#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 2.12 0.05 -0.14 0.04 -1.26 -5.02 135.00 130.80 1pit s PRO 2 Ca 0.00 0.26 -0.14 0.00 0.04 0.00 0.00 61.00 61.16 1pit s PRO 2 Cb 0.00 -1.96 -0.31 0.00 0.04 0.00 0.00 34.50 32.28 1pit s PRO 2 CO 0.00 -1.51 1.08 0.38 0.04 0.00 0.00 177.00 176.98 1pit h ASP 3 N -1.00 0.83 -0.29 6.66 2.03 -2.04 -3.31 116.42 119.29 1pit h ASP 3 Ca -0.46 -0.81 0.08 0.00 -0.73 0.00 0.00 57.03 55.11 1pit h ASP 3 Cb 1.31 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 39.53 1pit h ASP 3 CO 0.65 1.62 0.22 2.19 -1.03 0.00 0.00 179.24 182.89 1pit h PHE 4 N 0.22 0.00 -0.00 4.15 -5.15 -1.99 -0.12 116.94 114.04 1pit h PHE 4 Ca -0.21 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.56 1pit h PHE 4 Cb 2.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.17 1pit h PHE 4 CO 0.11 0.00 0.17 0.00 -2.00 0.00 0.00 178.31 176.59 1pit n LEU 6 N -2.99 2.53 -4.80 0.00 4.32 -0.06 -4.20 117.00 111.80 1pit n LEU 6 Ca -0.02 -1.27 -0.34 0.00 -0.02 0.00 0.00 56.01 54.35 1pit n LEU 6 Cb 0.23 -0.37 -0.05 0.00 -1.62 0.00 0.00 43.42 41.61 1pit n LEU 6 CO 0.17 0.49 0.70 -1.61 -1.22 0.00 0.00 177.39 175.92 1pit s GLU 7 N -1.63 4.02 0.67 3.23 0.41 0.72 -4.86 118.70 121.25 1pit s GLU 7 Ca 0.27 1.33 -0.13 0.00 -0.41 0.00 0.00 54.97 56.02 1pit s GLU 7 Cb 0.16 -2.24 -0.00 0.00 -1.78 0.00 0.00 34.13 30.27 1pit s GLU 7 CO 0.14 -0.24 1.08 -1.25 -0.49 0.00 0.00 175.26 174.50 1pit s PRO 8 N -3.02 2.91 -0.75 0.39 0.04 -1.26 -4.89 135.00 128.43 1pit s PRO 8 Ca 0.63 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.60 1pit s PRO 8 Cb -0.16 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1pit s PRO 8 CO 0.20 -1.14 1.87 -1.25 0.04 0.00 0.00 177.00 176.72 1pit s PRO 9 N -4.45 2.64 -0.26 0.56 0.04 -1.26 -4.96 135.00 127.31 1pit s PRO 9 Ca 0.63 0.17 -0.26 0.00 0.04 0.00 0.00 61.00 61.57 1pit s PRO 9 Cb -0.17 -4.68 0.00 0.00 0.04 0.00 0.00 34.50 29.69 1pit s PRO 9 CO 0.46 -2.97 0.92 -0.47 0.04 0.00 0.00 177.00 174.98 1pit s TYR 10 N 9.28 3.27 -0.07 0.56 6.14 -1.26 -4.94 117.35 130.32 1pit s TYR 10 Ca 0.67 1.18 -0.10 0.00 0.64 0.00 0.00 57.07 59.45 1pit s TYR 10 Cb -0.10 -3.24 -0.29 0.00 0.42 0.00 0.00 41.96 38.75 1pit s TYR 10 CO 0.11 -0.51 0.57 1.15 0.64 0.00 0.00 175.55 177.51 1pit h THR 11 N 5.51 0.85 0.00 4.34 2.02 -1.93 -3.44 112.91 120.27 1pit h THR 11 Ca -0.22 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 64.51 1pit h THR 11 Cb 1.08 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 1pit h THR 11 CO 0.93 0.86 0.00 0.61 0.37 0.00 0.00 175.52 178.29 1pit n GLY 12 N 1.90 -2.46 0.00 2.16 0.00 -1.26 -2.21 105.19 103.32 1pit n GLY 12 Ca -0.27 -1.79 0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.18 0.74 -2.52 1.61 -0.04 -1.26 -4.80 135.00 128.55 1pit n PRO 13 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1pit n PRO 13 Cb 0.00 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.49 0.40 -0.74 0.00 4.81 -1.26 -4.55 118.16 117.31 1pit n LYS 15 Ca 0.02 -0.08 -0.29 0.00 -0.87 0.00 0.00 58.31 57.09 1pit n LYS 15 Cb 0.47 -1.48 0.20 0.00 0.02 0.00 0.00 35.03 34.25 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pit s ALA 16 N -3.14 0.47 -0.47 3.14 0.00 -1.25 -5.00 121.76 115.51 1pit s ALA 16 Ca 0.02 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.12 