#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 1.57 0.07 -0.14 0.04 -1.26 -5.00 135.00 130.29 1pit s PRO 2 Ca 0.00 0.54 -0.14 0.00 0.04 0.00 0.00 61.00 61.44 1pit s PRO 2 Cb 0.00 -1.87 -0.24 0.00 0.04 0.00 0.00 34.50 32.44 1pit s PRO 2 CO 0.00 -1.95 1.18 0.38 0.04 0.00 0.00 177.00 176.65 1pit h ASP 3 N -1.33 0.91 -0.09 6.66 2.03 -2.04 -3.26 116.42 119.30 1pit h ASP 3 Ca -0.49 -0.74 0.03 0.00 -0.73 0.00 0.00 57.03 55.09 1pit h ASP 3 Cb 1.29 -0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1pit h ASP 3 CO 0.59 1.53 0.08 2.19 -1.03 0.00 0.00 179.24 182.61 1pit h PHE 4 N 0.38 0.00 -0.06 4.15 -5.15 -2.00 -0.94 116.94 113.32 1pit h PHE 4 Ca -0.13 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.66 1pit h PHE 4 Cb 1.70 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.87 1pit h PHE 4 CO 0.11 0.00 0.17 0.00 -2.00 0.00 0.00 178.31 176.58 1pit n LEU 6 N -3.27 2.86 -4.77 0.00 4.32 -0.36 -4.24 117.00 111.54 1pit n LEU 6 Ca -0.01 -1.44 -0.34 0.00 -0.02 0.00 0.00 56.01 54.20 1pit n LEU 6 Cb 0.25 -0.39 0.02 0.00 -1.62 0.00 0.00 43.42 41.68 1pit n LEU 6 CO 0.20 0.57 0.77 -1.61 -1.22 0.00 0.00 177.39 176.11 1pit s GLU 7 N -1.59 3.08 0.60 3.23 0.41 0.78 -4.74 118.70 120.47 1pit s GLU 7 Ca 0.31 1.56 -0.15 0.00 -0.41 0.00 0.00 54.97 56.28 1pit s GLU 7 Cb 0.19 -1.97 -0.04 0.00 -1.78 0.00 0.00 34.13 30.53 1pit s GLU 7 CO 0.18 -1.06 1.05 -1.25 -0.49 0.00 0.00 175.26 173.68 1pit s PRO 8 N -3.60 3.35 -1.15 0.39 0.04 -1.26 -4.90 135.00 127.88 1pit s PRO 8 Ca 0.71 1.12 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 1pit s PRO 8 Cb -0.23 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1pit s PRO 8 CO 0.33 -0.77 1.76 -1.25 0.04 0.00 0.00 177.00 177.11 1pit s PRO 9 N -4.26 3.30 -0.07 0.56 0.04 -1.26 -4.96 135.00 128.35 1pit s PRO 9 Ca 0.62 -1.33 -0.26 0.00 0.04 0.00 0.00 61.00 60.06 1pit s PRO 9 Cb -0.15 -5.35 -0.03 0.00 0.04 0.00 0.00 34.50 29.01 1pit s PRO 9 CO 0.39 -2.87 0.82 -0.47 0.04 0.00 0.00 177.00 174.92 1pit s TYR 10 N 7.04 3.57 0.17 0.56 5.04 -1.26 -4.97 117.35 127.50 1pit s TYR 10 Ca 0.58 1.40 -0.05 0.00 -2.44 0.00 0.00 57.07 56.56 1pit s TYR 10 Cb 0.00 -2.95 0.05 0.00 0.35 0.00 0.00 41.96 39.41 1pit s TYR 10 CO 0.04 -0.02 1.46 1.15 -1.34 0.00 0.00 175.55 176.84 1pit h THR 11 N 4.87 1.32 0.00 4.34 2.02 -1.93 -3.44 112.91 120.09 1pit h THR 11 Ca -0.38 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 64.94 1pit h THR 11 Cb 1.19 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1pit h THR 11 CO 0.77 0.58 0.00 0.61 0.37 0.00 0.00 175.52 177.85 1pit n GLY 12 N 0.37 