#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 2.82 0.29 2.89 0.04 -1.26 -5.00 135.00 134.79 1pit s PRO 2 Ca 0.00 0.26 0.10 0.00 0.04 0.00 0.00 61.00 61.40 1pit s PRO 2 Cb 0.00 -2.11 0.44 0.00 0.04 0.00 0.00 34.50 32.87 1pit s PRO 2 CO 0.00 -0.95 1.67 -0.44 0.04 0.00 0.00 177.00 177.32 1pit h ASP 3 N -0.50 0.07 0.55 6.66 3.32 -2.04 -3.11 116.42 121.36 1pit h ASP 3 Ca -0.45 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1pit h ASP 3 Cb 1.26 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1pit h ASP 3 CO 0.63 0.59 0.00 2.19 -1.72 0.00 0.00 179.24 180.92 1pit h PHE 4 N 0.05 0.00 -0.52 4.55 -5.15 -2.00 -0.88 116.94 112.98 1pit h PHE 4 Ca -0.00 0.00 0.15 0.00 -0.20 0.00 0.00 57.97 57.92 1pit h PHE 4 Cb 0.95 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.10 1pit h PHE 4 CO 0.00 0.00 0.50 0.00 -2.00 0.00 0.00 178.31 176.82 1pit n LEU 6 N -3.83 2.96 -4.72 0.00 4.32 -0.34 -4.19 117.00 111.21 1pit n LEU 6 Ca 0.10 -1.48 -0.43 0.00 -0.02 0.00 0.00 56.01 54.18 1pit n LEU 6 Cb 0.71 -0.38 -0.03 0.00 -1.62 0.00 0.00 43.42 42.11 1pit n LEU 6 CO 0.30 0.70 1.29 -0.62 -1.22 0.00 0.00 177.39 177.84 1pit n GLU 7 N 1.03 2.63 -1.40 3.23 1.02 0.46 -4.81 120.64 122.80 1pit n GLU 7 Ca 0.18 0.94 -0.30 0.00 -0.02 0.00 0.00 57.16 57.96 1pit n GLU 7 Cb 0.48 -2.75 0.09 0.00 -0.02 0.00 0.00 31.44 29.24 1pit n GLU 7 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1pit s PRO 8 N 0.47 2.17 -0.65 3.49 0.04 -1.26 -4.85 135.00 134.42 1pit s PRO 8 Ca 0.71 0.91 -0.27 0.00 0.04 0.00 0.00 61.00 62.39 1pit s PRO 8 Cb -0.53 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1pit s PRO 8 CO 0.39 -1.63 1.71 -1.25 0.04 0.00 0.00 177.00 176.27 1pit s PRO 9 N -5.01 2.77 -0.48 0.56 0.04 -1.26 -4.96 135.00 126.66 1pit s PRO 9 Ca 0.61 0.39 -0.27 0.00 0.04 0.00 0.00 61.00 61.77 1pit s PRO 9 Cb -0.16 -4.34 0.03 0.00 0.04 0.00 0.00 34.50 30.07 1pit s PRO 9 CO 0.56 -2.59 1.02 -0.47 0.04 0.00 0.00 177.00 175.55 1pit s TYR 10 N 8.24 2.85 0.04 0.56 5.04 -1.26 -4.90 117.35 127.92 1pit s TYR 10 Ca 0.59 0.47 -0.18 0.00 -2.44 0.00 0.00 57.07 55.52 1pit s TYR 10 Cb -0.11 -4.19 -0.20 0.00 0.35 0.00 0.00 41.96 37.81 1pit s TYR 10 CO 0.19 -1.22 1.19 1.15 -1.34 0.00 0.00 175.55 175.53 1pit h THR 11 N 6.14 1.37 -1.35 4.34 2.02 -1.93 -3.43 112.91 120.06 1pit h THR 11 Ca -0.24 -1.96 0.14 0.00 0.77 0.00 0.00 66.41 65.13 1pit h THR 11 Cb 1.07 2.32 -0.04 0.00 -1.74 0.00 0.00 68.15 69.76 1pit h THR 11 CO 1.08 0.59 -0.19 0.61 0.37 0.00 0.00 175.52 177.97 1pit n GLY 12 N 0.85 -2.01 0.00 2.16 0.00 -1.26 -0.61 105.19 104.33 1pit n GLY 12 Ca -0.09 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.17 0.00 0.00 1.61 -0.04 -1.26 -4.66 135.00 128.48 1pit n PRO 13 Ca 0.00 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1pit n PRO 13 Cb 0.24 -0.