1pit s ALA 16 Cb 0.15 -3.28 0.30 0.00 0.00 0.00 0.00 23.12 20.28 1pit s ALA 16 CO 0.85 -3.24 0.71 0.54 0.00 0.00 0.00 175.76 174.63 1pit n ARG 17 N -4.52 1.65 -2.53 0.00 1.74 -1.25 -3.97 116.66 107.79 1pit n ARG 17 Ca 0.06 -3.88 -0.43 0.00 -0.77 0.00 0.00 57.85 52.83 1pit n ARG 17 Cb 0.54 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 1pit n ARG 17 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pit s ILE 18 N -2.47 4.36 -0.01 0.55 1.01 0.12 -4.79 121.20 119.98 1pit s ILE 18 Ca 0.40 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 62.34 1pit s ILE 18 Cb 0.24 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 1pit s ILE 18 CO -0.09 -0.37 1.60 -0.63 0.00 0.00 0.00 174.94 175.45 1pit s ILE 19 N 3.80 3.48 0.34 2.92 -1.09 -1.26 -0.35 121.20 129.04 1pit s ILE 19 Ca 0.51 0.74 0.05 0.00 -2.23 0.00 0.00 60.65 59.72 1pit s ILE 19 Cb -0.16 -3.48 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1pit s ILE 19 CO 0.17 -0.04 0.19 0.54 -1.23 0.00 0.00 174.94 174.57 1pit n ARG 20 N 6.37 0.50 -4.09 2.79 5.12 0.36 -4.91 116.66 122.80 1pit n ARG 20 Ca 0.16 -3.11 -0.08 0.00 -1.93 0.00 0.00 57.85 52.88 1pit n ARG 20 Cb 0.42 2.06 -0.10 0.00 -1.16 0.00 0.00 32.46 33.69 1pit n ARG 20 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1pit s TYR 21 N -3.08 0.63 -0.03 -1.55 1.51 -0.84 -0.22 117.35 113.77 1pit s TYR 21 Ca 0.27 -1.08 -0.29 0.00 -1.01 0.00 0.00 57.07 54.95 1pit s TYR 21 Cb 0.01 -0.38 0.07 0.00 -0.11 0.00 0.00 41.96 41.55 1pit s TYR 21 CO 0.19 -0.48 0.65 -0.59 -1.11 0.00 0.00 175.55 174.21 1pit s PHE 22 N -3.97 -0.62 -0.43 2.71 -0.71 -0.38 -0.74 117.98 113.83 1pit s PHE 22 Ca 0.15 1.01 -0.29 0.00 -1.04 0.00 0.00 56.93 56.76 1pit s PHE 22 Cb 0.07 0.41 0.02 0.00 -1.21 0.00 0.00 43.02 42.31 1pit s PHE 22 CO -0.04 -0.62 1.18 -0.47 -1.34 0.00 0.00 175.22 173.93 1pit s TYR 23 N -1.45 2.80 -0.83 3.49 6.14 -1.26 -1.03 117.35 125.21 1pit s TYR 23 Ca -0.10 0.80 -0.22 0.00 0.64 0.00 0.00 57.07 58.19 1pit s TYR 23 Cb -0.00 -4.27 0.09 0.00 0.42 0.00 0.00 41.96 38.20 1pit s TYR 23 CO 0.07 -1.33 1.13 1.21 0.64 0.00 0.00 175.55 177.28 1pit s ASN 24 N 2.58 6.40 0.30 4.32 3.84 0.39 -4.54 114.94 128.23 1pit s ASN 24 Ca 0.50 -1.42 0.14 0.00 0.21 0.00 0.00 52.86 52.29 1pit s ASN 24 Cb -0.09 -2.45 0.78 0.00 -0.55 0.00 0.00 41.25 38.93 1pit s ASN 24 CO 0.29 -1.34 1.35 0.00 -2.79 0.00 0.00 177.10 174.61 1pit n ALA 25 N 7.60 0.73 0.15 1.71 0.00 -1.26 0.06 120.51 129.50 1pit n ALA 25 Ca 0.13 0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.74 1pit n ALA 25 Cb 0.48 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 19.07 1pit n ALA 25 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1pit h LYS 26 N 0.00 0.00 0.00 0.00 3.11 -1.93 -3.30 116.57 114.46 1pit h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1pit h LYS 26 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 1pit h LYS 26 CO 0.00 0.43 -1.47 0.00 -2.81 0.00 0.00 179.45 175.60 1pit n ALA 27 N -2.21 2.70 -1.93 5.00 0.00 0.24 -5.02 120.51 119.30 1pit n ALA 27 Ca 0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1pit n ALA 27 Cb 0.71 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 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 1.66 0.29 3.41 0.00 0.00 0.11 -5.01 105.19 105.64 1pit n GLY 