#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 2.48 0.08 2.89 0.04 -1.26 -5.02 135.00 134.21 1pit s PRO 2 Ca 0.00 0.29 0.08 0.00 0.04 0.00 0.00 61.00 61.41 1pit s PRO 2 Cb 0.00 -2.00 -0.22 0.00 0.04 0.00 0.00 34.50 32.32 1pit s PRO 2 CO 0.00 -1.26 1.12 0.22 0.04 0.00 0.00 177.00 177.12 1pit h ASP 3 N -0.80 0.00 0.12 6.66 3.58 -2.02 -3.31 116.42 120.65 1pit h ASP 3 Ca -0.45 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1pit h ASP 3 Cb 1.29 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1pit h ASP 3 CO 0.65 1.00 0.00 2.19 -2.88 0.00 0.00 179.24 180.20 1pit h PHE 4 N 0.00 0.00 0.00 0.28 -5.15 -2.01 -0.71 116.94 109.36 1pit h PHE 4 Ca -0.08 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.69 1pit h PHE 4 Cb 1.83 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.00 1pit h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1pit n LEU 6 N -1.37 5.23 -4.87 0.00 4.32 -0.27 -4.21 117.00 115.83 1pit n LEU 6 Ca 0.04 -3.45 -0.31 0.00 -0.02 0.00 0.00 56.01 52.28 1pit n LEU 6 Cb 0.10 -0.70 -0.00 0.00 -1.62 0.00 0.00 43.42 41.20 1pit n LEU 6 CO 0.09 0.98 0.65 -1.61 -1.22 0.00 0.00 177.39 176.29 1pit s GLU 7 N -3.11 3.67 0.49 3.23 2.02 -1.00 -4.90 118.70 119.10 1pit s GLU 7 Ca 0.50 0.69 -0.08 0.00 0.02 0.00 0.00 54.97 56.10 1pit s GLU 7 Cb 0.42 -2.16 -0.05 0.00 0.10 0.00 0.00 34.13 32.45 1pit s GLU 7 CO 0.08 -0.42 0.84 -1.25 0.02 0.00 0.00 175.26 174.53 1pit s PRO 8 N -4.80 3.64 -0.83 0.39 0.04 -1.26 -4.79 135.00 127.39 1pit s PRO 8 Ca 0.54 0.42 -0.25 0.00 0.04 0.00 0.00 61.00 61.76 1pit s PRO 8 Cb -0.11 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1pit s PRO 8 CO 0.47 -0.24 1.70 -1.25 0.04 0.00 0.00 177.00 177.72 1pit s PRO 9 N -4.56 2.91 -0.43 0.56 0.04 -1.26 -4.95 135.00 127.31 1pit s PRO 9 Ca 0.51 -0.24 -0.26 0.00 0.04 0.00 0.00 61.00 61.04 1pit s PRO 9 Cb -0.10 -4.81 0.02 0.00 0.04 0.00 0.00 34.50 29.65 1pit s PRO 9 CO 0.42 -2.74 0.97 -0.47 0.04 0.00 0.00 177.00 175.22 1pit s TYR 10 N 7.95 2.96 0.19 0.56 5.04 -1.26 -4.92 117.35 127.87 1pit s TYR 10 Ca 0.58 0.61 -0.08 0.00 -2.44 0.00 0.00 57.07 55.73 1pit s TYR 10 Cb -0.07 -3.94 0.10 0.00 0.35 0.00 0.00 41.96 38.40 1pit s TYR 10 CO 0.05 -1.03 1.66 1.15 -1.34 0.00 0.00 175.55 176.04 1pit h THR 11 N 6.01 1.26 0.00 4.34 2.02 -1.93 -3.43 112.91 121.19 1pit h THR 11 Ca -0.23 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1pit h THR 11 Cb 1.07 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1pit h THR 11 CO 1.03 0.41 0.00 0.61 0.37 0.00 0.00 175.52 177.95 1pit n GLY 12 N -0.45 0.53 0.93 2.16 0.00 -1.26 -0.31 105.19 106.78 1pit