#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 3.12 0.40 2.89 0.04 -1.26 -4.98 135.00 135.21 1pit s PRO 2 Ca 0.00 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.20 1pit s PRO 2 Cb 0.00 -2.01 0.84 0.00 0.04 0.00 0.00 34.50 33.36 1pit s PRO 2 CO 0.00 -0.96 2.02 -0.44 0.04 0.00 0.00 177.00 177.66 1pit h ASP 3 N -0.12 0.53 0.39 6.66 3.32 -2.03 -0.76 116.42 124.40 1pit h ASP 3 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1pit h ASP 3 Cb 1.22 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1pit h ASP 3 CO 0.57 0.36 0.00 2.19 -1.72 0.00 0.00 179.24 180.64 1pit h PHE 4 N 0.61 0.00 0.00 4.55 -5.15 -1.99 -1.38 116.94 113.59 1pit h PHE 4 Ca 0.22 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.99 1pit h PHE 4 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.27 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 -0.88 1.19 -4.77 0.00 4.32 -0.52 -3.98 117.00 112.36 1pit n LEU 6 Ca 0.08 -1.30 -0.41 0.00 -0.02 0.00 0.00 56.01 54.36 1pit n LEU 6 Cb 0.04 -0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 1pit n LEU 6 CO 0.06 0.32 1.03 -1.61 -1.22 0.00 0.00 177.39 175.97 1pit s GLU 7 N -0.73 4.26 0.65 3.23 2.02 -0.29 -4.84 118.70 123.01 1pit s GLU 7 Ca 0.03 2.32 -0.13 0.00 0.02 0.00 0.00 54.97 57.21 1pit s GLU 7 Cb 0.02 -3.02 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 1pit s GLU 7 CO 0.00 -0.31 1.05 -1.25 0.02 0.00 0.00 175.26 174.78 1pit s PRO 8 N -1.91 3.12 -1.10 0.39 0.04 -1.26 -4.90 135.00 129.38 1pit s PRO 8 Ca 0.50 1.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.35 1pit s PRO 8 Cb -0.42 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 1pit s PRO 8 CO 0.56 -0.96 1.77 -1.25 0.04 0.00 0.00 177.00 177.16 1pit s PRO 9 N -4.69 3.13 -0.33 0.56 0.04 -1.26 -4.96 135.00 127.50 1pit s PRO 9 Ca 0.60 -1.12 -0.26 0.00 0.04 0.00 0.00 61.00 60.26 1pit s PRO 9 Cb -0.14 -5.29 0.01 0.00 0.04 0.00 0.00 34.50 29.11 1pit s PRO 9 CO 0.48 -2.98 0.92 -0.47 0.04 0.00 0.00 177.00 174.99 1pit s TYR 10 N 7.69 3.15 0.13 0.56 5.04 -1.26 -4.94 117.35 127.71 1pit s TYR 10 Ca 0.60 0.93 -0.13 0.00 -2.44 0.00 0.00 57.07 56.03 1pit s TYR 10 Cb -0.01 -3.50 -0.04 0.00 0.35 0.00 0.00 41.96 38.76 1pit s TYR 10 CO 0.03 -0.71 1.49 1.15 -1.34 0.00 0.00 175.55 176.17 1pit h THR 11 N 5.71 1.28 0.00 4.34 2.02 -1.93 -3.44 112.91 120.89 1pit h THR 11 Ca -0.23 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.60 1pit h THR 11 Cb 1.08 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1pit h THR 11 CO 0.96 0.45 0.00 0.61 0.37 0.00 0.00 175.52 177.91 1pit n GLY 12 N -0.03 -0.02 2.66 2.16 0.00 -1.26 -0.15 105.19 108.55 1pit n GLY 