1.93 2.22 2.16 0.00 -1.26 0.09 105.19 110.70 1pit n GLY 12 Ca -0.04 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 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 1.78 1.91 -3.80 1.61 -0.04 -1.26 -4.77 135.00 130.44 1pit n PRO 13 Ca 0.00 -1.07 -0.13 0.00 -0.04 0.00 0.00 63.50 62.27 1pit n PRO 13 Cb 0.00 -2.10 -0.11 0.00 -0.04 0.00 0.00 33.50 31.26 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 2.34 3.75 -4.21 0.00 4.81 -1.26 -4.54 118.16 119.05 1pit n LYS 15 Ca -0.16 -3.87 -0.13 0.00 -0.87 0.00 0.00 58.31 53.28 1pit n LYS 15 Cb 0.57 -2.84 -0.10 0.00 0.02 0.00 0.00 35.03 32.69 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 -0.17 1.28 -0.33 3.14 0.00 -1.26 -5.05 121.76 119.37 1pit s ALA 16 Ca 0.38 -1.76 0.17 0.00 0.00 0.00 0.00 51.96 50.75 1pit s ALA 16 Cb 0.05 1.40 0.45 0.00 0.00 0.00 0.00 23.12 25.02 1pit s ALA 16 CO 0.02 -0.60 0.99 0.54 0.00 0.00 0.00 175.76 176.71 1pit n ARG 17 N -0.32 1.15 -2.35 0.00 3.00 -1.20 -3.83 116.66 113.10 1pit n ARG 17 Ca 0.03 -3.10 -0.43 0.00 -0.01 0.00 0.00 57.85 54.34 1pit n ARG 17 Cb 0.65 -1.12 -0.02 0.00 0.00 0.00 0.00 32.46 31.97 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 -2.77 4.02 0.04 0.55 1.01 0.19 -4.73 121.20 119.50 1pit s ILE 18 Ca 0.27 1.13 -0.30 0.00 0.00 0.00 0.00 60.65 61.75 1pit s ILE 18 Cb 0.45 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.76 1pit s ILE 18 CO 0.03 -0.48 1.85 -0.63 0.00 0.00 0.00 174.94 175.70 1pit s ILE 19 N 4.70 3.03 0.35 2.92 -1.09 -1.26 -0.10 121.20 129.75 1pit s ILE 19 Ca 0.60 0.21 0.03 0.00 -2.23 0.00 0.00 60.65 59.26 1pit s ILE 19 Cb -0.18 -3.13 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 1pit s ILE 19 CO 0.26 -0.01 0.13 -0.13 -1.23 0.00 0.00 174.94 173.95 1pit s ARG 20 N 3.83 1.73 0.22 2.79 1.81 0.24 -4.90 118.95 124.66 1pit s ARG 20 Ca 0.83 -2.01 0.04 0.00 -1.72 0.00 0.00 55.73 52.87 1pit s ARG 20 Cb -0.41 -0.45 -0.05 0.00 -0.45 0.00 0.00 34.95 33.58 1pit s ARG 20 CO 0.37 -0.40 -0.02 0.71 -0.68 0.00 0.00 175.30 175.28 1pit s TYR 21 N -3.40 1.53 -0.12 -0.53 1.51 0.12 -0.15 117.35 116.31 1pit s TYR 21 Ca 0.31 -0.90 -0.27 0.00 -1.01 0.00 0.00 57.07 55.21 1pit s TYR 21 Cb 0.05 -0.88 0.06 0.00 -0.11 0.00 0.00 41.96 41.09 1pit s TYR 21 CO 0.16 -0.02 0.65 -0.59 -1.11 0.00 0.00 175.55 174.64 1pit s PHE 22 N -3.40 -0.65 -0.12 2.71 -0.71 0.16 -0.53 117.98 115.45 1pit s PHE 22 Ca 0.27 1.32 -0.29 0.00 -1.04 0.00 0.00 56.93 57.18 1pit s PHE 22 Cb 0.05 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 1pit s PHE 22 CO 0.08 -0.50 1.66 -0.47 -1.34 0.00 0.00 175.22 174.66 1pit