04 -0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.17 1pit n LYS 46 Cb 0.63 -1.21 -0.05 0.00 -0.02 0.00 0.00 35.03 34.37 1pit n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pit s SER 47 N -2.89 -0.13 0.35 4.39 1.04 -1.26 -4.84 113.70 110.35 1pit s SER 47 Ca -0.00 -0.58 0.05 0.00 0.48 0.00 0.00 55.95 55.89 1pit s SER 47 Cb 0.09 0.49 0.64 0.00 0.10 0.00 0.00 66.02 67.34 1pit s SER 47 CO 0.53 -0.93 1.91 0.00 0.98 0.00 0.00 173.24 175.72 1pit h ALA 48 N 2.39 1.42 0.24 5.32 0.00 -1.95 -1.92 119.26 124.77 1pit h ALA 48 Ca -0.31 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1pit h ALA 48 Cb 1.24 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1pit h ALA 48 CO 0.44 0.41 -0.39 0.93 0.00 0.00 0.00 179.25 180.64 1pit h GLU 49 N 0.52 -0.68 -0.41 0.00 4.39 -1.98 0.85 114.58 117.27 1pit h GLU 49 Ca 0.12 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 1pit h GLU 49 Cb 0.26 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1pit h GLU 49 CO 0.00 -0.45 0.07 -0.44 -1.16 0.00 0.00 179.01 177.03 1pit h ASP 50 N -0.71 0.65 -0.25 1.42 3.32 -1.95 0.72 116.42 119.63 1pit h ASP 50 Ca -0.00 -0.26 0.06 0.00 0.02 0.00 0.00 57.03 56.85 1pit h ASP 50 Cb 0.68 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 1pit h ASP 50 CO -0.15 0.75 -0.30 0.00 -1.72 0.00 0.00 179.24 177.81 1pit h MET 52 N -0.31 0.60 -0.68 0.00 2.86 -0.63 0.21 114.93 116.98 1pit h MET 52 Ca 0.13 -0.13 0.17 0.00 -2.06 0.00 0.00 59.70 57.80 1pit h MET 52 Cb 0.52 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 1pit h MET 52 CO -0.42 0.62 0.47 -0.09 1.06 0.00 0.00 176.91 178.55 1pit h ARG 53 N 0.47 0.18 0.00 1.72 2.43 -0.32 0.35 114.38 119.21 1pit h ARG 53 Ca 0.12 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1pit h ARG 53 Cb 0.27 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1pit h ARG 53 CO -0.00 0.12 -0.20 1.15 -1.51 0.00 0.00 179.97 179.53 1pit h THR 54 N 0.19 0.25 -0.16 0.20 2.02 -0.18 -3.44 112.91 111.79 1pit h THR 54 Ca 0.33 -1.22 -0.19 0.00 0.77 0.00 0.00 66.41 66.11 1pit h THR 54 Cb 1.04 0.51 -0.31 0.00 -1.74 0.00 0.00 68.15 67.64 1pit h THR 54 CO -0.06 0.09 -0.92 0.00 0.37 0.00 0.00 175.52 175.00 1pit s GLY 56 N -2.80 1.76 -0.37 0.00 0.00 0.12 -4.84 107.32 101.20 1pit s GLY 56 Ca 0.35 -1.92 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 1pit s GLY 56 CO -0.10 1.53 0.93 -0.32 0.00 0.00 0.00 173.10 175.14 1pit s GLY 57 N 3.05 -1.53 0.00 0.20 0.00 -1.26 -4.88 107.32 102.89 1pit s GLY 57 Ca 0.14 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1pit s GLY 57 CO 0.10 4.10 0.00 0.00 0.00 0.00 0.00 173.10 177.30