#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 1.12 0.09 -0.14 0.04 -1.26 -5.00 135.00 129.85 1pit s PRO 2 Ca 0.00 0.43 -0.13 0.00 0.04 0.00 0.00 61.00 61.33 1pit s PRO 2 Cb 0.00 -1.83 -0.19 0.00 0.04 0.00 0.00 34.50 32.52 1pit s PRO 2 CO 0.00 -2.24 1.25 0.38 0.04 0.00 0.00 177.00 176.44 1pit h ASP 3 N -1.53 0.94 0.16 6.66 2.03 -2.02 -3.27 116.42 119.37 1pit h ASP 3 Ca -0.51 -0.68 -0.00 0.00 -0.73 0.00 0.00 57.03 55.11 1pit h ASP 3 Cb 1.32 -0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1pit h ASP 3 CO 0.60 1.48 -0.01 2.19 -1.03 0.00 0.00 179.24 182.47 1pit h PHE 4 N 0.48 0.00 0.00 4.15 -5.15 -1.99 0.54 116.94 114.96 1pit h PHE 4 Ca -0.09 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.68 1pit h PHE 4 Cb 1.54 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.71 1pit h PHE 4 CO 0.09 0.01 0.09 0.00 -2.00 0.00 0.00 178.31 176.51 1pit n LEU 6 N -2.56 1.81 -4.77 0.00 4.32 0.18 -4.34 117.00 111.64 1pit n LEU 6 Ca -0.02 -0.65 -0.41 0.00 -0.02 0.00 0.00 56.01 54.92 1pit n LEU 6 Cb 0.14 -0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 41.90 1pit n LEU 6 CO 0.13 0.32 1.05 -1.61 -1.22 0.00 0.00 177.39 176.06 1pit s GLU 7 N -1.93 4.13 0.70 3.23 0.41 0.37 -4.89 118.70 120.71 1pit s GLU 7 Ca 0.36 2.37 -0.11 0.00 -0.41 0.00 0.00 54.97 57.18 1pit s GLU 7 Cb 0.20 -2.94 0.01 0.00 -1.78 0.00 0.00 34.13 29.62 1pit s GLU 7 CO 0.31 -0.44 1.06 -1.25 -0.49 0.00 0.00 175.26 174.46 1pit s PRO 8 N -2.05 2.90 -1.16 0.39 0.04 -1.26 -4.92 135.00 128.94 1pit s PRO 8 Ca 0.53 0.89 -0.22 0.00 0.04 0.00 0.00 61.00 62.24 1pit s PRO 8 Cb -0.43 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 1pit s PRO 8 CO 0.57 -1.10 1.83 -1.25 0.04 0.00 0.00 177.00 177.08 1pit s PRO 9 N -5.08 3.06 -0.24 0.56 0.04 -1.26 -4.95 135.00 127.13 1pit s PRO 9 Ca 0.58 -1.28 -0.26 0.00 0.04 0.00 0.00 61.00 60.08 1pit s PRO 9 Cb -0.14 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.09 1pit s PRO 9 CO 0.55 -3.20 0.90 -0.47 0.04 0.00 0.00 177.00 174.82 1pit s TYR 10 N 8.25 3.32 0.08 0.56 5.04 -1.26 -4.95 117.35 128.38 1pit s TYR 10 Ca 0.62 1.24 -0.08 0.00 -2.44 0.00 0.00 57.07 56.41 1pit s TYR 10 Cb -0.00 -3.13 -0.24 0.00 0.35 0.00 0.00 41.96 38.93 1pit s TYR 10 CO 0.07 -0.44 1.16 1.15 -1.34 0.00 0.00 175.55 176.16 1pit h THR 11 N 5.44 1.41 0.00 4.34 2.02 -1.93 -3.44 112.91 120.76 1pit h THR 11 Ca -0.22 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.20 1pit h THR 11 Cb 1.08 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 1pit h THR 11 CO 0.91 0.82 0.00 0.61 0.37 0.00 0.00 175.52 178.23 1pit n GLY 12 N 1.38 0.31 2.66 2.16 0.00 -1.26 -1.07 105.19 109.36 1pit n GLY 12 Ca -0.10 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 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 0.52 2.33 -4.46 1.61 -0.04 -1.26 -4.79 135.00 128.91 1pit n PRO 13 Ca 0.00 -1.77 -0.21 0.00 -0.04 0.00 0.00 63.50 61.48 1pit n PRO 13 Cb 0.00 -2.68 -0.14 0.00 -0.04 0.00 0.00 33.50 30.64 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 2.27 0.69 -0.74 0.00 5.02 -1.26 -4.80 118.16 119.34 1pit n LYS 15 Ca -0.16 0.28 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 1pit n LYS 15 Cb 0.55 -1.75 0.15 0.00 -0.02 0.00 0.00 35.03 33.95 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pit n ALA 16 N -2.76 -2.50 -3.66 7.82 0.00 -1.26 -5.05 120.51 113.10 1pit n ALA 16 Ca -0.24 -0.73 -0.21 0.00 0.00 0.00 0.00 53.44 52.26 1pit n ALA 16 Cb 1.05 -1.85 -0.17 0.00 0.00 0.00 0.00 19.45 18.49 1pit n ALA 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pit s ARG 17 N -3.85 0.91 -0.10 0.00 1.81 -1.17 -4.37 118.95 112.19 1pit s ARG 17 Ca 0.59 -0.10 -0.03 0.00 -1.72 0.00 0.00 55.73 54.47 1pit s ARG 17 Cb -0.20 -0.97 0.04 0.00 -0.45 0.00 0.00 34.95 33.37 1pit s ARG 17 CO 0.65 -0.13 0.08 0.42 -0.68 0.00 0.00 175.30 175.65 1pit s ILE 18 N 1.16 -0.12 0.17 1.52 1.01 0.85 -4.98 121.20 120.80 1pit s ILE 18 Ca -0.07 0.18 -0.32 0.00 0.00 0.00 0.00 60.65 60.45 1pit s ILE 18 Cb -0.14 -0.34 -0.10 0.00 0.01 0.00 0.00 42.46 41.89 1pit s ILE 18 CO -0.01 -0.01 1.65 -0.63 0.00 0.00 0.00 174.94 175.94 1pit s ILE 19 N 2.17 2.47 0.23 2.92 -1.09 -1.26 -0.30 121.20 126.35 1pit s ILE 19 Ca 0.04 0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.75 1pit s ILE 19 Cb -0.14 -3.18 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 1pit s ILE 19 CO -0.06 0.02 0.16 -0.13 -1.23 0.00 0.00 174.94 173.70 1pit s ARG 20 N 1.44 1.33 0.32 2.79 1.81 0.22 -4.87 118.95 121.99 1pit s ARG 20 Ca 0.73 -1.72 0.06 0.00 -1.72 0.00 0.00 55.73 53.07 1pit s ARG 20 Cb -0.45 0.25 -0.06 0.00 -0.45 0.00 0.00 34.95 34.23 1pit s ARG 20 CO 0.32 -0.44 -0.01 0.71 -0.68 0.00 0.00 175.30 175.20 1pit s TYR 21 N -3.98 2.07 -0.05 -0.53 1.51 -0.39 -0.24 117.35 115.73 1pit s TYR 21 Ca 0.39 -0.78 -0.22 0.00 -1.01 0.00 0.00 57.07 55.45 1pit s TYR 21 Cb 0.06 -1.29 0.05 0.00 -0.11 0.00 0.00 41.96 40.66 1pit s TYR 21 CO 0.15 0.22 0.49 -0.59 -1.11 0.00 0.00 175.55 174.72 1pit s PHE 22 N -3.05 -0.43 -0.05 2.71 -0.71 0.09 -0.24 117.98 116.30 1pit s PHE 22 Ca 0.33 0.78 -0.30 0.00 -1.04 0.00 0.00 56.93 56.70 1pit s PHE 22 Cb 0.07 0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 42.06 1pit s PHE 22 CO 0.14 -0.46 1.53 -0.47 -1.34 