n GLY 12 Ca 0.03 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 0.72 0.74 -4.44 1.61 -0.04 -1.26 -4.79 135.00 127.55 1pit n PRO 13 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1pit n PRO 13 Cb 0.00 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 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 1.77 4.97 -4.02 0.00 4.76 -1.26 -4.70 118.16 119.68 1pit n LYS 15 Ca -0.16 -4.23 -0.11 0.00 -2.87 0.00 0.00 58.31 50.93 1pit n LYS 15 Cb 0.53 -2.55 -0.04 0.00 -1.84 0.00 0.00 35.03 31.12 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pit s ALA 16 N -2.93 0.07 -0.04 7.82 0.00 -1.26 -5.09 121.76 120.34 1pit s ALA 16 Ca 0.42 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1pit s ALA 16 Cb 0.16 1.07 0.03 0.00 0.00 0.00 0.00 23.12 24.39 1pit s ALA 16 CO -0.08 -0.84 0.06 1.03 0.00 0.00 0.00 175.76 175.93 1pit s ARG 17 N -3.58 -0.05 -0.11 0.00 3.00 -1.24 -4.35 118.95 112.61 1pit s ARG 17 Ca 0.25 0.32 -0.02 0.00 0.00 0.00 0.00 55.73 56.28 1pit s ARG 17 Cb -0.01 -0.39 0.04 0.00 0.00 0.00 0.00 34.95 34.59 1pit s ARG 17 CO 0.13 -0.26 0.01 0.42 0.00 0.00 0.00 175.30 175.59 1pit s ILE 18 N 1.73 0.46 0.11 1.52 1.01 0.12 -4.94 121.20 121.22 1pit s ILE 18 Ca -0.01 -0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.22 1pit s ILE 18 Cb -0.12 -0.72 -0.10 0.00 0.01 0.00 0.00 42.46 41.53 1pit s ILE 18 CO -0.03 0.13 1.79 -0.63 0.00 0.00 0.00 174.94 176.19 1pit s ILE 19 N 1.92 2.64 0.36 2.92 -1.09 -1.26 -0.40 121.20 126.29 1pit s ILE 19 Ca 0.03 0.15 0.07 0.00 -2.23 0.00 0.00 60.65 58.66 1pit s ILE 19 Cb -0.14 -3.09 -0.02 0.00 -1.58 0.00 0.00 42.46 37.62 1pit s ILE 19 CO -0.06 -0.00 0.24 0.54 -1.23 0.00 0.00 174.94 174.43 1pit n ARG 20 N 5.64 0.46 -4.33 2.79 5.12 0.33 -4.90 116.66 121.77 1pit n ARG 20 Ca 0.17 -3.39 -0.17 0.00 -1.93 0.00 0.00 57.85 52.53 1pit n ARG 20 Cb 0.39 2.48 -0.10 0.00 -1.16 0.00 0.00 32.46 34.06 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 -3.28 1.56 -0.13 -1.55 1.51 -0.23 -0.10 117.35 115.12 1pit s TYR 21 Ca 0.34 -0.88 -0.30 0.00 -1.01 0.00 0.00 57.07 55.22 1pit s TYR 21 Cb 0.02 -0.89 0.09 0.00 -0.11 0.00 0.00 41.96 41.07 1pit s TYR 21 CO 0.24 0.00 0.82 -0.59 -1.11 0.00 0.00 175.55 174.91 1pit s PHE 22 N -3.37 -0.56 -0.20 2.71 -0.71 0.12 -0.26 117.98 115.71 1pit s PHE 22 Ca 0.27 1.05 -0.29 0.00 -1.04 0.00 0.00 56.93 56.92 1pit s PHE 22 Cb 0.05 0.40 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 1pit s PHE 22 CO 0.08 -0.46 1.49 -0.47 -1.34 0.00 0.00 175.22 174.51 1pit s TYR 23 N -0.87 2.35 -0.68 3.49 6.14 -1.26 -0.97 117.35 125.55 1pit s TYR 23 Ca -0.06 0.64 -0.11 0.00 0.64 0.00 0.00 57.07 58.19 1pit s TYR 23 Cb -0.01 -3.86 0.18 0.00 0.42 0.00 0.00 41.96 38.69 1pit s TYR 23 CO 0.05 -2.59 0.58 1.21 0.64 0.00 0.00 175.55 175.44 1pit s ASN 24 N 3.33 6.18 0.46 4.32 3.84 -1.06 -4.69 114.94 127.32 1pit s ASN 24 Ca 0.65 -2.44 0.23 0.00 0.21 0.00 0.00 52.86 51.51 1pit s ASN 24 Cb -0.24 -2.10 1.24 0.00 -0.55 0.00 0.00 41.25 39.60 1pit s ASN 24 CO 0.25 -0.60 1.66 0.00 -2.79 0.00 0.00 177.10 175.62 1pit h ALA 25 N 7.92 1.19 0.00 1.71 0.00 -1.83 0.52 119.26 128.76 1pit h ALA 25 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1pit h ALA 25 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1pit h ALA 25 CO 0.81 -0.19 -0.84 -0.22 0.00 0.00 0.00 179.25 178.82 1pit h LYS 26 N 0.00 0.00 -0.00 0.00 1.63 -1.95 -3.35 116.57 112.90 1pit h LYS 26 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pit h LYS 26 Cb 0.45 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1pit h LYS 26 CO 0.00 0.33 -0.20 0.00 -3.45 0.00 0.00 179.45 176.13 1pit n ALA 27 N -2.27 2.70 0.00 5.00 0.00 -0.10 -5.13 120.51 120.71 1pit n ALA 27 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1pit n ALA 27 Cb 0.74 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.91 -1.57 7.00 0.00 0.00 0.16 -5.02 105.19 106.67 1pit n GLY 28 Ca 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1pit n GLY 28 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1pit n LEU 29 N -1.69 0.00 -4.03 0.99 -0.00 -1.26 -4.07 117.00 106.93 1pit n LEU 29 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 1pit n LEU 29 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.25 1pit n LEU 29 CO 0.00 -0.01 -0.49 0.00 -0.00 0.00 0.00 177.39 176.90 1pit s GLN 31 N 1.09 1.92 0.51 0.00 -0.21 -0.14 -4.89 119.66 117.95 1pit s GLN 31 Ca -0.05 -2.07 -0.10 0.00 0.02 0.00 0.00 55.36 53.17 1pit s GLN 31 Cb -0.14 -1.64 -0.05 0.00 1.00 0.00 0.00 33.01 32.17 1pit s GLN 31 CO -0.03 -0.01 0.89 0.95 -2.12 0.00 0.00 175.29 174.97 1pit s THR 32 N -2.69 4.76 0.26 -0.19 -4.23 -1.26 -0.70 115.64 111.58 1pit s THR 32 Ca 0.34 0.66 -0.19 0.00 -1.18 0.00 0.00 61.69 61.33 1pit s THR 32 Cb 0.08 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 70.12 1pit s THR 32 CO 0.18 -0.85 0.63 0.72 -0.54 0.00 0.00 174.62 174.76 1pit s PHE 33 N -2.78 -0.04 -0.12 3.99 -0.71 0.86 -4.88 117.98 114.30 1pit s PHE 33 Ca 0.52 -0.37 -0.19 0.00 -1.04 0.00 0.00 56.93 55.85 1pit s PHE 33 Cb -0.10 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 1pit s PHE 33 CO 0.43 -1.13 0.53 0.08 -1.34 0.00 0.00 175.22 173.79 1pit s VAL 34 N -3.94 5.14 0.17 -2.49 1.01 -1.26 -0.52 