#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 2.64 0.20 -0.14 0.04 -1.26 -5.00 135.00 131.48 1pit s PRO 2 Ca 0.00 0.18 -0.05 0.00 0.04 0.00 0.00 61.00 61.17 1pit s PRO 2 Cb 0.00 -2.10 0.13 0.00 0.04 0.00 0.00 34.50 32.57 1pit s PRO 2 CO 0.00 -1.06 1.56 0.22 0.04 0.00 0.00 177.00 177.76 1pit h ASP 3 N -0.58 0.75 0.02 6.66 1.82 -2.02 -3.00 116.42 120.07 1pit h ASP 3 Ca -0.45 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 55.86 1pit h ASP 3 Cb 1.27 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 41.08 1pit h ASP 3 CO 0.63 1.05 -0.01 2.19 -1.61 0.00 0.00 179.24 181.48 1pit h PHE 4 N 0.59 0.00 0.00 0.28 -5.15 -1.97 0.66 116.94 111.35 1pit h PHE 4 Ca 0.05 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.82 1pit h PHE 4 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.08 1pit h PHE 4 CO 0.04 0.01 0.03 0.00 -2.00 0.00 0.00 178.31 176.39 1pit n LEU 6 N -2.26 0.97 -4.77 0.00 4.32 0.22 -4.22 117.00 111.27 1pit n LEU 6 Ca -0.01 -0.56 -0.35 0.00 -0.02 0.00 0.00 56.01 55.07 1pit n LEU 6 Cb 0.06 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.88 1pit n LEU 6 CO 0.09 0.22 0.79 -1.83 -1.22 0.00 0.00 177.39 175.45 1pit s GLU 7 N -2.41 3.15 0.59 3.23 -1.05 0.19 -4.70 118.70 117.70 1pit s GLU 7 Ca 0.08 1.64 -0.15 0.00 -0.15 0.00 0.00 54.97 56.38 1pit s GLU 7 Cb 0.13 -1.97 -0.04 0.00 -0.44 0.00 0.00 34.13 31.81 1pit s GLU 7 CO 0.61 -1.02 1.05 -1.25 0.95 0.00 0.00 175.26 175.60 1pit s PRO 8 N -3.43 3.35 0.21 -4.83 0.04 -1.26 -4.92 135.00 124.16 1pit s PRO 8 Ca 0.73 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 1pit s PRO 8 Cb -0.25 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 1pit s PRO 8 CO 0.31 -0.78 1.34 -1.25 0.04 0.00 0.00 177.00 176.67 1pit s PRO 9 N -4.16 4.36 -0.30 0.56 0.04 -1.26 -5.00 135.00 129.23 1pit s PRO 9 Ca 0.63 2.12 -0.04 0.00 0.04 0.00 0.00 61.00 63.74 1pit s PRO 9 Cb -0.15 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.25 1pit s PRO 9 CO 0.38 -0.30 0.04 -0.47 0.04 0.00 0.00 177.00 176.69 1pit s TYR 10 N 0.11 3.19 0.16 0.56 6.14 -1.26 -4.97 117.35 121.28 1pit s TYR 10 Ca 0.58 -1.46 0.05 0.00 0.64 0.00 0.00 57.07 56.88 1pit s TYR 10 Cb -0.38 -2.18 -0.03 0.00 0.42 0.00 0.00 41.96 39.79 1pit s TYR 10 CO 0.39 -0.71 1.37 1.15 0.64 0.00 0.00 175.55 178.39 1pit h THR 11 N 6.17 1.57 -1.67 4.34 2.02 -1.95 -3.44 112.91 119.95 1pit h THR 11 Ca -0.27 -2.85 0.20 0.00 0.77 0.00 0.00 66.41 64.26 1pit h THR 11 Cb 1.09 2.57 -0.06 0.00 -1.74 0.00 0.00 68.15 70.02 1pit h THR 11 CO 0.58 0.82 -0.35 0.61 0.37 0.00 0.00 175.52 177.55 1pit n GLY 12 N 0.97 -1.89 2.78 