0.00 0.00 175.22 174.62 1pit s TYR 23 N -1.04 2.36 -0.58 3.49 5.04 -1.26 -0.66 117.35 124.69 1pit s TYR 23 Ca -0.11 0.48 -0.14 0.00 -2.44 0.00 0.00 57.07 54.86 1pit s TYR 23 Cb -0.03 -3.80 0.14 0.00 0.35 0.00 0.00 41.96 38.63 1pit s TYR 23 CO 0.06 -3.19 0.52 1.21 -1.34 0.00 0.00 175.55 172.81 1pit s ASN 24 N 2.70 6.19 0.58 4.32 2.47 0.27 -4.62 114.94 126.85 1pit s ASN 24 Ca 0.68 -1.98 0.25 0.00 0.42 0.00 0.00 52.86 52.23 1pit s ASN 24 Cb -0.32 -2.17 1.35 0.00 -1.45 0.00 0.00 41.25 38.66 1pit s ASN 24 CO 0.27 -0.78 1.74 0.00 -3.72 0.00 0.00 177.10 174.61 1pit h ALA 25 N 8.60 1.33 -0.07 1.71 0.00 -1.83 0.41 119.26 129.42 1pit h ALA 25 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1pit h ALA 25 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1pit h ALA 25 CO 0.96 -0.33 -0.53 -0.22 0.00 0.00 0.00 179.25 179.13 1pit h LYS 26 N 0.00 0.18 0.00 0.00 3.11 -1.93 -3.21 116.57 114.73 1pit h LYS 26 Ca 0.00 -0.11 -0.05 0.00 -2.81 0.00 0.00 60.65 57.67 1pit h LYS 26 Cb 0.70 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 1pit h LYS 26 CO 0.00 0.67 -1.93 0.00 -2.81 0.00 0.00 179.45 175.39 1pit n ALA 27 N -2.46 2.51 -1.04 5.00 0.00 0.04 -5.00 120.51 119.55 1pit n ALA 27 Ca -0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 1pit n ALA 27 Cb 0.56 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 1.50 0.52 3.23 0.00 0.00 0.12 -5.02 105.19 105.55 1pit n GLY 28 Ca -0.08 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.35 1.95 -0.01 0.99 2.96 -1.18 -4.42 118.68 118.62 1pit s LEU 29 Ca 0.00 -1.22 -0.29 0.00 -0.22 0.00 0.00 54.13 52.40 1pit s LEU 29 Cb 0.00 0.04 -0.03 0.00 0.50 0.00 0.00 46.19 46.70 1pit s LEU 29 CO 0.00 -0.63 0.96 0.00 -1.32 0.00 0.00 176.35 175.36 1pit s GLN 31 N 1.09 1.05 0.35 0.00 -0.21 0.17 -4.92 119.66 117.20 1pit s GLN 31 Ca 0.51 -1.51 0.01 0.00 0.02 0.00 0.00 55.36 54.39 1pit s GLN 31 Cb -0.21 -0.11 -0.03 0.00 1.00 0.00 0.00 33.01 33.67 1pit s GLN 31 CO 0.26 -0.17 0.55 0.95 -2.12 0.00 0.00 175.29 174.76 1pit s THR 32 N -3.78 4.95 0.20 -0.19 -4.23 -1.26 -0.73 115.64 110.60 1pit s THR 32 Ca 0.24 -0.51 -0.23 0.00 -1.18 0.00 0.00 61.69 60.02 1pit s THR 32 Cb 0.07 -3.80 0.05 0.00 1.34 0.00 0.00 72.50 70.15 1pit s THR 32 CO 0.03 -0.51 0.69 0.72 -0.54 0.00 0.00 174.62 175.01 1pit s PHE 33 N -2.33 -0.36 -0.21 3.99 -0.71 0.67 -4.89 117.98 114.15 1pit s PHE 33 Ca 0.41 0.04 -0.27 0.00 -1.04 0.00 0.00 56.93 56.06 1pit s PHE 33 Cb -0.10 0.63 0.00 0.00 -1.21 0.00 0.00 43.02 42.34 1pit s PHE 33 CO 0.36 -1.00 0.95 0.08 -1.34 0.00 0.00 175.22 174.27 1pit s VAL 34 N -3.76 4.76 0.12 -2.49 1.01 -1.26 -0.61 