#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 1.53 -0.10 5.56 0.05 -1.26 -5.04 135.00 135.74 1pit s PRO 2 Ca 0.00 0.12 -0.13 0.00 0.05 0.00 0.00 61.00 61.04 1pit s PRO 2 Cb 0.00 -1.90 -0.27 0.00 0.05 0.00 0.00 34.50 32.38 1pit s PRO 2 CO 0.00 -1.90 0.50 0.38 0.05 0.00 0.00 177.00 176.03 1pit h ASP 3 N -1.28 0.42 -0.36 6.66 2.03 -2.02 -3.34 116.42 118.53 1pit h ASP 3 Ca -0.47 -0.88 0.11 0.00 -0.73 0.00 0.00 57.03 55.06 1pit h ASP 3 Cb 1.32 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.67 1pit h ASP 3 CO 0.62 1.72 0.34 2.19 -1.03 0.00 0.00 179.24 183.07 1pit h PHE 4 N -0.16 0.00 -0.03 4.15 -5.15 -1.99 -0.32 116.94 113.44 1pit h PHE 4 Ca -0.35 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.43 1pit h PHE 4 Cb 1.88 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.05 1pit h PHE 4 CO 0.10 0.00 0.14 0.00 -2.00 0.00 0.00 178.31 176.56 1pit n LEU 6 N -3.18 2.89 -4.78 0.00 4.32 -0.13 -4.44 117.00 111.68 1pit n LEU 6 Ca -0.02 -1.18 -0.36 0.00 -0.02 0.00 0.00 56.01 54.43 1pit n LEU 6 Cb 0.21 -0.16 -0.03 0.00 -1.62 0.00 0.00 43.42 41.83 1pit n LEU 6 CO 0.20 0.59 0.77 -1.83 -1.22 0.00 0.00 177.39 175.89 1pit s GLU 7 N -1.67 3.91 0.61 3.23 -1.05 0.49 -4.73 118.70 119.48 1pit s GLU 7 Ca 0.35 1.58 -0.16 0.00 -0.15 0.00 0.00 54.97 56.59 1pit s GLU 7 Cb 0.21 -2.38 -0.03 0.00 -0.44 0.00 0.00 34.13 31.50 1pit s GLU 7 CO 0.30 -0.38 1.10 -1.25 0.95 0.00 0.00 175.26 175.98 1pit s PRO 8 N -2.75 3.10 -0.15 -4.83 0.04 -1.26 -4.95 135.00 124.20 1pit s PRO 8 Ca 0.62 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 1pit s PRO 8 Cb -0.23 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1pit s PRO 8 CO 0.28 -1.01 1.51 -1.25 0.04 0.00 0.00 177.00 176.58 1pit s PRO 9 N -3.86 4.06 -0.18 0.56 0.04 -1.26 -5.01 135.00 129.36 1pit s PRO 9 Ca 0.67 1.83 -0.01 0.00 0.04 0.00 0.00 61.00 63.53 1pit s PRO 9 Cb -0.20 -3.93 -0.00 0.00 0.04 0.00 0.00 34.50 30.40 1pit s PRO 9 CO 0.36 -0.96 -0.11 -0.47 0.04 0.00 0.00 177.00 175.86 1pit s TYR 10 N 4.26 2.86 0.05 0.56 5.04 -1.26 -5.03 117.35 123.84 1pit s TYR 10 Ca 0.67 -1.03 -0.09 0.00 -2.44 0.00 0.00 57.07 54.18 1pit s TYR 10 Cb -0.27 -1.97 -0.31 0.00 0.35 0.00 0.00 41.96 39.76 1pit s TYR 10 CO 0.25 -0.51 1.07 1.15 -1.34 0.00 0.00 175.55 176.17 1pit h THR 11 N 5.68 1.40 0.00 4.34 2.02 -1.93 -3.43 112.91 120.98 1pit h THR 11 Ca -0.37 -2.92 0.00 0.00 0.77 0.00 0.00 66.41 63.89 1pit h THR 11 Cb 1.17 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 70.56 1pit h THR 11 CO 0.59 0.86 0.00 0.61 0.37 0.00 0.00 175.52 177.95 1pit n GLY 12 N 1.61 0.53 0.17 2.16 0.00 -1.26 -0.86 105.19 