12 Ca -0.02 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 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 0.69 2.44 -4.66 1.61 -0.04 -1.26 -4.62 135.00 129.15 1pit n PRO 13 Ca 0.00 -1.88 -0.24 0.00 -0.04 0.00 0.00 63.50 61.34 1pit n PRO 13 Cb 0.00 -2.75 -0.14 0.00 -0.04 0.00 0.00 33.50 30.56 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 2.22 3.90 -4.22 0.00 5.02 -1.26 -4.70 118.16 119.12 1pit n LYS 15 Ca -0.16 -3.11 -0.13 0.00 -2.02 0.00 0.00 58.31 52.88 1pit n LYS 15 Cb 0.54 -2.47 -0.10 0.00 -0.02 0.00 0.00 35.03 32.98 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 -1.39 1.29 -0.03 7.82 0.00 -1.26 -5.13 121.76 123.06 1pit s ALA 16 Ca 0.55 -1.76 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 1pit s ALA 16 Cb 0.25 1.39 0.02 0.00 0.00 0.00 0.00 23.12 24.78 1pit s ALA 16 CO -0.14 -0.59 0.07 1.03 0.00 0.00 0.00 175.76 176.13 1pit s ARG 17 N -4.06 0.03 -0.13 0.00 3.00 -1.25 -4.42 118.95 112.13 1pit s ARG 17 Ca 0.39 0.19 -0.04 0.00 0.00 0.00 0.00 55.73 56.28 1pit s ARG 17 Cb 0.06 -0.13 0.06 0.00 0.00 0.00 0.00 34.95 34.95 1pit s ARG 17 CO 0.14 -0.11 0.21 0.42 0.00 0.00 0.00 175.30 175.96 1pit s ILE 18 N 0.71 -0.32 0.20 1.52 1.01 0.16 -4.95 121.20 119.53 1pit s ILE 18 Ca -0.06 0.21 -0.32 0.00 0.00 0.00 0.00 60.65 60.49 1pit s ILE 18 Cb -0.08 -0.44 -0.11 0.00 0.01 0.00 0.00 42.46 41.84 1pit s ILE 18 CO -0.03 0.05 1.67 -0.63 0.00 0.00 0.00 174.94 176.00 1pit s ILE 19 N 2.34 2.18 0.28 2.92 -1.09 -1.26 -0.21 121.20 126.36 1pit s ILE 19 Ca 0.03 0.13 0.03 0.00 -2.23 0.00 0.00 60.65 58.62 1pit s ILE 19 Cb -0.13 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 1pit s ILE 19 CO -0.08 0.01 0.24 -0.13 -1.23 0.00 0.00 174.94 173.75 1pit s ARG 20 N 1.04 1.55 0.26 2.79 1.81 0.20 -4.86 118.95 121.75 1pit s ARG 20 Ca 0.73 -1.85 0.03 0.00 -1.72 0.00 0.00 55.73 52.92 1pit s ARG 20 Cb -0.48 0.31 -0.05 0.00 -0.45 0.00 0.00 34.95 34.28 1pit s ARG 20 CO 0.33 -0.56 0.04 0.71 -0.68 0.00 0.00 175.30 175.14 1pit s TYR 21 N -3.70 1.63 -0.09 -0.53 1.51 0.79 -0.15 117.35 116.82 1pit s TYR 21 Ca 0.39 -1.01 -0.30 0.00 -1.01 0.00 0.00 57.07 55.14 1pit s TYR 21 Cb 0.04 -0.98 0.07 0.00 -0.11 0.00 0.00 41.96 40.98 1pit s TYR 21 CO 0.21 -0.13 0.68 -0.59 -1.11 0.00 0.00 175.55 174.62 1pit s PHE 22 N -3.51 -0.68 -0.10 2.71 -0.71 0.37 -0.47 117.98 115.60 1pit s PHE 22 Ca 0.33 1.26 -0.30 0.00 -1.04 0.00 0.00 56.93 57.18 1pit s PHE 22 Cb 0.07 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 1pit s PHE 22 CO 0.12 -0.57 1.43 -0.47 -1.34 0.00 0.00 175.22 174.39 1pit s TYR 23 N -0.93 2.52 -0.57 3.49 6.14 -1.26 -0.68 117.35 126.06 1pit s TYR 23 