120.40 118.17 1pit s VAL 34 Ca 0.06 1.85 0.01 0.00 0.00 0.00 0.00 61.98 63.90 1pit s VAL 34 Cb -0.03 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1pit s VAL 34 CO -0.03 -0.10 0.27 -0.47 0.00 0.00 0.00 175.10 174.76 1pit s TYR 35 N 2.83 3.50 -0.03 5.22 5.04 0.59 -4.60 117.35 129.90 1pit s TYR 35 Ca 0.41 0.19 -0.06 0.00 -2.44 0.00 0.00 57.07 55.17 1pit s TYR 35 Cb -0.16 -1.72 -0.03 0.00 0.35 0.00 0.00 41.96 40.40 1pit s TYR 35 CO 0.08 0.53 0.34 0.78 -1.34 0.00 0.00 175.55 175.94 1pit h GLY 36 N 2.46 -0.21 0.00 8.97 0.00 -1.30 0.24 103.07 113.23 1pit h GLY 36 Ca -0.47 0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1pit h GLY 36 CO 0.71 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.78 1pit n GLY 37 N 1.04 1.69 3.93 4.60 0.00 -1.26 -3.05 105.19 112.14 1pit n GLY 37 Ca -0.03 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.59 -6.12 -1.41 0.00 5.12 -1.26 -4.58 116.66 107.82 1pit n ARG 39 Ca -0.05 0.67 -0.37 0.00 -1.93 0.00 0.00 57.85 56.18 1pit n ARG 39 Cb 0.54 -5.23 0.07 0.00 -1.16 0.00 0.00 32.46 26.67 1pit n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pit n ALA 40 N -4.23 -0.56 -2.11 7.54 0.00 -1.26 -4.78 120.51 115.12 1pit n ALA 40 Ca -0.07 -0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 1pit n ALA 40 Cb 0.58 -2.02 0.05 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.92 2.25 0.13 0.00 3.01 -1.26 -5.05 119.74 115.90 1pit s LYS 41 Ca 0.72 -1.76 -0.09 0.00 -1.01 0.00 0.00 55.97 53.83 1pit s LYS 41 Cb -0.37 -2.53 -0.07 0.00 -1.01 0.00 0.00 37.83 33.84 1pit s LYS 41 CO 0.52 -0.88 1.37 0.00 0.51 0.00 0.00 175.35 176.87 1pit h ARG 42 N 0.23 0.72 -3.27 1.68 3.08 -1.97 -3.33 114.38 111.51 1pit h ARG 42 Ca -0.30 -0.54 -0.61 0.00 0.07 0.00 0.00 59.98 58.60 1pit h ARG 42 Cb 1.29 0.10 0.02 0.00 0.08 0.00 0.00 29.97 31.46 1pit h ARG 42 CO 0.43 1.16 3.44 -1.71 -1.07 0.00 0.00 179.97 182.22 1pit n ASN 43 N -3.93 7.10 -3.26 7.04 5.15 -1.26 -4.66 115.26 121.43 1pit n ASN 43 Ca -0.06 -2.55 -0.20 0.00 -0.60 0.00 0.00 54.58 51.17 1pit n ASN 43 Cb 0.70 -1.45 -0.07 0.00 -0.53 0.00 0.00 39.78 38.43 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 2.68 0.86 0.41 1.20 3.84 -1.25 -4.41 114.94 118.27 1pit s ASN 44 Ca 0.60 -2.47 0.02 0.00 0.21 0.00 0.00 52.86 51.22 1pit s ASN 44 Cb 0.16 0.24 -0.01 0.00 -0.55 0.00 0.00 41.25 41.09 1pit s ASN 44 CO -0.05 -0.17 0.61 -0.36 -2.79 0.00 0.00 177.10 174.34 1pit s PHE 45 N 0.54 3.21 -0.01 0.43 0.08 0.67 -4.86 117.98 118.05 1pit s PHE 45 Ca 0.28 0.13 -0.19 0.00 0.12 0.00 0.00 56.93 57.27 1pit s PHE 45 Cb -0.02 -2.20 -0.33 0.00 -0.57 0.00 0.00 43.02 39.89 