#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 1.09 0.14 2.89 0.04 -1.26 -4.99 135.00 132.91 1pit s PRO 2 Ca 0.00 0.60 -0.14 0.00 0.04 0.00 0.00 61.00 61.50 1pit s PRO 2 Cb 0.00 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.74 1pit s PRO 2 CO 0.00 -2.30 1.63 0.38 0.04 0.00 0.00 177.00 176.75 1pit h ASP 3 N -1.58 0.70 0.07 6.66 2.03 -2.04 -3.15 116.42 119.10 1pit h ASP 3 Ca -0.51 -0.25 -0.00 0.00 -0.73 0.00 0.00 57.03 55.54 1pit h ASP 3 Cb 1.30 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1pit h ASP 3 CO 0.58 0.77 -0.02 2.19 -1.03 0.00 0.00 179.24 181.73 1pit h PHE 4 N 0.60 0.00 0.00 4.15 -5.15 -2.00 0.75 116.94 115.30 1pit h PHE 4 Ca 0.14 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.91 1pit h PHE 4 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.52 1pit h PHE 4 CO 0.02 0.02 0.00 0.00 -2.00 0.00 0.00 178.31 176.35 1pit n LEU 6 N -1.03 0.82 -4.70 0.00 4.32 0.26 -4.16 117.00 112.51 1pit n LEU 6 Ca 0.03 -0.82 -0.33 0.00 -0.02 0.00 0.00 56.01 54.87 1pit n LEU 6 Cb 0.02 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 41.94 1pit n LEU 6 CO 0.02 0.20 0.77 -1.61 -1.22 0.00 0.00 177.39 175.56 1pit s GLU 7 N -0.28 1.65 0.50 3.23 2.02 -0.80 -4.89 118.70 120.13 1pit s GLU 7 Ca 0.00 1.76 -0.09 0.00 0.02 0.00 0.00 54.97 56.66 1pit s GLU 7 Cb 0.00 -1.78 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 1pit s GLU 7 CO 0.00 -2.20 0.86 -1.25 0.02 0.00 0.00 175.26 172.68 1pit s PRO 8 N -4.13 3.64 -0.85 0.39 0.04 -1.26 -4.89 135.00 127.94 1pit s PRO 8 Ca 0.73 0.45 -0.25 0.00 0.04 0.00 0.00 61.00 61.98 1pit s PRO 8 Cb -0.29 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1pit s PRO 8 CO 0.50 -0.26 1.93 -1.25 0.04 0.00 0.00 177.00 177.96 1pit s PRO 9 N -4.60 2.57 -0.72 0.56 0.04 -1.26 -4.92 135.00 126.67 1pit s PRO 9 Ca 0.51 -0.13 -0.25 0.00 0.04 0.00 0.00 61.00 61.16 1pit s PRO 9 Cb -0.10 -4.94 0.05 0.00 0.04 0.00 0.00 34.50 29.54 1pit s PRO 9 CO 0.43 -3.26 1.17 -0.47 0.04 0.00 0.00 177.00 174.91 1pit s TYR 10 N 9.88 2.44 0.28 0.56 5.04 -1.26 -4.90 117.35 129.38 1pit s TYR 10 Ca 0.69 -0.27 0.01 0.00 -2.44 0.00 0.00 57.07 55.07 1pit s TYR 10 Cb -0.08 -4.50 0.58 0.00 0.35 0.00 0.00 41.96 38.31 1pit s TYR 10 CO 0.03 -1.91 1.79 1.15 -1.34 0.00 0.00 175.55 175.27 1pit h THR 11 N 6.02 0.79 0.00 4.34 2.02 -1.91 -3.44 112.91 120.74 1pit h THR 11 Ca -0.27 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1pit h THR 11 Cb 1.06 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1pit h THR 11 CO 1.25 0.14 0.00 0.61 0.37 0.00 0.00 175.52 177.89 1pit n GLY 12 N -1.33 0.93 0.00 2.16 0.00 -1.26 -0.59 105.19 105.11 1pit n GLY 12 Ca 0.19 -1.99 0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 1.32 0.18 -2.75 1.61 -0.04 -1.26 -4.82 135.00 129.25 1pit n PRO 13 Ca 0.00 0.13 -0.38 0.00 -0.04 0.00 0.00 63.50 63.20 1pit n PRO 13 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 0.91 2.04 -0.93 0.00 5.02 -1.26 -4.53 118.16 119.40 1pit n LYS 15 Ca 0.00 -1.54 -0.29 0.00 -2.02 0.00 0.00 58.31 54.47 1pit n LYS 15 Cb 0.49 -1.46 0.22 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.81 0.33 -0.08 7.82 0.00 -1.26 -5.06 121.76 121.71 1pit s ALA 16 Ca 0.34 