107.54 1pit n GLY 12 Ca -0.12 -2.05 0.14 0.00 0.00 0.00 0.00 46.02 43.99 1pit n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pit h PRO 13 N 0.00 0.00 -6.91 1.61 0.13 -1.94 -3.43 132.00 121.46 1pit h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1pit h PRO 13 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 1pit h PRO 13 CO 0.00 0.00 0.47 0.00 -0.23 0.00 0.00 178.00 178.24 1pit n LYS 15 N 0.36 3.53 -4.29 0.00 4.01 -1.26 -4.54 118.16 115.97 1pit n LYS 15 Ca 0.03 -4.57 -0.30 0.00 -0.51 0.00 0.00 58.31 52.96 1pit n LYS 15 Cb 0.47 -2.27 -0.03 0.00 -0.51 0.00 0.00 35.03 32.68 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 -3.67 4.37 -0.38 7.82 0.00 -1.26 -5.08 121.76 123.56 1pit s ALA 16 Ca 0.48 -0.72 0.13 0.00 0.00 0.00 0.00 51.96 51.84 1pit s ALA 16 Cb 0.33 -0.40 0.39 0.00 0.00 0.00 0.00 23.12 23.44 1pit s ALA 16 CO -0.19 -0.26 0.85 0.54 0.00 0.00 0.00 175.76 176.70 1pit n ARG 17 N -1.58 1.44 -2.34 0.00 3.00 -1.24 -4.09 116.66 111.85 1pit n ARG 17 Ca -0.10 -3.58 -0.43 0.00 -0.01 0.00 0.00 57.85 53.73 1pit n ARG 17 Cb 0.66 -1.65 -0.02 0.00 0.00 0.00 0.00 32.46 31.44 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 -3.09 3.96 0.11 0.55 1.01 0.15 -4.74 121.20 119.15 1pit s ILE 18 Ca 0.37 1.04 -0.33 0.00 0.00 0.00 0.00 60.65 61.73 1pit s ILE 18 Cb 0.38 -4.11 -0.13 0.00 0.01 0.00 0.00 42.46 38.61 1pit s ILE 18 CO -0.05 -0.59 1.72 -0.38 0.00 0.00 0.00 174.94 175.63 1pit n ILE 19 N 6.67 0.20 -4.29 2.92 2.08 -1.26 -0.28 119.36 125.41 1pit n ILE 19 Ca 0.16 -0.04 -0.17 0.00 0.56 0.00 0.00 62.75 63.26 1pit n ILE 19 Cb 0.47 -1.79 -0.09 0.00 -0.75 0.00 0.00 39.64 37.48 1pit n ILE 19 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1pit s ARG 20 N 2.00 1.53 0.17 0.38 1.81 0.32 -4.88 118.95 120.28 1pit s ARG 20 Ca 0.82 -1.86 0.05 0.00 -1.72 0.00 0.00 55.73 53.02 1pit s ARG 20 Cb -0.62 0.08 -0.05 0.00 -0.45 0.00 0.00 34.95 33.91 1pit s ARG 20 CO 0.40 -0.47 -0.08 0.71 -0.68 0.00 0.00 175.30 175.17 1pit s TYR 21 N -3.71 1.37 -0.05 -0.53 1.51 -0.97 -0.09 117.35 114.88 1pit s TYR 21 Ca 0.38 -0.78 -0.22 0.00 -1.01 0.00 0.00 57.07 55.44 1pit s TYR 21 Cb 0.05 -0.71 0.05 0.00 -0.11 0.00 0.00 41.96 41.23 1pit s TYR 21 CO 0.18 0.08 0.48 -0.59 -1.11 0.00 0.00 175.55 174.59 1pit s PHE 22 N -3.32 -0.42 -0.10 2.71 -0.71 -0.03 -0.41 117.98 115.70 1pit s PHE 22 Ca 0.20 0.74 -0.30 0.00 -1.04 0.00 0.00 56.93 56.53 1pit s PHE 22 Cb 0.03 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 1pit s PHE 22 CO 0.03 -0.47 1.48 -0.47 -1.34 0.00 0.00 175.22 174.45 1pit s TYR 23 N -1.11 2.38 -0.64 3.49 5.04 -1.26 -0.69 117.35 124.55 