s TYR 23 N -0.62 1.99 -0.59 3.49 6.14 -1.26 -0.57 117.35 125.92 1pit s TYR 23 Ca -0.07 0.34 -0.19 0.00 0.64 0.00 0.00 57.07 57.78 1pit s TYR 23 Cb -0.02 -3.94 0.10 0.00 0.42 0.00 0.00 41.96 38.52 1pit s TYR 23 CO 0.06 -3.53 0.72 1.21 0.64 0.00 0.00 175.55 174.65 1pit s ASN 24 N 3.88 6.18 0.65 4.32 2.47 -0.10 -4.58 114.94 127.75 1pit s ASN 24 Ca 0.74 -1.38 0.28 0.00 0.42 0.00 0.00 52.86 52.91 1pit s ASN 24 Cb -0.30 -2.31 1.49 0.00 -1.45 0.00 0.00 41.25 38.67 1pit s ASN 24 CO 0.30 -1.13 1.85 0.00 -3.72 0.00 0.00 177.10 174.39 1pit h ALA 25 N 9.21 1.57 0.00 1.71 0.00 -1.84 0.41 119.26 130.33 1pit h ALA 25 Ca -0.29 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1pit h ALA 25 Cb 1.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1pit h ALA 25 CO 1.10 -0.47 -0.44 -0.22 0.00 0.00 0.00 179.25 179.22 1pit h LYS 26 N 0.00 0.00 0.00 0.00 3.11 -1.94 -3.29 116.57 114.45 1pit h LYS 26 Ca 0.05 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.75 1pit h LYS 26 Cb 0.88 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.08 1pit h LYS 26 CO -0.00 0.44 -1.74 0.00 -2.81 0.00 0.00 179.45 175.34 1pit n ALA 27 N -2.27 2.00 -1.40 5.00 0.00 -0.03 -5.03 120.51 118.78 1pit n ALA 27 Ca 0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 53.44 52.83 1pit n ALA 27 Cb 0.61 -0.17 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 2.07 0.38 3.47 0.00 0.00 0.13 -5.05 105.19 106.18 1pit n GLY 28 Ca -0.13 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.03 0.61 -0.21 0.99 0.20 -1.21 -4.97 118.68 114.06 1pit s LEU 29 Ca 0.00 -1.10 -0.19 0.00 0.69 0.00 0.00 54.13 53.52 1pit s LEU 29 Cb 0.00 1.34 -0.03 0.00 -0.43 0.00 0.00 46.19 47.07 1pit s LEU 29 CO 0.00 -1.06 0.57 0.00 -0.29 0.00 0.00 176.35 175.56 1pit s GLN 31 N 1.91 1.51 0.30 0.00 -0.21 0.27 -4.86 119.66 118.58 1pit s GLN 31 Ca 0.26 -1.75 -0.01 0.00 0.02 0.00 0.00 55.36 53.88 1pit s GLN 31 Cb -0.16 -1.15 -0.04 0.00 1.00 0.00 0.00 33.01 32.67 1pit s GLN 31 CO 0.10 0.07 0.51 0.95 -2.12 0.00 0.00 175.29 174.80 1pit s THR 32 N -3.00 5.11 0.27 -0.19 -4.23 -1.26 -0.66 115.64 111.68 1pit s THR 32 Ca 0.28 -0.35 -0.21 0.00 -1.18 0.00 0.00 61.69 60.23 1pit s THR 32 Cb 0.03 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1pit s THR 32 CO 0.11 -0.43 0.71 0.72 -0.54 0.00 0.00 174.62 175.19 1pit s PHE 33 N -2.18 -0.20 -0.15 3.99 -0.71 0.79 -4.89 117.98 114.63 1pit s PHE 33 Ca 0.40 -0.25 -0.16 0.00 -1.04 0.00 0.00 56.93 55.89 1pit s PHE 33 Cb -0.10 0.69 -0.04 0.00 -1.21 0.00 0.00 43.02 42.36 1pit s PHE 33 CO 0.33 -1.22 0.38 0.08 -1.34 0.00 0.00 175.22 