2.16 0.00 -1.26 -3.95 105.19 104.00 1pit n GLY 12 Ca -0.02 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.97 2.54 -4.32 1.61 -0.04 -1.26 -4.84 135.00 125.71 1pit n PRO 13 Ca -0.01 -2.31 -0.22 0.00 -0.04 0.00 0.00 63.50 60.92 1pit n PRO 13 Cb 0.34 -3.11 -0.11 0.00 -0.04 0.00 0.00 33.50 30.57 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 0.46 1.69 -0.42 0.00 5.02 -1.26 -4.83 118.16 118.82 1pit n LYS 15 Ca -0.15 -0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 55.81 1pit n LYS 15 Cb 0.56 -0.99 0.28 0.00 -0.02 0.00 0.00 35.03 34.87 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 -2.05 -0.68 -0.05 7.82 0.00 -1.26 -5.00 121.76 120.55 1pit s ALA 16 Ca -0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 1pit s ALA 16 Cb 0.03 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.20 1pit s ALA 16 CO 0.18 -4.48 0.07 0.50 0.00 0.00 0.00 175.76 172.04 1pit s ARG 17 N -5.00 -0.06 -0.14 0.00 3.52 -1.25 -4.11 118.95 111.92 1pit s ARG 17 Ca 0.69 0.40 -0.04 0.00 -0.13 0.00 0.00 55.73 56.64 1pit s ARG 17 Cb -0.15 -0.46 0.06 0.00 -1.56 0.00 0.00 34.95 32.85 1pit s ARG 17 CO 0.59 -0.32 0.18 0.42 -0.81 0.00 0.00 175.30 175.36 1pit s ILE 18 N 2.12 -0.27 0.03 4.11 1.01 0.14 -4.96 121.20 123.37 1pit s ILE 18 Ca 0.04 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1pit s ILE 18 Cb -0.12 -0.46 -0.08 0.00 0.01 0.00 0.00 42.46 41.81 1pit s ILE 18 CO -0.03 -0.02 1.81 -0.63 0.00 0.00 0.00 174.94 176.07 1pit s ILE 19 N 2.30 3.14 0.40 2.92 -1.09 -1.26 -0.33 121.20 127.27 1pit s ILE 19 Ca 0.04 0.31 0.04 0.00 -2.23 0.00 0.00 60.65 58.80 1pit s ILE 19 Cb -0.14 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1pit s ILE 19 CO -0.08 -0.02 0.06 -0.13 -1.23 0.00 0.00 174.94 173.54 1pit s ARG 20 N 3.83 1.90 0.17 2.79 1.81 0.40 -4.92 118.95 124.93 1pit s ARG 20 Ca 0.81 -2.13 -0.00 0.00 -1.72 0.00 0.00 55.73 52.69 1pit s ARG 20 Cb -0.40 -1.03 -0.04 0.00 -0.45 0.00 0.00 34.95 33.03 1pit s ARG 20 CO 0.36 -0.30 0.08 0.71 -0.68 0.00 0.00 175.30 175.47 1pit s TYR 21 N -3.10 1.07 -0.05 -0.53 1.51 -0.74 -0.38 117.35 115.13 1pit s TYR 21 Ca 0.26 -1.25 -0.29 0.00 -1.01 0.00 0.00 57.07 54.79 1pit s TYR 21 Cb 0.05 -0.58 0.06 0.00 -0.11 0.00 0.00 41.96 41.39 1pit s TYR 21 CO 0.13 -0.50 0.63 -0.59 -1.11 0.00 0.00 175.55 174.12 1pit s PHE 22 N -4.00 -0.60 -0.23 2.71 -0.71 -0.86 -0.65 117.98 113.64 1pit s PHE 22 Ca 0.30 1.05 -0.29 0.00 -1.04 0.00 0.00 56.93 56.95 1pit s PHE 22 Cb 0.07 0.37 -0.01 0.00 -1.21 0.00 0.00 43.02 42.23 1pit s PHE 22 CO 0.06 -0.57 1.39 -0.47 -1.34 0.00 0.00 175.22 174.29 1pit s TYR 23 N -1.14 