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 1pit s ALA 16 Cb 0.20 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 20.25 1pit s ALA 16 CO 0.30 -3.36 0.09 1.03 0.00 0.00 0.00 175.76 173.81 1pit s ARG 17 N -4.87 -0.03 -0.07 0.00 0.52 -1.24 -4.26 118.95 109.01 1pit s ARG 17 Ca 0.67 0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 56.18 1pit s ARG 17 Cb -0.19 -0.75 0.03 0.00 0.52 0.00 0.00 34.95 34.55 1pit s ARG 17 CO 0.60 -0.40 0.01 0.42 0.02 0.00 0.00 175.30 175.94 1pit s ILE 18 N 2.19 0.33 0.03 1.52 1.01 0.89 -4.95 121.20 122.22 1pit s ILE 18 Ca 0.04 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 1pit s ILE 18 Cb -0.13 -0.49 -0.08 0.00 0.01 0.00 0.00 42.46 41.77 1pit s ILE 18 CO -0.05 0.25 1.77 -0.63 0.00 0.00 0.00 174.94 176.28 1pit s ILE 19 N 1.95 3.11 0.39 2.92 -1.09 -1.26 -0.23 121.20 127.00 1pit s ILE 19 Ca 0.04 0.35 0.04 0.00 -2.23 0.00 0.00 60.65 58.85 1pit s ILE 19 Cb -0.12 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.51 1pit s ILE 19 CO -0.05 -0.02 0.14 -0.13 -1.23 0.00 0.00 174.94 173.65 1pit s ARG 20 N 3.59 1.86 0.35 2.79 1.81 0.03 -4.90 118.95 124.48 1pit s ARG 20 Ca 0.79 -2.12 0.06 0.00 -1.72 0.00 0.00 55.73 52.75 1pit s ARG 20 Cb -0.40 -0.51 -0.07 0.00 -0.45 0.00 0.00 34.95 33.52 1pit s ARG 20 CO 0.35 -0.47 -0.00 0.71 -0.68 0.00 0.00 175.30 175.21 1pit s TYR 21 N -3.28 2.23 -0.03 -0.53 1.51 -0.55 -0.17 117.35 116.53 1pit s TYR 21 Ca 0.27 -0.74 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 1pit s TYR 21 Cb 0.03 -1.46 0.07 0.00 -0.11 0.00 0.00 41.96 40.50 1pit s TYR 21 CO 0.16 0.30 0.69 -0.59 -1.11 0.00 0.00 175.55 174.99 1pit s PHE 22 N -2.93 -0.63 -0.06 2.71 -0.71 0.57 -0.25 117.98 116.68 1pit s PHE 22 Ca 0.34 1.01 -0.30 0.00 -1.04 0.00 0.00 56.93 56.94 1pit s PHE 22 Cb 0.08 0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 42.27 1pit s PHE 22 CO 0.16 -0.63 1.52 -0.47 -1.34 0.00 0.00 175.22 174.46 1pit s TYR 23 N -1.50 2.38 -0.55 3.49 6.14 -1.26 -0.88 117.35 125.16 1pit s TYR 23 Ca -0.09 0.51 -0.10 0.00 0.64 0.00 0.00 57.07 58.02 1pit s TYR 23 Cb -0.00 -3.78 0.14 0.00 0.42 0.00 0.00 41.96 38.74 1pit s TYR 23 CO 0.07 -3.09 0.45 1.21 0.64 0.00 0.00 175.55 174.82 1pit s ASN 24 N 2.68 5.89 0.66 4.32 2.47 -0.23 -4.73 114.94 126.00 1pit s ASN 24 Ca 0.67 -2.12 0.35 0.00 0.42 0.00 0.00 52.86 52.19 1pit s ASN 24 Cb -0.31 -2.06 1.90 0.00 -1.45 0.00 0.00 41.25 39.34 1pit s ASN 24 CO 0.26 -0.67 2.09 0.00 -3.72 0.00 0.00 177.10 175.06 1pit h ALA 25 N 8.27 1.30 -0.00 1.71 0.00 -1.83 0.27 119.26 128.97 1pit h ALA 25 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pit h ALA 25 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pit h ALA 25 CO 0.86 -0.23 -0.06 1.17 0.00 0.00 0.00 179.25 180.99 1pit n LYS 26 N -3.07 0.22 -0.04 0.00 0.00 -1.26 -3.59 118.16 110.41 1pit n LYS 26 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 58.31 58.22 1pit n LYS 26 Cb 0.28 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.77 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 -1.37 1.84 -0.02 3.14 0.00 -0.31 -5.07 120.51 118.72 1pit n ALA 27 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1pit n ALA 27 Cb 0.30 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 