Ca -0.09 0.67 -0.16 0.00 0.64 0.00 0.00 57.07 58.12 1pit s TYR 23 Cb -0.01 -3.68 0.13 0.00 0.42 0.00 0.00 41.96 38.82 1pit s TYR 23 CO 0.08 -2.63 0.56 1.21 0.64 0.00 0.00 175.55 175.41 1pit s ASN 24 N 2.47 6.23 0.62 4.32 2.47 -0.50 -4.59 114.94 125.97 1pit s ASN 24 Ca 0.63 -1.80 0.30 0.00 0.42 0.00 0.00 52.86 52.42 1pit s ASN 24 Cb -0.28 -2.23 1.64 0.00 -1.45 0.00 0.00 41.25 38.94 1pit s ASN 24 CO 0.22 -0.88 1.92 0.00 -3.72 0.00 0.00 177.10 174.64 1pit h ALA 25 N 8.86 1.26 -0.01 1.71 0.00 -1.86 0.21 119.26 129.44 1pit h ALA 25 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1pit h ALA 25 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1pit h ALA 25 CO 1.03 -0.26 -0.10 1.17 0.00 0.00 0.00 179.25 181.09 1pit n LYS 26 N -2.81 0.95 0.00 0.00 3.00 -1.26 -4.15 118.16 113.88 1pit n LYS 26 Ca -0.02 -0.40 0.00 0.00 -0.00 0.00 0.00 58.31 57.89 1pit n LYS 26 Cb 0.32 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.86 1pit n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pit n ALA 27 N -0.68 2.13 -0.77 3.14 0.00 -0.04 -5.07 120.51 119.22 1pit n ALA 27 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1pit n ALA 27 Cb 0.28 0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 3.17 1.11 3.83 0.00 0.00 0.53 -5.09 105.19 108.74 1pit n GLY 28 Ca 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 1pit n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1pit s LEU 29 N -0.24 -0.02 -0.21 0.99 2.34 -1.25 -5.03 118.68 115.26 1pit s LEU 29 Ca 0.00 -0.96 -0.18 0.00 0.06 0.00 0.00 54.13 53.05 1pit s LEU 29 Cb 0.00 2.62 -0.03 0.00 -0.56 0.00 0.00 46.19 48.22 1pit s LEU 29 CO 0.00 -1.46 0.51 0.00 -1.06 0.00 0.00 176.35 174.34 1pit s GLN 31 N 1.77 1.21 0.37 0.00 -0.21 0.15 -4.87 119.66 118.07 1pit s GLN 31 Ca 0.23 -1.56 -0.02 0.00 0.02 0.00 0.00 55.36 54.03 1pit s GLN 31 Cb -0.15 -0.69 -0.04 0.00 1.00 0.00 0.00 33.01 33.13 1pit s GLN 31 CO 0.09 0.02 0.60 0.95 -2.12 0.00 0.00 175.29 174.83 1pit s THR 32 N -3.32 5.05 0.21 -0.19 -4.23 -1.26 -0.48 115.64 111.43 1pit s THR 32 Ca 0.22 -0.23 -0.22 0.00 -1.18 0.00 0.00 61.69 60.28 1pit s THR 32 Cb 0.03 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 70.08 1pit s THR 32 CO 0.05 -0.58 0.69 0.72 -0.54 0.00 0.00 174.62 174.95 1pit s PHE 33 N -2.37 -0.34 -0.07 3.99 -0.71 0.78 -4.88 117.98 114.38 1pit s PHE 33 Ca 0.42 0.01 -0.26 0.00 -1.04 0.00 0.00 56.93 56.06 1pit s PHE 33 Cb -0.10 0.64 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 1pit s PHE 33 CO 0.37 -1.03 0.80 0.08 -1.34 0.00 0.00 175.22 174.10 1pit s VAL 34 N -3.79 4.97 0.06 -2.49 1.01 -1.26 -0.62 120.40 118.27 1pit s VAL 34 Ca 