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.00 1.02 -3.84 0.00 5.02 -1.26 -5.06 118.16 114.03 1pit n LYS 15 Ca 0.00 -2.53 -0.06 0.00 -2.02 0.00 0.00 58.31 53.69 1pit n LYS 15 Cb 0.00 -1.23 0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pit s ALA 16 N -0.92 -1.09 -0.03 7.82 0.00 -1.22 -5.07 121.76 121.26 1pit s ALA 16 Ca 0.29 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.63 1pit s ALA 16 Cb 0.33 0.71 0.03 0.00 0.00 0.00 0.00 23.12 24.19 1pit s ALA 16 CO -0.06 -1.02 0.03 1.03 0.00 0.00 0.00 175.76 175.74 1pit s ARG 17 N -2.13 0.12 -0.07 0.00 3.00 -1.23 -4.41 118.95 114.24 1pit s ARG 17 Ca 0.19 0.19 -0.01 0.00 0.00 0.00 0.00 55.73 56.10 1pit s ARG 17 Cb -0.04 -0.45 0.03 0.00 0.00 0.00 0.00 34.95 34.48 1pit s ARG 17 CO 0.09 -0.21 -0.01 0.42 0.00 0.00 0.00 175.30 175.59 1pit s ILE 18 N 1.41 0.43 -0.07 1.52 1.01 0.67 -4.91 121.20 121.25 1pit s ILE 18 Ca -0.05 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 1pit s ILE 18 Cb -0.13 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 1pit s ILE 18 CO -0.03 0.25 1.58 -0.63 0.00 0.00 0.00 174.94 176.12 1pit s ILE 19 N 1.71 3.71 0.39 2.92 -1.09 -1.26 0.04 121.20 127.62 1pit s ILE 19 Ca 0.01 0.86 0.04 0.00 -2.23 0.00 0.00 60.65 59.33 1pit s ILE 19 Cb -0.13 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 1pit s ILE 19 CO -0.04 -0.08 0.12 -0.13 -1.23 0.00 0.00 174.94 173.59 1pit s ARG 20 N 3.93 1.87 0.22 2.79 1.81 0.42 -4.93 118.95 125.07 1pit s ARG 20 Ca 0.70 -2.13 0.03 0.00 -1.72 0.00 0.00 55.73 52.61 1pit s ARG 20 Cb -0.31 -0.60 -0.05 0.00 -0.45 0.00 0.00 34.95 33.54 1pit s ARG 20 CO 0.27 -0.45 0.01 0.71 -0.68 0.00 0.00 175.30 175.16 1pit s TYR 21 N -3.25 1.46 -0.10 -0.53 1.51 0.10 -0.19 117.35 116.34 1pit s TYR 21 Ca 0.26 -0.98 -0.25 0.00 -1.01 0.00 0.00 57.07 55.10 1pit s TYR 21 Cb 0.03 -0.84 0.06 0.00 -0.11 0.00 0.00 41.96 41.10 1pit s TYR 21 CO 0.15 -0.12 0.59 -0.59 -1.11 0.00 0.00 175.55 174.47 1pit s PHE 22 N -3.52 -0.58 -0.06 2.71 -0.71 0.15 -0.67 117.98 115.31 1pit s PHE 22 Ca 0.28 1.15 -0.30 0.00 -1.04 0.00 0.00 56.93 57.02 1pit s PHE 22 Cb 0.06 0.29 -0.06 0.00 -1.21 0.00 0.00 43.02 42.10 1pit s PHE 22 CO 0.08 -0.48 1.73 -0.47 -1.34 0.00 0.00 175.22 174.75 1pit s TYR 23 N -0.71 1.82 -0.69 3.49 6.14 -1.26 -0.59 117.35 125.55 1pit s TYR 23 Ca -0.08 0.10 -0.17 0.00 0.64 0.00 0.00 57.07 57.57 1pit s TYR 23 Cb -0.02 -3.99 0.15 0.00 