2.55 -0.63 3.49 6.14 -1.26 -0.26 117.35 126.23 1pit s TYR 23 Ca -0.11 0.79 -0.22 0.00 0.64 0.00 0.00 57.07 58.16 1pit s TYR 23 Cb -0.01 -3.81 0.07 0.00 0.42 0.00 0.00 41.96 38.62 1pit s TYR 23 CO 0.09 -2.14 0.93 1.21 0.64 0.00 0.00 175.55 176.28 1pit s ASN 24 N 2.94 6.20 0.09 4.32 3.84 -0.11 -4.49 114.94 127.74 1pit s ASN 24 Ca 0.60 -0.90 0.06 0.00 0.21 0.00 0.00 52.86 52.84 1pit s ASN 24 Cb -0.21 -2.41 0.34 0.00 -0.55 0.00 0.00 41.25 38.42 1pit s ASN 24 CO 0.23 -1.36 1.18 0.00 -2.79 0.00 0.00 177.10 174.36 1pit n ALA 25 N 7.51 0.99 -0.02 1.71 0.00 -1.26 0.63 120.51 130.07 1pit n ALA 25 Ca -0.03 0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1pit n ALA 25 Cb 0.46 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.69 1pit n ALA 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pit n LYS 26 N -1.71 0.64 0.00 0.00 4.81 -1.26 -4.23 118.16 116.41 1pit n LYS 26 Ca -0.00 0.29 0.08 0.00 -0.87 0.00 0.00 58.31 57.80 1pit n LYS 26 Cb 0.02 -1.78 -0.07 0.00 0.02 0.00 0.00 35.03 33.22 1pit n LYS 26 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pit n ALA 27 N -2.60 3.88 -2.05 3.14 0.00 -0.63 -5.00 120.51 117.26 1pit n ALA 27 Ca -0.19 -0.47 -0.19 0.00 0.00 0.00 0.00 53.44 52.59 1pit n ALA 27 Cb 1.05 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 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 1.33 0.49 3.30 0.00 0.00 0.21 -4.97 105.19 105.54 1pit n GLY 28 Ca 0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.10 0.90 -0.19 0.99 1.98 -1.18 -4.93 118.68 111.16 1pit s LEU 29 Ca 0.00 -0.61 -0.27 0.00 -2.89 0.00 0.00 54.13 50.36 1pit s LEU 29 Cb 0.00 1.40 -0.00 0.00 0.66 0.00 0.00 46.19 48.25 1pit s LEU 29 CO 0.00 -0.84 0.93 0.00 -1.89 0.00 0.00 176.35 174.55 1pit s GLN 31 N 2.58 2.35 0.21 0.00 -1.52 0.64 -4.85 119.66 119.06 1pit s GLN 31 Ca 0.41 -1.77 0.10 0.00 -1.95 0.00 0.00 55.36 52.16 1pit s GLN 31 Cb -0.16 -2.37 -0.05 0.00 -0.22 0.00 0.00 33.01 30.22 1pit s GLN 31 CO 0.11 -0.61 -0.20 0.95 -0.25 0.00 0.00 175.29 175.29 1pit s THR 32 N -2.66 2.12 0.14 -0.19 -4.23 -1.26 -2.03 115.64 107.53 1pit s THR 32 Ca 0.47 -2.12 -0.25 0.00 -1.18 0.00 0.00 61.69 58.61 1pit s THR 32 Cb -0.04 -2.07 0.07 0.00 1.34 0.00 0.00 72.50 71.80 1pit s THR 32 CO 0.29 -0.33 0.83 0.72 -0.54 0.00 0.00 174.62 175.59 1pit s PHE 33 N -2.21 -0.27 -0.16 3.99 -0.71 0.49 -4.93 117.98 114.19 1pit s PHE 33 Ca 0.22 -0.01 -0.19 0.00 -1.04 0.00 0.00 56.93 55.91 1pit s PHE 33 Cb -0.05 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 1pit s PHE 33 CO 0.10 -0.84 0.54 0.08 -1.34 0.00 0.00 175.22 173.75 1pit s VAL 34 N -3.45 5.12 0.12 -2.49 1.01 -1.26 -0.46 120.40 118.99 1pit s VAL 34 Ca 0.08 1.04 0.10 0.00 0.00 0.00 0.00 61.98 63.20 1pit s VAL 34 Cb -0.02 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1pit s VAL 34 CO -0.02 0.23 -0.25 -0.47 0.00 0.00 0.00 175.10 174.59 1pit s TYR 35 N 1.22 2.12 0.00 5.22 5.04 0.55 -4.78 117.35 126.72 1pit s TYR 35 Ca 0.27 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 1pit s TYR 35 Cb -0.16 -1.15 0.00 0.00 0.35 0.00 0.00 41.96 41.01 1pit s TYR 35 CO 0.11 0.30 0.03 0.41 -1.34 0.00 0.00 175.55 175.05 1pit n GLY 36 N 0.95 -0.56 0.00 8.97 0.00 -1.25 0.27 105.19 113.57 1pit n GLY 36 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.31 0.00 3.59 -0.02 0.00 -1.26 -3.80 105.19 105.00 1pit n GLY 37 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.30 -1.89 -1.81 0.00 0.00 -1.26 -4.87 116.66 107.13 1pit n ARG 39 Ca -0.05 0.24 -0.41 0.00 -0.00 0.00 0.00 57.85 57.64 1pit n ARG 39 Cb 0.59 -4.70 -0.00 0.00 -0.00 0.00 0.00 32.46 28.35 1pit n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pit s ALA 40 N -3.47 3.59 0.83 2.89 0.00 -1.26 -4.93 121.76 119.41 1pit s ALA 40 Ca 0.62 1.56 -0.04 0.00 0.00 0.00 0.00 51.96 54.11 1pit s ALA 40 Cb -0.35 -3.61 0.07 0.00 0.00 0.00 0.00 23.12 19.23 1pit s ALA 40 CO 0.98 -1.04 0.42 1.63 0.00 0.00 0.00 175.76 177.75 1pit n LYS 41 N 0.62 -0.17 0.11 0.00 4.76 -1.26 -5.02 118.16 117.20 1pit n LYS 41 Ca 0.02 -0.79 -0.22 0.00 -2.87 0.00 0.00 58.31 54.45 1pit n LYS 41 Cb 0.39 -0.39 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 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 0.43 -2.40 1.97 2.47 -1.95 -3.36 114.38 111.54 1pit h ARG 42 Ca -0.14 -0.73 -0.40 0.00 -1.26 0.00 0.00 59.98 57.45 1pit h ARG 42 Cb 0.41 0.27 -0.04 0.00 -1.65 0.00 0.00 29.97 28.97 1pit h ARG 42 CO 0.11 1.34 1.35 -1.71 0.56 0.00 0.00 179.97 181.62 1pit n ASN 43 N -3.62 6.73 -3.63 7.04 5.15 -1.26 -4.75 115.26 120.91 1pit n ASN 43 Ca -0.17 -2.57 -0.29 0.00 -0.60 0.00 0.00 54.58 50.96 1pit n ASN 43 Cb 1.08 -1.46 -0.15 0.00 -0.53 0.00 0.00 39.78 38.71 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 1.94 3.58 0.45 1.20 -0.87 -1.25 -4.31 114.94 115.68 1pit s ASN 44 Ca 0.67 -1.33 0.06 0.00 -1.57 0.00 0.00 52.86 50.70 1pit s ASN 44 Cb 0.27 -0.55 -0.04 0.00 -0.02 0.00 0.00 41.25 40.91 1pit s ASN 44 CO -0.04 -0.41 0.18 -0.36 -2.57 0.00 0.00 177.10 173.90 1pit s PHE 45 N 1.91 2.35 -0.02 2.20 0.08 0.18 -4.91 117.98 119.76 1pit s PHE 45 Ca 0.08 -0.68 0.08 0.00 0.12 0.00 0.00 56.93 56.53 1pit s PHE 45 Cb -0.17 -1.89 -0.13 0.00 -0.57 0.00 0.00 43.02 40.27 1pit s PHE 45 CO -0.28 0.11 0.18 1.63 -0.10 0.00 0.00 175.22 176.76 1pit n LYS 46 N -1.30 0.31 -3.95 0.44 5.02 -1.26 -1.79 118.16 115.63 1pit n LYS 46 Ca -0.04 -0.07 -0.08 0.00 -2.02 0.00 0.00 58.31 56.09 1pit n LYS 46 Cb 0.65 -1.19 -0.09 0.00 -0.02 0.00 0.00 35.03 34.38 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 -2.93 0.25 0.18 4.39 1.04 -1.26 -4.89 113.70 110.48 1pit s SER 47 Ca -0.03 -0.71 -0.10 0.00 0.48 0.00 0.00 55.95 55.60 1pit s SER 47 Cb 0.05 0.25 0.07 0.00 0.10 0.00 0.00 66.02 66.50 1pit s SER 47 CO 0.34 -0.60 1.67 0.00 0.98 0.00 0.00 173.24 175.63 1pit h ALA 48 N 3.22 0.83 -0.00 5.32 0.00 -1.95 -0.77 119.26 125.91 1pit h ALA 48 Ca -0.33 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.34 1pit h ALA 48 Cb 1.18 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1pit h ALA 48 CO 0.57 0.60 -0.38 0.93 0.00 0.00 0.00 179.25 180.96 1pit h GLU 49 N 0.95 -0.52 -0.38 0.00 4.39 -1.99 0.42 114.58 117.46 1pit h GLU 49 Ca 0.19 0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 1pit h GLU 49 Cb 0.45 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1pit h GLU 49 CO 0.01 -0.35 -0.05 0.22 -1.16 0.00 0.00 179.01 177.69 1pit h ASP 50 N -0.54 0.70 -0.30 1.42 3.58 -1.94 0.19 116.42 119.54 1pit h ASP 50 Ca 0.05 -0.34 0.05 0.00 0.42 0.00 0.00 57.03 57.22 1pit h ASP 50 Cb 0.62 -0.19 -0.08 0.00 1.72 0.00 0.00 39.33 41.40 1pit h ASP 50 CO -0.30 0.88 -0.48 0.00 -2.88 0.00 0.00 179.24 176.45 1pit h MET 52 N -0.43 0.16 -0.84 0.00 2.86 -0.67 -1.61 114.93 114.41 1pit h MET 52 Ca 0.09 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.86 1pit h MET 52 Cb 0.62 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.15 1pit h MET 52 CO -0.52 0.11 0.43 0.00 1.06 0.00 0.00 176.91 177.99 1pit h ARG 53 N 0.17 0.61 -0.73 1.72 2.47 -0.10 0.51 114.38 119.03 1pit h ARG 53 Ca 0.13 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 1pit h ARG 53 Cb 0.14 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 1pit h ARG 53 CO -0.17 0.41 0.24 1.15 0.56 0.00 0.00 179.97 182.16 1pit h THR 54 N 0.63 1.26 0.00 2.04 2.02 -0.37 -3.36 112.91 115.13 1pit h THR 54 Ca 0.45 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1pit h THR 54 Cb 0.61 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1pit h THR 54 CO -0.35 0.34 -0.27 0.00 0.37 0.00 0.00 175.52 175.61 1pit n GLY 56 N 1.65 -0.19 0.00 0.00 0.00 0.15 -4.00 105.19 102.81 1pit n GLY 56 Ca -0.09 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 6.67 0.16 3.72 -0.02 0.00 -1.26 -4.79 105.19 109.67 1pit n GLY 57 Ca 0.49 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32