3.09 1.87 3.85 0.00 0.00 0.80 -5.10 105.19 109.70 1pit n GLY 28 Ca -0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.00 0.03 -0.23 0.99 0.05 -1.21 -5.01 118.68 113.30 1pit s LEU 29 Ca 0.00 -0.96 -0.15 0.00 0.05 0.00 0.00 54.13 53.07 1pit s LEU 29 Cb 0.00 2.47 -0.04 0.00 -2.05 0.00 0.00 46.19 46.57 1pit s LEU 29 CO 0.00 -1.37 0.38 0.00 -0.55 0.00 0.00 176.35 174.81 1pit s GLN 31 N 1.59 1.23 0.51 0.00 -0.21 -0.06 -4.85 119.66 117.88 1pit s GLN 31 Ca 0.17 -1.60 -0.09 0.00 0.02 0.00 0.00 55.36 53.86 1pit s GLN 31 Cb -0.15 -0.50 -0.05 0.00 1.00 0.00 0.00 33.01 33.31 1pit s GLN 31 CO 0.08 -0.09 0.88 0.95 -2.12 0.00 0.00 175.29 175.00 1pit s THR 32 N -3.49 4.79 0.22 -0.19 -4.23 -1.26 -0.31 115.64 111.17 1pit s THR 32 Ca 0.25 0.58 -0.23 0.00 -1.18 0.00 0.00 61.69 61.11 1pit s THR 32 Cb 0.05 -3.83 0.04 0.00 1.34 0.00 0.00 72.50 70.10 1pit s THR 32 CO 0.06 -0.87 0.81 0.72 -0.54 0.00 0.00 174.62 174.80 1pit s PHE 33 N -2.81 -0.18 -0.10 3.99 -0.71 0.76 -4.88 117.98 114.06 1pit s PHE 33 Ca 0.51 -0.20 -0.23 0.00 -1.04 0.00 0.00 56.93 55.97 1pit s PHE 33 Cb -0.10 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.35 1pit s PHE 33 CO 0.44 -1.05 0.72 0.08 -1.34 0.00 0.00 175.22 174.07 1pit s VAL 34 N -3.65 5.02 0.15 -2.49 1.01 -1.26 -0.79 120.40 118.39 1pit s VAL 34 Ca 0.11 1.45 0.08 0.00 0.00 0.00 0.00 61.98 63.62 1pit s VAL 34 Cb -0.04 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1pit s VAL 34 CO 0.04 0.20 -0.08 -0.47 0.00 0.00 0.00 175.10 174.79 1pit s TYR 35 N 1.14 2.71 0.00 5.22 5.04 0.69 -4.70 117.35 127.44 1pit s TYR 35 Ca 0.37 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1pit s TYR 35 Cb -0.17 -1.35 0.00 0.00 0.35 0.00 0.00 41.96 40.78 1pit s TYR 35 CO 0.16 0.48 0.27 0.41 -1.34 0.00 0.00 175.55 175.54 1pit n GLY 36 N 0.24 -0.57 0.00 8.97 0.00 0.25 -0.08 105.19 114.00 1pit n GLY 36 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.04 0.00 3.59 -0.02 0.00 -1.25 -3.62 105.19 104.93 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 0.39 -3.60 -1.96 0.00 3.00 -1.26 -4.42 116.66 108.81 1pit n ARG 39 Ca -0.05 0.53 -0.42 0.00 -0.01 0.00 0.00 57.85 57.90 1pit n ARG 39 Cb 0.59 -4.79 -0.02 0.00 0.00 0.00 0.00 32.46 28.23 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 -3.72 3.69 0.70 7.54 0.00 -1.26 -4.73 121.76 123.97 1pit s ALA 40 Ca 0.10 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.40 1pit s ALA 40 Cb -0.03 -3.59 0.07 0.00 0.00 0.00 0.00 23.12 19.57 1pit s ALA 40 CO 0.84 -0.78 0.47 1.63 0.00 0.00 0.00 175.76 177.93 1pit n LYS 41 N 2.87 0.00 -0.07 0.00 4.76 -1.26 -5.00 118.16 119.47 1pit n LYS 41 Ca 0.09 -1.05 -0.08 0.00 -2.87 0.00 0.00 58.31 54.40 1pit n LYS 41 Cb 0.39 -0.39 0.08 0.00 -1.84 0.00 0.00 35.03 33.28 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 0.73 -3.00 1.97 3.08 -1.95 -3.34 114.38 111.87 1pit h ARG 42 Ca -0.15 -0.32 -0.53 0.00 0.07 0.00 0.00 59.98 59.04 1pit h ARG 42 Cb 0.51 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.56 1pit h ARG 42 CO 0.14 0.93 3.00 -1.71 -1.07 0.00 0.00 179.97 181.27 1pit n ASN 43 N -4.08 7.26 -3.30 7.04 2.85 -1.26 -4.70 115.26 119.07 1pit n ASN 43 Ca -0.01 -2.48 0.02 0.00 -0.11 0.00 0.00 54.58 52.00 1pit n ASN 