1pit s TYR 23 Ca -0.11 0.56 -0.18 0.00 -2.44 0.00 0.00 57.07 54.90 1pit s TYR 23 Cb -0.03 -3.73 0.12 0.00 0.35 0.00 0.00 41.96 38.66 1pit s TYR 23 CO 0.06 -2.89 0.75 1.21 -1.34 0.00 0.00 175.55 173.34 1pit s ASN 24 N 2.70 6.27 0.60 4.32 2.47 0.03 -4.65 114.94 126.68 1pit s ASN 24 Ca 0.65 -1.60 0.27 0.00 0.42 0.00 0.00 52.86 52.61 1pit s ASN 24 Cb -0.28 -2.30 1.14 0.00 -1.45 0.00 0.00 41.25 38.35 1pit s ASN 24 CO 0.23 -1.07 1.54 0.00 -3.72 0.00 0.00 177.10 174.09 1pit h ALA 25 N 9.04 2.60 -0.03 1.71 0.00 -1.84 0.32 119.26 131.07 1pit h ALA 25 Ca -0.22 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1pit h ALA 25 Cb 1.08 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1pit h ALA 25 CO 1.07 -1.31 -0.59 -0.22 0.00 0.00 0.00 179.25 178.21 1pit h LYS 26 N 0.00 0.09 0.00 0.00 3.64 -1.93 -3.21 116.57 115.16 1pit h LYS 26 Ca 0.36 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.60 1pit h LYS 26 Cb 2.19 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 34.00 1pit h LYS 26 CO -0.00 0.65 -1.95 0.00 -2.27 0.00 0.00 179.45 175.87 1pit n ALA 27 N -2.44 2.41 -2.60 5.00 0.00 0.07 -5.00 120.51 117.95 1pit n ALA 27 Ca -0.02 -0.63 -0.12 0.00 0.00 0.00 0.00 53.44 52.67 1pit n ALA 27 Cb 0.59 -0.51 0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 1.55 -0.01 3.17 0.00 0.00 0.89 -5.03 105.19 105.77 1pit n GLY 28 Ca -0.10 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.83 1.35 -0.15 0.99 1.98 -1.18 -4.97 118.68 112.86 1pit s LEU 29 Ca 0.14 -0.28 -0.28 0.00 -2.89 0.00 0.00 54.13 50.82 1pit s LEU 29 Cb -0.06 0.94 -0.01 0.00 0.66 0.00 0.00 46.19 47.71 1pit s LEU 29 CO 0.17 -0.51 0.95 0.00 -1.89 0.00 0.00 176.35 175.07 1pit s GLN 31 N 2.25 1.33 0.46 0.00 -0.21 0.13 -4.91 119.66 118.71 1pit s GLN 31 Ca 0.44 -1.68 -0.03 0.00 0.02 0.00 0.00 55.36 54.11 1pit s GLN 31 Cb -0.17 -0.48 -0.02 0.00 1.00 0.00 0.00 33.01 33.34 1pit s GLN 31 CO 0.14 -0.16 0.72 0.95 -2.12 0.00 0.00 175.29 174.82 1pit s THR 32 N -3.54 4.55 0.31 -0.19 -4.23 -1.26 -0.85 115.64 110.42 1pit s THR 32 Ca 0.30 -0.16 -0.19 0.00 -1.18 0.00 0.00 61.69 60.47 1pit s THR 32 Cb 0.06 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.24 1pit s THR 32 CO 0.09 -0.60 0.79 0.72 -0.54 0.00 0.00 174.62 175.08 1pit s PHE 33 N -2.63 -0.04 -0.19 3.99 -0.71 0.88 -4.86 117.98 114.41 1pit s PHE 33 Ca 0.47 -0.50 -0.14 0.00 -1.04 0.00 0.00 56.93 55.72 1pit s PHE 33 Cb -0.10 0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 42.43 1pit s PHE 33 CO 0.41 -1.33 0.29 0.08 -1.34 0.00 0.00 175.22 173.33 1pit s VAL 34 N -3.08 5.29 0.06 -2.49 1.01 -1.26 -0.52 120.40 119.41 