1pit s PHE 45 CO -0.12 -0.24 0.96 0.87 -0.10 0.00 0.00 175.22 176.59 1pit h LYS 46 N 0.55 0.43 -3.92 0.44 1.79 -1.94 -1.02 116.57 112.89 1pit h LYS 46 Ca -0.46 -0.72 -0.20 0.00 -2.18 0.00 0.00 60.65 57.09 1pit h LYS 46 Cb 1.25 0.27 -0.08 0.00 -1.58 0.00 0.00 32.23 32.09 1pit h LYS 46 CO 0.57 1.34 -0.15 -1.54 -1.08 0.00 0.00 179.45 178.59 1pit s SER 47 N -7.28 0.55 0.47 0.86 1.04 -1.26 -4.61 113.70 103.47 1pit s SER 47 Ca -0.11 -1.31 0.19 0.00 0.48 0.00 0.00 55.95 55.19 1pit s SER 47 Cb 0.03 0.65 1.15 0.00 0.10 0.00 0.00 66.02 67.95 1pit s SER 47 CO 0.89 -1.28 2.01 0.00 0.98 0.00 0.00 173.24 175.84 1pit h ALA 48 N 2.15 1.54 0.55 5.32 0.00 -1.94 -0.67 119.26 126.22 1pit h ALA 48 Ca -0.28 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1pit h ALA 48 Cb 1.24 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1pit h ALA 48 CO 0.39 0.21 -0.27 1.49 0.00 0.00 0.00 179.25 181.07 1pit h GLU 49 N 0.00 -0.71 -0.37 0.00 4.81 -1.99 0.12 114.58 116.43 1pit h GLU 49 Ca -0.00 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1pit h GLU 49 Cb 0.34 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1pit h GLU 49 CO 0.02 -0.45 0.04 0.38 -0.73 0.00 0.00 179.01 178.27 1pit h ASP 50 N -0.80 0.61 -0.34 1.04 2.03 -1.95 0.29 116.42 117.30 1pit h ASP 50 Ca -0.08 -0.28 0.08 0.00 -0.73 0.00 0.00 57.03 56.02 1pit h ASP 50 Cb 0.59 -0.16 -0.08 0.00 -0.83 0.00 0.00 39.33 38.85 1pit h ASP 50 CO 0.12 0.74 -0.26 0.00 -1.03 0.00 0.00 179.24 178.81 1pit h MET 52 N -0.22 0.11 -0.85 0.00 2.86 -0.53 0.16 114.93 116.45 1pit h MET 52 Ca 0.17 -0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.96 1pit h MET 52 Cb 0.48 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.02 1pit h MET 52 CO -0.47 0.07 0.42 0.00 1.06 0.00 0.00 176.91 177.99 1pit h ARG 53 N 0.11 0.56 0.19 1.72 2.47 -0.32 0.25 114.38 119.35 1pit h ARG 53 Ca 0.04 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1pit h ARG 53 Cb 0.00 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1pit h ARG 53 CO -0.03 0.37 -0.09 1.15 0.56 0.00 0.00 179.97 181.93 1pit h THR 54 N 0.57 0.92 0.00 2.04 2.02 -0.41 -3.42 112.91 114.63 1pit h THR 54 Ca 0.48 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.85 1pit h THR 54 Cb 0.73 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1pit h THR 54 CO -0.40 0.16 -1.53 0.00 0.37 0.00 0.00 175.52 174.13 1pit n GLY 56 N 2.19 2.74 0.00 0.00 0.00 0.81 -4.49 105.19 106.44 1pit n GLY 56 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.08 0.00 -0.02 0.00 -1.26 -4.63 105.19 99.36 1pit n GLY 57 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32