43 Cb 0.47 -1.40 -0.02 0.00 1.24 0.00 0.00 39.78 40.06 1pit n ASN 43 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1pit s ASN 44 N 2.48 -1.19 0.31 1.20 -0.87 -1.26 -4.65 114.94 110.96 1pit s ASN 44 Ca 0.61 1.00 0.05 0.00 -1.57 0.00 0.00 52.86 52.95 1pit s ASN 44 Cb 0.17 2.11 -0.06 0.00 -0.02 0.00 0.00 41.25 43.45 1pit s ASN 44 CO -0.05 -0.25 0.01 -0.36 -2.57 0.00 0.00 177.10 173.89 1pit s PHE 45 N 2.84 1.97 -0.23 2.20 0.08 0.66 -4.97 117.98 120.54 1pit s PHE 45 Ca 0.13 -0.85 0.22 0.00 0.12 0.00 0.00 56.93 56.55 1pit s PHE 45 Cb -0.14 -1.24 -0.06 0.00 -0.57 0.00 0.00 43.02 41.00 1pit s PHE 45 CO -0.20 0.12 0.93 1.63 -0.10 0.00 0.00 175.22 177.60 1pit n LYS 46 N -0.65 0.59 -3.75 0.44 5.02 -1.26 -1.48 118.16 117.06 1pit n LYS 46 Ca -0.04 0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 1pit n LYS 46 Cb 0.65 -1.74 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 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 -5.05 -0.32 0.25 4.39 1.04 -1.26 -4.82 113.70 107.93 1pit s SER 47 Ca -0.02 -0.47 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 1pit s SER 47 Cb 0.11 0.66 0.29 0.00 0.10 0.00 0.00 66.02 67.19 1pit s SER 47 CO 0.82 -1.20 1.82 0.00 0.98 0.00 0.00 173.24 175.66 1pit h ALA 48 N 2.05 1.16 0.04 5.32 0.00 -1.93 -1.61 119.26 124.30 1pit h ALA 48 Ca -0.25 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1pit h ALA 48 Cb 1.27 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1pit h ALA 48 CO 0.30 0.60 -0.42 1.49 0.00 0.00 0.00 179.25 181.22 1pit h GLU 49 N 1.01 -0.58 -0.51 0.00 4.81 -1.96 0.13 114.58 117.48 1pit h GLU 49 Ca 0.23 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1pit h GLU 49 Cb 0.21 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1pit h GLU 49 CO -0.02 -0.39 0.26 0.22 -0.73 0.00 0.00 179.01 178.35 1pit h ASP 50 N -0.61 0.66 -0.44 1.04 3.58 -1.90 0.18 116.42 118.94 1pit h ASP 50 Ca 0.04 -0.12 0.09 0.00 0.42 0.00 0.00 57.03 57.46 1pit h ASP 50 Cb 0.66 -0.17 -0.09 0.00 1.72 0.00 0.00 39.33 41.46 1pit h ASP 50 CO -0.29 0.59 -0.13 0.00 -2.88 0.00 0.00 179.24 176.54 1pit h MET 52 N -0.02 -0.23 -0.94 0.00 1.85 0.79 0.17 114.93 116.55 1pit h MET 52 Ca 0.21 0.02 0.15 0.00 -0.61 0.00 0.00 59.70 59.46 1pit h MET 52 Cb 0.35 0.05 -0.08 0.00 0.43 0.00 0.00 31.60 32.35 1pit h MET 52 CO -0.46 -0.14 0.60 0.00 -0.40 0.00 0.00 176.91 176.51 1pit h ARG 53 N -0.25 0.75 -0.03 0.39 3.08 -0.49 0.33 114.38 118.16 1pit h ARG 53 Ca -0.02 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1pit h ARG 53 Cb 0.19 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1pit h ARG 53 CO 0.04 0.49 -0.19 1.15 -1.07 0.00 0.00 179.97 180.39 1pit h THR 54 N 0.77 1.50 0.00 2.04 2.02 -0.36 -3.42 112.91 115.45 1pit h THR 54 Ca 0.48 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1pit h THR 54 Cb 0.70 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1pit h THR 54 CO -0.24 0.48 -0.15 0.00 0.37 0.00 0.00 175.52 175.97 1pit n GLY 56 N 0.00 3.77 6.38 0.00 0.00 0.11 -4.86 105.19 110.59 1pit n GLY 56 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 3.20 1.59 0.00 -0.02 0.00 -1.26 -4.99 105.19 103.70 1pit n GLY 57 Ca 0.65 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32