120.40 118.51 1pit s VAL 34 Ca 0.14 1.06 0.09 0.00 0.00 0.00 0.00 61.98 63.27 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 0.06 0.28 -0.12 -0.47 0.00 0.00 0.00 175.10 174.85 1pit s TYR 35 N 0.85 2.60 0.00 5.22 5.04 0.47 -4.62 117.35 126.91 1pit s TYR 35 Ca 0.28 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.68 1pit s TYR 35 Cb -0.16 -1.29 0.00 0.00 0.35 0.00 0.00 41.96 40.86 1pit s TYR 35 CO 0.12 0.49 0.08 0.41 -1.34 0.00 0.00 175.55 175.31 1pit n GLY 36 N 0.21 -1.66 0.00 8.97 0.00 0.57 0.16 105.19 113.45 1pit n GLY 36 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.54 0.00 3.64 -0.02 0.00 -1.26 -3.63 105.19 104.45 1pit n GLY 37 Ca 0.00 0.00 -0.06 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 2.27 -4.81 -1.71 0.00 3.00 -1.26 -4.76 116.66 109.38 1pit n ARG 39 Ca -0.13 0.51 -0.38 0.00 -0.00 0.00 0.00 57.85 57.86 1pit n ARG 39 Cb 0.56 -4.57 0.06 0.00 0.00 0.00 0.00 32.46 28.51 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 -3.92 1.09 -2.20 5.13 0.00 -1.26 -4.94 120.51 114.41 1pit n ALA 40 Ca -0.01 0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 1pit n ALA 40 Cb 0.54 -2.30 0.04 0.00 0.00 0.00 0.00 19.45 17.73 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 -3.14 2.24 0.12 0.00 3.01 -1.26 -5.05 119.74 115.67 1pit s LYS 41 Ca 0.79 -1.85 -0.16 0.00 -1.01 0.00 0.00 55.97 53.74 1pit s LYS 41 Cb -0.40 -2.40 -0.02 0.00 -1.01 0.00 0.00 37.83 34.01 1pit s LYS 41 CO 0.44 -0.81 1.62 0.00 0.51 0.00 0.00 175.35 177.10 1pit h ARG 42 N 0.38 0.62 -3.65 1.68 2.47 -1.96 -3.28 114.38 110.63 1pit h ARG 42 Ca -0.32 -0.15 -0.53 0.00 -1.26 0.00 0.00 59.98 57.72 1pit h ARG 42 Cb 1.30 -0.08 0.02 0.00 -1.65 0.00 0.00 29.97 29.56 1pit h ARG 42 CO 0.47 0.66 2.84 -1.71 0.56 0.00 0.00 179.97 182.79 1pit n ASN 43 N -4.57 4.99 -3.20 7.04 2.85 -1.26 -4.66 115.26 116.45 1pit n ASN 43 Ca -0.01 -2.51 0.04 0.00 -0.11 0.00 0.00 54.58 51.99 1pit n ASN 43 Cb 0.21 -1.25 -0.01 0.00 1.24 0.00 0.00 39.78 39.97 1pit n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1pit s ASN 44 N 3.51 -1.26 0.39 1.20 3.84 -1.24 -4.74 114.94 116.64 1pit s ASN 44 Ca 0.50 0.88 0.06 0.00 0.21 0.00 0.00 52.86 54.51 1pit s ASN 44 Cb 0.13 2.09 -0.08 0.00 -0.55 0.00 0.00 41.25 42.85 1pit s ASN 44 CO -0.01 -0.24 0.02 -0.36 -2.79 0.00 0.00 177.10 173.72 1pit s PHE 45 N 2.87 2.37 -0.07 0.43 0.08 0.64 -4.96 117.98 119.34 1pit s PHE 45 Ca 0.16 -0.74 0.21 0.00 0.12 0.00 0.00 56.93 56.69 1pit s PHE 45 Cb -0.14 -1.64 -0.30 0.00 -0.57 0.00 0.00 43.02 40.36 1pit s PHE 45 CO -0.20 0.34 0.47 1.17 -0.10 0.00 0.00 175.22 176.90 1pit n LYS 