1pit s VAL 34 Ca 0.14 0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.70 1pit s VAL 34 Cb -0.05 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1pit s VAL 34 CO 0.08 0.34 -0.18 -0.47 0.00 0.00 0.00 175.10 174.87 1pit s TYR 35 N 0.86 2.54 0.00 5.22 5.04 0.62 -4.58 117.35 127.05 1pit s TYR 35 Ca 0.15 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.52 1pit s TYR 35 Cb -0.13 -1.43 0.00 0.00 0.35 0.00 0.00 41.96 40.75 1pit s TYR 35 CO 0.05 0.28 0.01 0.41 -1.34 0.00 0.00 175.55 174.96 1pit n GLY 36 N 1.36 -0.50 0.39 8.97 0.00 -0.04 0.31 105.19 115.69 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 1.37 -0.59 3.74 -0.02 0.00 -1.25 -4.19 105.19 104.25 1pit n GLY 37 Ca 0.00 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.43 -5.37 -1.87 0.00 5.12 -1.26 -4.22 116.66 108.62 1pit n ARG 39 Ca -0.09 0.66 -0.42 0.00 -1.93 0.00 0.00 57.85 56.08 1pit n ARG 39 Cb 0.56 -5.15 -0.02 0.00 -1.16 0.00 0.00 32.46 26.69 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 -3.28 3.73 0.79 7.54 0.00 -1.26 -4.78 121.76 124.51 1pit s ALA 40 Ca 0.07 1.46 -0.10 0.00 0.00 0.00 0.00 51.96 53.40 1pit s ALA 40 Cb -0.03 -3.62 0.11 0.00 0.00 0.00 0.00 23.12 19.57 1pit s ALA 40 CO 0.57 -0.87 1.13 0.15 0.00 0.00 0.00 175.76 176.74 1pit s LYS 41 N -0.04 1.71 0.09 0.00 -0.14 -1.26 -5.02 119.74 115.08 1pit s LYS 41 Ca 0.64 -0.29 -0.05 0.00 -1.36 0.00 0.00 55.97 54.91 1pit s LYS 41 Cb -0.45 -2.05 -0.24 0.00 -1.68 0.00 0.00 37.83 33.40 1pit s LYS 41 CO 0.42 -1.63 1.17 0.00 -0.76 0.00 0.00 175.35 174.55 1pit h ARG 42 N -0.96 0.32 -2.59 1.68 3.08 -1.95 -3.35 114.38 110.62 1pit h ARG 42 Ca -0.44 -0.49 -0.28 0.00 0.07 0.00 0.00 59.98 58.84 1pit h ARG 42 Cb 1.29 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.49 1pit h ARG 42 CO 0.54 1.21 1.07 -1.71 -1.07 0.00 0.00 179.97 180.01 1pit n ASN 43 N -3.60 5.07 -3.45 7.04 5.15 -1.26 -4.69 115.26 119.52 1pit n ASN 43 Ca -0.09 -2.33 -0.28 0.00 -0.60 0.00 0.00 54.58 51.29 1pit n ASN 43 Cb 0.98 -1.18 -0.11 0.00 -0.53 0.00 0.00 39.78 38.94 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 2.44 2.21 0.55 1.20 -0.87 -1.24 -4.12 114.94 115.11 1pit s ASN 44 Ca 0.53 -2.76 0.08 0.00 -1.57 0.00 0.00 52.86 49.14 1pit s ASN 44 Cb 0.21 -0.50 0.07 0.00 -0.02 0.00 0.00 41.25 41.01 1pit s ASN 44 CO -0.02 -0.22 0.65 -0.36 -2.57 0.00 0.00 177.10 174.58 1pit s PHE 45 N 0.38 1.58 -0.21 2.20 0.08 0.45 -4.87 117.98 117.57 1pit s PHE 45 Ca 0.27 -0.74 0.08 0.00 0.12 0.00 0.00 56.93 56.66 1pit s PHE 45 Cb -0.07 -2.12 -0.10 0.00 -0.57 0.00 0.00 43.02 40.15 1pit s PHE 45 CO -0.11 -0.88 0.26 1.17 -0.10 0.00 0.00 