0.42 0.00 0.00 41.96 38.52 1pit s TYR 23 CO 0.06 -4.13 0.71 1.21 0.64 0.00 0.00 175.55 174.04 1pit s ASN 24 N 3.81 6.42 0.65 4.32 2.47 -0.05 -4.64 114.94 127.92 1pit s ASN 24 Ca 0.77 -2.00 0.25 0.00 0.42 0.00 0.00 52.86 52.30 1pit s ASN 24 Cb -0.34 -2.26 1.33 0.00 -1.45 0.00 0.00 41.25 38.53 1pit s ASN 24 CO 0.32 -0.87 1.75 0.00 -3.72 0.00 0.00 177.10 174.59 1pit h ALA 25 N 8.62 1.60 0.00 1.71 0.00 -1.84 0.39 119.26 129.74 1pit h ALA 25 Ca -0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1pit h ALA 25 Cb 1.07 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1pit h ALA 25 CO 0.97 -0.53 -0.16 -0.22 0.00 0.00 0.00 179.25 179.32 1pit h LYS 26 N 0.00 0.00 0.00 0.00 3.64 -1.94 -3.30 116.57 114.98 1pit h LYS 26 Ca 0.04 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 1pit h LYS 26 Cb 1.01 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1pit h LYS 26 CO -0.00 0.16 -1.44 0.00 -2.27 0.00 0.00 179.45 175.90 1pit n ALA 27 N -2.16 1.99 -0.82 5.00 0.00 0.02 -5.04 120.51 119.50 1pit n ALA 27 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1pit n ALA 27 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 2.39 0.53 3.19 0.00 0.00 0.12 -5.05 105.19 106.36 1pit n GLY 28 Ca -0.08 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 1.58 -0.17 0.99 0.20 -1.22 -4.95 118.68 115.11 1pit s LEU 29 Ca 0.00 -1.18 -0.26 0.00 0.69 0.00 0.00 54.13 53.38 1pit s LEU 29 Cb 0.00 0.45 -0.01 0.00 -0.43 0.00 0.00 46.19 46.19 1pit s LEU 29 CO 0.00 -0.77 0.88 0.00 -0.29 0.00 0.00 176.35 176.17 1pit s GLN 31 N 2.23 1.54 0.23 0.00 -0.21 0.24 -4.86 119.66 118.83 1pit s GLN 31 Ca 0.40 -1.76 -0.01 0.00 0.02 0.00 0.00 55.36 54.02 1pit s GLN 31 Cb -0.17 -1.25 -0.04 0.00 1.00 0.00 0.00 33.01 32.56 1pit s GLN 31 CO 0.13 0.10 0.42 0.95 -2.12 0.00 0.00 175.29 174.76 1pit s THR 32 N -2.93 5.18 0.14 -0.19 -4.23 -1.26 -0.67 115.64 111.68 1pit s THR 32 Ca 0.28 -0.38 -0.24 0.00 -1.18 0.00 0.00 61.69 60.18 1pit s THR 32 Cb 0.02 -3.75 0.07 0.00 1.34 0.00 0.00 72.50 70.18 1pit s THR 32 CO 0.12 -0.23 0.68 0.72 -0.54 0.00 0.00 174.62 175.36 1pit s PHE 33 N -1.94 -0.46 0.16 3.99 -0.71 0.74 -4.92 117.98 114.85 1pit s PHE 33 Ca 0.39 0.23 -0.28 0.00 -1.04 0.00 0.00 56.93 56.23 1pit s PHE 33 Cb -0.11 0.57 -0.08 0.00 -1.21 0.00 0.00 43.02 42.20 1pit s PHE 33 CO 0.30 -0.83 0.87 0.08 -1.34 0.00 0.00 175.22 174.30 1pit s VAL 34 N -3.64 4.34 0.06 -2.49 1.01 -1.26 -0.43 120.40 117.99 1pit s VAL 34 Ca 0.03 1.91 0.09 0.00 0.00 0.00 0.00 61.98 64.01 1pit s VAL 34 Cb -0.02 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1pit s VAL 34 CO -0.10 0.45 -0.25 -0.47 0.00 0.00 0.00 175.10 174.73 1pit s TYR 35 N -0.77 2.18 0.01 5.22 5.04 0.11 -4.56 117.35 124.58 1pit s TYR 35 Ca 0.40 -0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 54.59 1pit s TYR 35 Cb -0.24 -1.28 -0.02 0.00 0.35 0.00 0.00 41.96 40.77 1pit s TYR 35 CO 0.29 0.16 1.07 0.78 -1.34 0.00 0.00 175.55 176.51 1pit h GLY 36 N 4.60 -0.47 0.00 8.97 0.00 -1.07 0.19 103.07 115.29 1pit h GLY 36 Ca -0.46 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1pit h GLY 36 CO 0.43 -0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.40 1pit n GLY 37 N -1.08 0.63 0.00 4.60 0.00 -1.26 -3.39 105.19 104.69 1pit n GLY 37 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.11 -6.06 -1.77 0.00 5.12 -1.26 -4.90 116.66 107.68 1pit n ARG 39 Ca 0.00 0.66 -0.39 0.00 -1.93 0.00 0.00 57.85 56.19 1pit n ARG 39 Cb 0.00 -5.56 0.03 0.00 -1.16 0.00 0.00 32.46 25.77 1pit n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pit s ALA 40 N -3.35 3.01 0.88 7.54 0.00 -1.26 -5.01 121.76 123.57 1pit s ALA 40 Ca 0.56 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.83 1pit s ALA 40 Cb -0.27 -3.59 0.17 0.00 0.00 0.00 0.00 23.12 19.43 1pit s ALA 40 CO 0.80 -1.32 1.21 0.15 0.00 0.00 0.00 175.76 176.60 1pit s LYS 41 N -2.71 1.04 -0.00 0.00 -0.14 -1.26 -5.02 119.74 111.65 1pit s LYS 41 Ca 0.67 -0.62 -0.23 0.00 -1.36 0.00 0.00 55.97 54.43 1pit s LYS 41 Cb -0.42 -2.01 -0.19 0.00 -1.68 0.00 0.00 37.83 33.53 1pit s LYS 41 CO 0.52 -2.06 1.24 0.00 -0.76 0.00 0.00 175.35 174.29 1pit h ARG 42 N -1.25 0.19 -4.32 1.68 3.08 -1.95 -3.35 114.38 108.46 1pit h ARG 42 Ca -0.42 -0.12 -0.65 0.00 0.07 0.00 0.00 59.98 58.87 1pit h ARG 42 Cb 1.25 0.01 0.03 0.00 0.08 0.00 0.00 29.97 31.35 1pit h ARG 42 CO 0.40 0.69 2.47 -1.71 -1.07 0.00 0.00 179.97 180.75 1pit n ASN 43 N -4.65 2.93 -3.53 7.04 5.15 -1.26 -4.78 115.26 116.15 1pit n ASN 43 Ca -0.08 -2.68 -0.22 0.00 -0.60 0.00 0.00 54.58 51.00 1pit n ASN 43 Cb 0.35 -1.20 -0.14 0.00 -0.53 0.00 0.00 39.78 38.26 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 4.59 1.99 0.47 1.20 3.84 -1.26 -4.55 114.94 121.22 1pit s ASN 44 Ca 0.55 -0.52 0.04 0.00 0.21 0.00 0.00 52.86 53.13 1pit s ASN 44 Cb 0.14 0.09 -0.04 0.00 -0.55 0.00 0.00 41.25 40.89 1pit s ASN 44 CO 0.07 -0.35 0.01 -0.36 -2.79 0.00 0.00 177.10 173.68 1pit s PHE 45 N 2.24 2.14 -0.74 0.43 0.08 0.15 -4.92 117.98 117.36 1pit s PHE 45 Ca 0.06 -0.83 0.09 0.00 0.12 0.00 0.00 56.93 56.37 1pit s PHE 45 Cb -0.16 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1pit s PHE 45 CO -0.15 0.32 0.54 1.63 -0.10 0.00 0.00 175.22 177.46 1pit n LYS 46 N -1.14 