0.07 1.65 0.06 0.00 0.00 0.00 0.00 61.98 63.75 1pit s VAL 34 Cb -0.03 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1pit s VAL 34 CO -0.02 0.19 -0.10 -0.47 0.00 0.00 0.00 175.10 174.69 1pit s TYR 35 N 1.10 2.77 0.00 5.22 5.04 0.70 -4.59 117.35 127.59 1pit s TYR 35 Ca 0.42 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 1pit s TYR 35 Cb -0.18 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.62 1pit s TYR 35 CO 0.20 0.38 0.30 0.41 -1.34 0.00 0.00 175.55 175.49 1pit n GLY 36 N 1.16 -0.81 0.00 8.97 0.00 0.79 0.38 105.19 115.68 1pit n GLY 36 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 1.10 1.10 3.93 -0.02 0.00 -1.25 -3.85 105.19 106.20 1pit n GLY 37 Ca 0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.60 -6.60 -1.10 0.00 5.12 -1.26 -4.52 116.66 106.69 1pit n ARG 39 Ca 0.02 0.83 -0.33 0.00 -1.93 0.00 0.00 57.85 56.44 1pit n ARG 39 Cb 0.60 -5.80 0.13 0.00 -1.16 0.00 0.00 32.46 26.23 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 -3.26 1.83 0.53 7.54 0.00 -1.26 -4.77 121.76 122.37 1pit s ALA 40 Ca 0.49 0.84 0.04 0.00 0.00 0.00 0.00 51.96 53.34 1pit s ALA 40 Cb -0.22 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.44 1pit s ALA 40 CO 0.61 -2.31 0.33 1.63 0.00 0.00 0.00 175.76 176.02 1pit n LYS 41 N -3.32 0.71 0.03 0.00 4.01 -1.26 -5.06 118.16 113.26 1pit n LYS 41 Ca 0.13 -3.40 -0.20 0.00 -0.51 0.00 0.00 58.31 54.34 1pit n LYS 41 Cb 0.50 0.46 -0.10 0.00 -0.51 0.00 0.00 35.03 35.39 1pit n LYS 41 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pit h ARG 42 N 0.00 0.69 -3.32 1.97 3.08 -1.97 -3.34 114.38 111.49 1pit h ARG 42 Ca -0.35 -0.71 -0.52 0.00 0.07 0.00 0.00 59.98 58.47 1pit h ARG 42 Cb 1.24 0.19 0.02 0.00 0.08 0.00 0.00 29.97 31.51 1pit h ARG 42 CO 0.56 1.30 3.12 -1.71 -1.07 0.00 0.00 179.97 182.17 1pit n ASN 43 N -3.91 6.37 -3.49 7.04 5.15 -1.26 -4.70 115.26 120.46 1pit n ASN 43 Ca -0.10 -2.45 -0.28 0.00 -0.60 0.00 0.00 54.58 51.14 1pit n ASN 43 Cb 0.84 -1.30 -0.13 0.00 -0.53 0.00 0.00 39.78 38.66 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 2.96 3.14 0.37 1.20 3.84 -1.25 -4.45 114.94 120.75 1pit s ASN 44 Ca 0.53 -1.72 0.08 0.00 0.21 0.00 0.00 52.86 51.96 1pit s ASN 44 Cb 0.14 -0.32 -0.05 0.00 -0.55 0.00 0.00 41.25 40.47 1pit s ASN 44 CO -0.04 -0.37 0.15 -0.36 -2.79 0.00 0.00 177.10 173.69 1pit s PHE 45 N 1.59 2.64 -0.81 0.43 0.08 0.37 -4.92 117.98 117.37 1pit s PHE 45 Ca 0.14 -0.47 0.15 0.00 0.12 0.00 0.00 56.93 56.86 1pit s PHE 45 Cb -0.19 -1.76 -0.14 0.00 -0.57 0.00 0.00 43.02 40.35 1pit s PHE 45 CO -0.17 0.28 0.67 1.63 -0.10 0.00 0.00 175.22 177.52 1pit n LYS 46 N -1.17 1.97 -3.59 