46 N -0.89 0.66 -3.93 0.44 4.81 -1.26 -1.07 118.16 116.91 1pit n LYS 46 Ca -0.04 -0.15 -0.09 0.00 -0.87 0.00 0.00 58.31 57.16 1pit n LYS 46 Cb 0.67 -1.54 -0.08 0.00 0.02 0.00 0.00 35.03 34.09 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 -4.72 0.22 0.33 3.14 1.04 -1.26 -4.79 113.70 107.66 1pit s SER 47 Ca -0.08 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 55.69 1pit s SER 47 Cb 0.13 0.28 0.58 0.00 0.10 0.00 0.00 66.02 67.11 1pit s SER 47 CO 0.89 -0.64 1.87 0.00 0.98 0.00 0.00 173.24 176.35 1pit h ALA 48 N 3.08 1.36 0.18 5.32 0.00 -1.93 -1.25 119.26 126.02 1pit h ALA 48 Ca -0.34 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1pit h ALA 48 Cb 1.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1pit h ALA 48 CO 0.57 0.45 -0.23 1.49 0.00 0.00 0.00 179.25 181.53 1pit h GLU 49 N 0.54 -0.44 -0.23 0.00 4.81 -1.98 0.14 114.58 117.42 1pit h GLU 49 Ca 0.12 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1pit h GLU 49 Cb 0.31 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1pit h GLU 49 CO 0.01 -0.29 0.02 0.22 -0.73 0.00 0.00 179.01 178.23 1pit h ASP 50 N -0.46 0.39 -0.62 1.04 1.82 -1.92 0.57 116.42 117.24 1pit h ASP 50 Ca 0.01 -0.29 0.10 0.00 -0.39 0.00 0.00 57.03 56.47 1pit h ASP 50 Cb 0.45 -0.10 -0.12 0.00 0.68 0.00 0.00 39.33 40.24 1pit h ASP 50 CO -0.08 0.58 -0.36 0.00 -1.61 0.00 0.00 179.24 177.76 1pit h MET 52 N -0.17 -0.72 -0.98 0.00 2.86 -0.42 -2.88 114.93 112.62 1pit h MET 52 Ca 0.23 0.05 0.28 0.00 -2.06 0.00 0.00 59.70 58.20 1pit h MET 52 Cb 0.56 0.16 -0.14 0.00 0.06 0.00 0.00 31.60 32.24 1pit h MET 52 CO -0.71 -0.44 0.51 0.00 1.06 0.00 0.00 176.91 177.34 1pit h ARG 53 N -0.85 0.36 -0.83 1.72 3.08 -0.50 0.68 114.38 118.05 1pit h ARG 53 Ca -0.08 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1pit h ARG 53 Cb 0.61 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1pit h ARG 53 CO 0.13 0.24 0.44 1.15 -1.07 0.00 0.00 179.97 180.86 1pit h THR 54 N 0.37 1.24 0.00 2.04 2.02 -0.75 -3.38 112.91 114.46 1pit h THR 54 Ca 0.68 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1pit h THR 54 Cb 1.45 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1pit h THR 54 CO -0.58 0.28 0.00 0.00 0.37 0.00 0.00 175.52 175.59 1pit n GLY 56 N 3.08 4.15 2.71 0.00 0.00 0.20 -4.36 105.19 110.96 1pit n GLY 56 Ca 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 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 3.80 -0.95 0.00 -0.02 0.00 -1.13 -4.22 105.19 102.67 1pit n GLY 57 Ca 0.67 0.66 0.00 0.00 0.00 0.00 0.00 46.02 47.35 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32