173.46 1pit s VAL 34 N -3.91 5.24 0.01 -2.49 1.01 -1.26 -0.60 120.40 118.40 1pit s VAL 34 Ca 0.11 0.74 0.06 0.00 0.00 0.00 0.00 61.98 62.89 1pit s VAL 34 Cb -0.06 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1pit s VAL 34 CO 0.06 0.34 -0.18 -0.47 0.00 0.00 0.00 175.10 174.85 1pit s TYR 35 N 0.69 2.57 0.00 5.22 5.04 0.86 -4.51 117.35 127.22 1pit s TYR 35 Ca 0.21 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1pit s TYR 35 Cb -0.14 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.66 1pit s TYR 35 CO 0.07 0.21 0.00 0.41 -1.34 0.00 0.00 175.55 174.90 1pit n GLY 36 N 1.81 -1.17 0.00 8.97 0.00 0.11 0.53 105.19 115.44 1pit n GLY 36 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.94 2.67 1.76 -0.02 0.00 -1.24 -4.21 105.19 105.08 1pit n GLY 37 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.42 -3.79 -1.26 0.00 3.00 -1.26 -4.75 116.66 108.18 1pit n ARG 39 Ca 0.00 0.46 -0.35 0.00 -0.01 0.00 0.00 57.85 57.96 1pit n ARG 39 Cb 0.00 -4.77 0.11 0.00 0.00 0.00 0.00 32.46 27.80 1pit n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pit n ALA 40 N -4.38 0.12 -1.99 7.54 0.00 -1.26 -4.85 120.51 115.68 1pit n ALA 40 Ca -0.27 -0.25 -0.28 0.00 0.00 0.00 0.00 53.44 52.64 1pit n ALA 40 Cb 0.66 -2.23 0.04 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.83 2.87 0.14 0.00 -0.14 -1.26 -5.00 119.74 112.53 1pit s LYS 41 Ca 0.75 0.19 -0.12 0.00 -1.36 0.00 0.00 55.97 55.43 1pit s LYS 41 Cb -0.32 -2.16 -0.01 0.00 -1.68 0.00 0.00 37.83 33.66 1pit s LYS 41 CO 0.49 -0.86 1.54 0.00 -0.76 0.00 0.00 175.35 175.75 1pit h ARG 42 N -0.39 0.89 -2.98 1.68 3.08 -1.95 -3.31 114.38 111.40 1pit h ARG 42 Ca -0.45 -0.37 -0.66 0.00 0.07 0.00 0.00 59.98 58.56 1pit h ARG 42 Cb 1.26 -0.04 0.03 0.00 0.08 0.00 0.00 29.97 31.30 1pit h ARG 42 CO 0.62 1.02 3.78 -1.71 -1.07 0.00 0.00 179.97 182.61 1pit n ASN 43 N -4.21 8.73 -3.68 7.04 5.15 -1.26 -4.80 115.26 122.22 1pit n ASN 43 Ca -0.01 -2.58 -0.30 0.00 -0.60 0.00 0.00 54.58 51.10 1pit n ASN 43 Cb 0.42 -1.55 -0.15 0.00 -0.53 0.00 0.00 39.78 37.97 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 2.13 3.83 0.47 1.20 -0.87 -1.25 -4.33 114.94 116.14 1pit s ASN 44 Ca 0.70 -1.71 0.06 0.00 -1.57 0.00 0.00 52.86 50.34 1pit s ASN 44 Cb 0.18 -0.76 -0.00 0.00 -0.02 0.00 0.00 41.25 40.65 1pit s ASN 44 CO -0.06 -0.40 0.31 -0.36 -2.57 0.00 0.00 177.10 174.03 1pit s PHE 45 N 1.54 2.18 -0.46 2.20 0.08 0.32 -4.90 117.98 118.94 1pit s PHE 45 Ca 0.11 -0.69 0.08 0.00 0.12 0.00 0.00 56.93 56.55 1pit s PHE 45 Cb -0.18 -1.97 -0.07 0.00 -0.57 0.00 0.00 43.02 40.23 1pit s PHE 