28 Ca -0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.46 0.64 -0.16 0.99 0.20 -1.20 -4.99 118.68 111.71 1pit s LEU 29 Ca 0.00 -0.74 -0.20 0.00 0.69 0.00 0.00 54.13 53.88 1pit s LEU 29 Cb 0.00 1.53 -0.03 0.00 -0.43 0.00 0.00 46.19 47.26 1pit s LEU 29 CO 0.00 -0.96 0.57 0.00 -0.29 0.00 0.00 176.35 175.68 1pit s GLN 31 N 1.33 1.76 0.32 0.00 -0.21 -0.20 -4.90 119.66 117.76 1pit s GLN 31 Ca 0.28 -1.95 -0.01 0.00 0.02 0.00 0.00 55.36 53.70 1pit s GLN 31 Cb -0.16 -1.34 -0.04 0.00 1.00 0.00 0.00 33.01 32.47 1pit s GLN 31 CO 0.11 -0.03 0.54 0.95 -2.12 0.00 0.00 175.29 174.74 1pit s THR 32 N -2.91 5.09 0.22 -0.19 -4.23 -1.26 -1.25 115.64 111.10 1pit s THR 32 Ca 0.34 -0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 60.33 1pit s THR 32 Cb 0.07 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 70.14 1pit s THR 32 CO 0.16 -0.45 0.73 0.72 -0.54 0.00 0.00 174.62 175.23 1pit s PHE 33 N -2.21 -0.28 -0.33 3.99 -0.71 0.70 -4.91 117.98 114.23 1pit s PHE 33 Ca 0.41 -0.08 -0.17 0.00 -1.04 0.00 0.00 56.93 56.05 1pit s PHE 33 Cb -0.10 0.65 -0.01 0.00 -1.21 0.00 0.00 43.02 42.35 1pit s PHE 33 CO 0.34 -1.05 0.44 0.08 -1.34 0.00 0.00 175.22 173.69 1pit s VAL 34 N -3.75 5.09 -0.01 -2.49 1.01 -1.26 -0.49 120.40 118.50 1pit s VAL 34 Ca 0.08 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 1pit s VAL 34 Cb -0.04 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1pit s VAL 34 CO 0.01 -0.11 0.20 -0.47 0.00 0.00 0.00 175.10 174.73 1pit s TYR 35 N 2.22 3.56 0.00 5.22 5.04 0.53 -4.76 117.35 129.16 1pit s TYR 35 Ca 0.16 0.42 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 1pit s TYR 35 Cb -0.16 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.27 1pit s TYR 35 CO 0.12 0.64 0.24 0.41 -1.34 0.00 0.00 175.55 175.63 1pit n GLY 36 N 1.05 -2.54 0.00 8.97 0.00 -0.94 0.16 105.19 111.88 1pit n GLY 36 Ca -0.11 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.29 0.00 3.64 -0.02 0.00 -1.25 -3.76 105.19 103.51 1pit n GLY 37 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 2.54 -6.18 -1.75 0.00 5.12 -1.26 -4.74 116.66 110.40 1pit n ARG 39 Ca -0.14 0.78 -0.40 0.00 -1.93 0.00 0.00 57.85 56.16 1pit n ARG 39 Cb 0.57 -5.59 0.02 0.00 -1.16 0.00 0.00 32.46 26.30 1pit n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pit n ALA 40 N -3.95 1.79 -1.95 7.54 0.00 -1.26 -4.97 120.51 117.72 1pit n ALA 40 Ca -0.24 0.23 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1pit n ALA 40 Cb 0.65 -2.36 0.16 0.00 0.00 0.00 0.00 19.45 17.90 1pit n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pit s LYS 41 N -2.48 0.98 0.12 0.00 -0.14 -1.26 -5.01 119.74 111.95 1pit s LYS 41 Ca 0.63 -0.62 -0.10 0.00 -1.36 0.00 0.00 55.97 54.52 1pit s LYS 41 Cb -0.45 -2.00 -0.10 0.00 -1.68 0.00 0.00 37.83 33.60 1pit s LYS 41 CO 0.56 -2.10 1.34 0.00 -0.76 0.00 0.00 175.35 174.39 1pit h ARG 42 N -1.29 0.71 -4.57 1.68 3.08 -1.95 -3.35 114.38 108.68 1pit h ARG 42 Ca -0.42 -0.57 -0.68 0.00 0.07 0.00 0.00 59.98 58.38 1pit h ARG 42 Cb 1.25 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.38 1pit h ARG 42 CO 0.39 1.19 2.70 -1.71 -1.07 0.00 0.00 179.97 181.47 1pit n ASN 43 N -3.91 3.88 -3.35 7.04 5.15 -1.26 -4.77 115.26 118.04 1pit n ASN 43 Ca -0.07 -2.83 -0.07 0.00 -0.60 0.00 0.00 54.58 51.02 1pit n ASN 43 Cb 