2.71 -3.49 0.44 5.02 -1.26 -0.72 118.16 119.71 1pit n LYS 46 Ca -0.13 -0.40 -0.11 0.00 -2.02 0.00 0.00 58.31 55.65 1pit n LYS 46 Cb 0.67 -1.03 -0.02 0.00 -0.02 0.00 0.00 35.03 34.63 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 -1.50 -0.51 0.31 4.39 1.04 -1.26 -4.89 113.70 111.28 1pit s SER 47 Ca 0.07 -0.10 -0.00 0.00 0.48 0.00 0.00 55.95 56.39 1pit s SER 47 Cb 0.07 0.61 0.49 0.00 0.10 0.00 0.00 66.02 67.30 1pit s SER 47 CO 0.28 -1.01 1.93 0.00 0.98 0.00 0.00 173.24 175.42 1pit h ALA 48 N 2.00 1.38 0.09 5.32 0.00 -1.95 -1.20 119.26 124.90 1pit h ALA 48 Ca -0.31 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1pit h ALA 48 Cb 1.30 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1pit h ALA 48 CO 0.35 0.50 -0.33 1.49 0.00 0.00 0.00 179.25 181.26 1pit h GLU 49 N 0.91 -0.52 -0.30 0.00 4.81 -1.98 0.13 114.58 117.63 1pit h GLU 49 Ca 0.23 0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.32 1pit h GLU 49 Cb 0.04 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1pit h GLU 49 CO -0.04 -0.35 -0.51 0.22 -0.73 0.00 0.00 179.01 177.61 1pit h ASP 50 N -0.54 0.95 -0.27 1.04 3.58 -1.93 0.10 116.42 119.36 1pit h ASP 50 Ca 0.04 -0.49 0.06 0.00 0.42 0.00 0.00 57.03 57.06 1pit h ASP 50 Cb 0.58 -0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.28 1pit h ASP 50 CO -0.22 1.29 -0.33 0.00 -2.88 0.00 0.00 179.24 177.10 1pit h MET 52 N -0.32 0.69 -0.34 0.00 2.86 -0.58 0.25 114.93 117.48 1pit h MET 52 Ca 0.13 -0.21 0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1pit h MET 52 Cb 0.54 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1pit h MET 52 CO -0.45 0.77 0.24 -0.09 1.06 0.00 0.00 176.91 178.44 1pit h ARG 53 N 0.52 0.04 0.00 1.72 2.43 -0.39 0.36 114.38 119.06 1pit h ARG 53 Ca 0.11 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1pit h ARG 53 Cb 0.45 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1pit h ARG 53 CO 0.02 0.03 -0.11 1.15 -1.51 0.00 0.00 179.97 179.55 1pit h THR 54 N 0.04 0.00 -0.12 0.20 2.02 -0.23 -3.43 112.91 111.39 1pit h THR 54 Ca 0.16 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1pit h THR 54 Cb 0.59 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1pit h THR 54 CO -0.01 0.00 -0.24 0.00 0.37 0.00 0.00 175.52 175.65 1pit h GLY 56 N 0.86 -1.25 0.00 0.00 0.00 -0.36 -3.46 103.07 98.86 1pit h GLY 56 Ca 0.06 0.63 0.00 0.00 0.00 0.00 0.00 47.33 48.02 1pit h GLY 56 CO 0.12 -0.37 0.00 0.61 0.00 0.00 0.00 176.54 176.90 1pit n GLY 57 N -1.25 3.39 3.78 4.60 0.00 -1.26 -5.02 105.19 109.44 1pit n GLY 57 Ca -0.04 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32