175.22 175.56 1pit n LYS 46 N -2.06 2.50 -3.90 0.44 4.81 -1.26 -2.29 118.16 116.41 1pit n LYS 46 Ca 0.10 -0.03 -0.09 0.00 -0.87 0.00 0.00 58.31 57.41 1pit n LYS 46 Cb 0.62 -1.02 -0.08 0.00 0.02 0.00 0.00 35.03 34.57 1pit n LYS 46 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1pit s SER 47 N -2.29 0.17 0.30 3.14 1.04 -1.26 -4.88 113.70 109.92 1pit s SER 47 Ca 0.00 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 1pit s SER 47 Cb 0.06 0.30 0.47 0.00 0.10 0.00 0.00 66.02 66.94 1pit s SER 47 CO 0.33 -0.65 1.91 0.00 0.98 0.00 0.00 173.24 175.80 1pit h ALA 48 N 3.04 1.34 0.17 5.32 0.00 -1.95 -1.70 119.26 125.48 1pit h ALA 48 Ca -0.33 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1pit h ALA 48 Cb 1.19 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1pit h ALA 48 CO 0.56 0.51 -0.47 1.49 0.00 0.00 0.00 179.25 181.34 1pit h GLU 49 N 0.89 -0.72 -0.30 0.00 4.81 -1.98 0.94 114.58 118.22 1pit h GLU 49 Ca 0.22 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1pit h GLU 49 Cb 0.10 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1pit h GLU 49 CO -0.03 -0.48 0.09 0.22 -0.73 0.00 0.00 179.01 178.09 1pit h ASP 50 N -0.74 0.09 -0.11 1.04 3.58 -1.91 0.24 116.42 118.61 1pit h ASP 50 Ca 0.00 0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.53 1pit h ASP 50 Cb 0.74 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.76 1pit h ASP 50 CO -0.24 0.08 -0.34 0.00 -2.88 0.00 0.00 179.24 175.87 1pit h MET 52 N -0.43 0.54 -0.53 0.00 1.85 -0.10 -0.84 114.93 115.42 1pit h MET 52 Ca 0.09 -0.12 0.09 0.00 -0.61 0.00 0.00 59.70 59.14 1pit h MET 52 Cb 0.57 -0.07 -0.07 0.00 0.43 0.00 0.00 31.60 32.45 1pit h MET 52 CO -0.35 0.58 0.13 -0.09 -0.40 0.00 0.00 176.91 176.79 1pit h ARG 53 N 0.40 0.27 0.29 0.39 2.43 -0.41 0.33 114.38 118.09 1pit h ARG 53 Ca 0.11 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1pit h ARG 53 Cb 0.28 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1pit h ARG 53 CO -0.00 0.18 -0.14 1.15 -1.51 0.00 0.00 179.97 179.65 1pit h THR 54 N 0.28 0.71 0.04 0.20 2.02 -0.51 -3.39 112.91 112.27 1pit h THR 54 Ca 0.27 -0.01 -0.38 0.00 0.77 0.00 0.00 66.41 67.05 1pit h THR 54 Cb 0.35 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1pit h THR 54 CO -0.32 0.00 -2.27 0.00 0.37 0.00 0.00 175.52 173.30 1pit n GLY 56 N 2.08 0.36 0.00 0.00 0.00 0.11 -4.51 105.19 103.24 1pit n GLY 56 Ca -0.41 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.37 0.25 -0.02 0.00 -1.26 -5.08 105.19 98.72 1pit n GLY 57 Ca 0.00 0.41 0.03 0.00 0.00 0.00 0.00 46.02 46.46 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32