0.74 -1.61 -0.07 0.00 -0.53 0.00 0.00 39.78 38.31 1pit n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1pit s ASN 44 N 3.86 -0.05 0.49 1.20 3.84 -1.25 -4.63 114.94 118.39 1pit s ASN 44 Ca 0.51 0.39 0.05 0.00 0.21 0.00 0.00 52.86 54.02 1pit s ASN 44 Cb 0.11 1.30 -0.01 0.00 -0.55 0.00 0.00 41.25 42.09 1pit s ASN 44 CO -0.01 -0.29 0.18 -0.36 -2.79 0.00 0.00 177.10 173.84 1pit s PHE 45 N 2.60 2.06 -0.72 0.43 0.08 0.08 -4.93 117.98 117.58 1pit s PHE 45 Ca 0.13 -0.79 0.16 0.00 0.12 0.00 0.00 56.93 56.55 1pit s PHE 45 Cb -0.15 -1.82 -0.19 0.00 -0.57 0.00 0.00 43.02 40.29 1pit s PHE 45 CO -0.16 0.01 0.68 1.63 -0.10 0.00 0.00 175.22 177.27 1pit n LYS 46 N -1.40 1.44 -3.61 0.44 5.02 -1.26 -1.99 118.16 116.81 1pit n LYS 46 Ca -0.07 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.12 1pit n LYS 46 Cb 0.65 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.35 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 -2.68 -0.38 0.48 4.39 1.04 -1.26 -4.88 113.70 110.42 1pit s SER 47 Ca 0.05 -0.22 0.14 0.00 0.48 0.00 0.00 55.95 56.40 1pit s SER 47 Cb 0.12 0.56 1.13 0.00 0.10 0.00 0.00 66.02 67.94 1pit s SER 47 CO 0.68 -0.97 2.09 0.00 0.98 0.00 0.00 173.24 176.02 1pit h ALA 48 N 2.00 1.87 0.28 5.32 0.00 -1.92 -1.76 119.26 125.04 1pit h ALA 48 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1pit h ALA 48 Cb 1.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1pit h ALA 48 CO 0.30 0.10 -0.45 1.49 0.00 0.00 0.00 179.25 180.70 1pit h GLU 49 N 0.08 -0.76 0.04 0.00 4.81 -1.98 0.13 114.58 116.89 1pit h GLU 49 Ca 0.02 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1pit h GLU 49 Cb 0.08 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1pit h GLU 49 CO 0.00 -0.51 -0.02 -0.44 -0.73 0.00 0.00 179.01 177.32 1pit h ASP 50 N -0.79 -0.04 -0.59 1.04 3.32 -1.91 -0.09 116.42 117.36 1pit h ASP 50 Ca -0.01 -0.06 0.12 0.00 0.02 0.00 0.00 57.03 57.09 1pit h ASP 50 Cb 0.75 0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.19 1pit h ASP 50 CO -0.16 0.03 -0.16 0.00 -1.72 0.00 0.00 179.24 177.24 1pit h MET 52 N -0.01 -0.38 -0.50 0.00 2.86 -0.57 0.42 114.93 116.75 1pit h MET 52 Ca 0.28 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.98 1pit h MET 52 Cb 0.44 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 1pit h MET 52 CO -0.62 -0.18 0.33 -0.09 1.06 0.00 0.00 176.91 177.41 1pit h ARG 53 N -0.50 0.53 0.46 1.72 1.12 0.06 0.14 114.38 117.91 1pit h ARG 53 Ca -0.04 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.78 1pit h ARG 53 Cb 0.37 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 1pit h ARG 53 CO 0.07 0.35 -0.22 1.15 -3.11 0.00 0.00 179.97 178.21 1pit h THR 54 N 0.55 0.00 0.00 0.20 2.02 -0.65 -3.45 112.91 111.58 1pit h THR 54 Ca 0.20 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1pit h THR 54 Cb 0.12 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1pit h THR 54 CO -0.05 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.68 1pit n GLY 56 N 1.53 1.63 1.88 0.00 0.00 0.46 -4.65 105.19 106.04 1pit n GLY 56 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1pit n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pit n GLY 57 N 0.00 0.60 0.00 -0.02 0.00 -1.26 -4.98 105.19 99.53 1pit n GLY 57 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32