45 CO -0.23 -0.17 0.39 1.63 -0.10 0.00 0.00 175.22 176.74 1pit n LYS 46 N -1.54 3.93 -3.59 0.44 5.02 -1.26 -0.71 118.16 120.45 1pit n LYS 46 Ca -0.01 -0.12 -0.12 0.00 -2.02 0.00 0.00 58.31 56.04 1pit n LYS 46 Cb 0.64 -0.91 -0.05 0.00 -0.02 0.00 0.00 35.03 34.70 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 -1.63 -0.36 0.25 4.39 1.04 -1.26 -4.86 113.70 111.27 1pit s SER 47 Ca 0.04 -0.04 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 1pit s SER 47 Cb 0.06 0.49 0.28 0.00 0.10 0.00 0.00 66.02 66.95 1pit s SER 47 CO 0.30 -0.78 1.83 0.00 0.98 0.00 0.00 173.24 175.57 1pit h ALA 48 N 2.59 1.17 0.06 5.32 0.00 -1.95 -1.72 119.26 124.73 1pit h ALA 48 Ca -0.32 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1pit h ALA 48 Cb 1.24 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1pit h ALA 48 CO 0.43 0.61 -0.25 1.49 0.00 0.00 0.00 179.25 181.54 1pit h GLU 49 N 1.06 -0.40 -0.31 0.00 4.81 -1.98 0.11 114.58 117.87 1pit h GLU 49 Ca 0.25 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1pit h GLU 49 Cb 0.17 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1pit h GLU 49 CO -0.03 -0.27 0.03 0.22 -0.73 0.00 0.00 179.01 178.24 1pit h ASP 50 N -0.42 0.51 -0.44 1.04 3.58 -1.93 0.11 116.42 118.87 1pit h ASP 50 Ca 0.04 -0.28 0.08 0.00 0.42 0.00 0.00 57.03 57.29 1pit h ASP 50 Cb 0.47 -0.14 -0.10 0.00 1.72 0.00 0.00 39.33 41.29 1pit h ASP 50 CO -0.18 0.66 -0.38 0.00 -2.88 0.00 0.00 179.24 176.47 1pit h MET 52 N -0.27 -0.34 -0.96 0.00 2.86 -0.50 0.37 114.93 116.09 1pit h MET 52 Ca 0.17 0.02 0.22 0.00 -2.06 0.00 0.00 59.70 58.05 1pit h MET 52 Cb 0.56 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.18 1pit h MET 52 CO -0.58 -0.11 0.54 0.00 1.06 0.00 0.00 176.91 177.81 1pit h ARG 53 N -0.52 0.56 0.53 1.72 3.08 -0.43 0.78 114.38 120.11 1pit h ARG 53 Ca -0.04 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1pit h ARG 53 Cb 0.38 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.31 1pit h ARG 53 CO 0.06 0.37 -0.26 1.15 -1.07 0.00 0.00 179.97 180.22 1pit h THR 54 N 0.58 0.33 0.00 2.04 2.02 -0.58 -3.43 112.91 113.87 1pit h THR 54 Ca 0.60 -0.38 -0.18 0.00 0.77 0.00 0.00 66.41 67.22 1pit h THR 54 Cb 1.07 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1pit h THR 54 CO -0.46 0.05 -1.58 0.00 0.37 0.00 0.00 175.52 173.89 1pit n GLY 56 N 1.38 1.20 0.00 0.00 0.00 0.26 -4.52 105.19 103.51 1pit n GLY 56 Ca -0.30 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 5.59 1.59 0.00 -0.02 0.00 -1.26 -4.39 105.19 106.70 1pit n GLY 57 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32