0.44 5.02 -1.26 -0.14 118.16 119.43 1pit n LYS 46 Ca -0.02 -0.11 -0.12 0.00 -2.02 0.00 0.00 58.31 56.04 1pit n LYS 46 Cb 0.63 -1.22 -0.05 0.00 -0.02 0.00 0.00 35.03 34.37 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 -2.35 -0.36 0.19 4.39 1.04 -1.26 -4.86 113.70 110.49 1pit s SER 47 Ca 0.07 -0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.34 1pit s SER 47 Cb 0.12 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.85 1pit s SER 47 CO 0.59 -0.80 1.79 0.00 0.98 0.00 0.00 173.24 175.81 1pit h ALA 48 N 2.55 0.89 -0.27 5.32 0.00 -1.95 -1.61 119.26 124.20 1pit h ALA 48 Ca -0.32 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1pit h ALA 48 Cb 1.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1pit h ALA 48 CO 0.43 0.44 0.16 1.05 0.00 0.00 0.00 179.25 181.33 1pit h GLU 49 N 0.96 0.32 -0.39 0.00 4.11 -1.98 0.74 114.58 118.33 1pit h GLU 49 Ca 0.24 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.58 1pit h GLU 49 Cb 0.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1pit h GLU 49 CO -0.03 0.21 -0.03 -0.44 0.07 0.00 0.00 179.01 178.79 1pit h ASP 50 N 0.33 0.71 -0.32 3.06 3.32 -1.95 0.27 116.42 121.84 1pit h ASP 50 Ca 0.10 -0.33 0.07 0.00 0.02 0.00 0.00 57.03 56.90 1pit h ASP 50 Cb -0.01 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.27 1pit h ASP 50 CO -0.04 0.87 -0.26 0.00 -1.72 0.00 0.00 179.24 178.09 1pit h MET 52 N -0.22 1.01 -0.95 0.00 2.86 -0.42 0.35 114.93 117.55 1pit h MET 52 Ca 0.16 -0.19 0.10 0.00 -2.06 0.00 0.00 59.70 57.72 1pit h MET 52 Cb 0.48 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 31.90 1pit h MET 52 CO -0.45 0.84 0.59 0.00 1.06 0.00 0.00 176.91 178.95 1pit h ARG 53 N 0.96 0.93 0.15 1.72 3.08 -0.05 0.49 114.38 121.66 1pit h ARG 53 Ca 0.22 -0.06 -0.30 0.00 0.07 0.00 0.00 59.98 59.91 1pit h ARG 53 Cb 0.22 -0.21 0.03 0.00 0.08 0.00 0.00 29.97 30.08 1pit h ARG 53 CO -0.02 0.62 -1.29 1.15 -1.07 0.00 0.00 179.97 179.36 1pit h THR 54 N 0.96 1.31 -0.08 2.04 2.02 -0.33 -3.43 112.91 115.40 1pit h THR 54 Ca 0.46 -2.58 -0.17 0.00 0.77 0.00 0.00 66.41 64.88 1pit h THR 54 Cb 0.40 2.79 -0.27 0.00 -1.74 0.00 0.00 68.15 69.34 1pit h THR 54 CO -0.25 0.78 -0.68 0.00 0.37 0.00 0.00 175.52 175.75 1pit h GLY 56 N 1.00 0.00 -7.06 0.00 0.00 -0.14 -3.42 103.07 93.46 1pit h GLY 56 Ca -0.36 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.41 1pit h GLY 56 CO -0.06 0.00 1.43 -0.32 0.00 0.00 0.00 176.54 177.59 1pit s GLY 57 N -4.26 0.46 0.00 4.60 0.00 -1.26 -5.06 107.32 101.80 1pit s GLY 57 Ca -0.02 0.41 0.22 0.00 0.00 0.00 0.00 44.72 45.33 1pit s GLY 57 CO 0.65 3.64 1.68 0.00 0.00 0.00 0.00 173.10 179.08