#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shp h ILE 2 N 0.00 0.17 -0.73 -1.33 3.07 -1.96 0.01 117.51 116.74 1shp h ILE 2 Ca 0.00 0.00 0.26 0.00 1.55 0.00 0.00 64.86 66.67 1shp h ILE 2 Cb 0.00 0.65 -0.13 0.00 -0.27 0.00 0.00 36.82 37.07 1shp h ILE 2 CO 0.00 0.00 0.24 0.00 -1.05 0.00 0.00 178.15 177.34 1shp h SER 4 N 0.00 0.00 -3.90 0.00 0.87 -1.34 -3.41 113.55 105.76 1shp h SER 4 Ca 0.55 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.61 1shp h SER 4 Cb 1.35 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.34 1shp h SER 4 CO -0.61 0.00 0.46 -1.61 -0.53 0.00 0.00 176.83 174.55 1shp s GLU 5 N -3.43 4.30 0.94 2.24 2.02 -0.26 -4.99 118.70 119.50 1shp s GLU 5 Ca 0.04 1.72 -0.16 0.00 0.02 0.00 0.00 54.97 56.59 1shp s GLU 5 Cb 0.09 -2.81 0.22 0.00 0.10 0.00 0.00 34.13 31.73 1shp s GLU 5 CO 0.50 -0.07 1.23 -0.35 0.02 0.00 0.00 175.26 176.59 1shp n PRO 6 N 0.41 -1.36 -1.92 0.39 -0.04 -1.26 -4.59 135.00 126.64 1shp n PRO 6 Ca 0.03 -1.90 -0.41 0.00 -0.04 0.00 0.00 63.50 61.17 1shp n PRO 6 Cb 0.47 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 1shp n PRO 6 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1shp s LYS 7 N -5.69 4.21 -0.03 0.54 2.20 -1.26 -4.94 119.74 114.77 1shp s LYS 7 Ca 0.70 2.41 -0.00 0.00 -0.36 0.00 0.00 55.97 58.72 1shp s LYS 7 Cb -0.02 -3.08 0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1shp s LYS 7 CO 0.50 -0.51 0.03 0.15 -0.36 0.00 0.00 175.35 175.15 1shp s LYS 8 N -0.29 0.05 0.00 4.03 1.02 -1.26 -5.11 119.74 118.18 1shp s LYS 8 Ca 0.62 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.79 1shp s LYS 8 Cb -0.44 -0.36 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 1shp s LYS 8 CO 0.44 -0.19 0.05 0.28 -0.92 0.00 0.00 175.35 175.01 1shp n VAL 9 N 4.36 0.00 0.00 3.17 0.31 -1.26 -4.72 118.33 120.19 1shp n VAL 9 Ca -0.23 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1shp n VAL 9 Cb 0.50 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 1shp n VAL 9 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1shp n GLY 10 N 2.09 -0.25 0.08 2.92 0.00 -1.23 -4.32 105.19 104.49 1shp n GLY 10 Ca 0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 1shp n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1shp h ARG 11 N 0.00 0.11 -7.09 1.61 2.47 -0.81 -3.45 114.38 107.22 1shp h ARG 11 Ca 0.00 -0.08 -0.49 0.00 -1.26 0.00 0.00 59.98 58.15 1shp h ARG 11 Cb 0.00 0.01 0.06 0.00 -1.65 0.00 0.00 29.97 28.39 1shp h ARG 11 CO 0.00 0.68 0.42 0.00 0.56 0.00 0.00 179.97 181.63 1shp n LYS 13 N -1.28 1.57 -1.97 0.00 4.76 -1.26 -4.39 118.16 115.59 1shp n LYS 13 Ca 0.11 -2.64 -0.37 0.00 -2.87 0.00 0.00 58.31 52.54 1shp n LYS 13 Cb 0.51 -1.56 0.03 0.00 -1.84 0.00 0.00 35.03 32.17 1shp n LYS 13 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1shp s GLY 14 N -2.72 2.81 -1.38 0.72 0.00 -1.26 -4.88 107.32 100.61 1shp s GLY 14 Ca 0.34 1.12 -0.14 0.00 0.00 0.00 0.00 44.72 46.04 1shp s GLY 14 CO 0.04 1.58 2.01 2.98 0.00 0.00 0.00 173.10 179.71 1shp n TYR 15 N -1.16 3.85 -3.30 1.90 9.36 -1.26 -3.14 117.16 123.41 1shp n TYR 15 Ca 0.11 -2.94 -0.47 0.00 3.32 0.00 0.00 57.90 57.93 1shp n TYR 15 Cb 0.47 -2.49 -0.03 0.00 -0.63 0.00 0.00 39.34 36.67 1shp n TYR 15 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1shp s PHE 16 N 3.04 3.57 0.06 2.98 0.40 -1.26 -5.02 117.98 121.75 1shp s PHE 16 Ca 0.48 -1.74 -0.31 0.00 -0.60 0.00 0.00 56.93 54.76 1shp s PHE 16 Cb 0.10 -3.84 -0.08 0.00 0.51 0.00 0.00 43.02 39.71 1shp s PHE 16 CO -0.03 -1.03 1.61 -1.25 0.70 0.00 0.00 175.22 175.23 1shp s PRO 17 N 0.75 4.21 0.36 0.24 0.04 -1.26 -0.69 135.00 138.65 1shp s PRO 17 Ca 0.14 2.28 0.04 0.00 0.04 0.00 0.00 61.00 63.50 1shp s PRO 17 Cb -0.16 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 1shp s PRO 17 CO -0.05 -0.71 0.15 1.03 0.04 0.00 0.00 177.00 177.46 1shp s ARG 18 N 2.57 1.79 -0.03 4.56 1.81 0.20 -4.92 118.95 124.93 1shp s ARG 18 Ca 0.72 -2.06 0.06 0.00 -1.72 0.00 0.00 55.73 52.74 1shp s ARG 18 Cb -0.39 -0.36 -0.02 0.00 -0.45 0.00 0.00 34.95 33.73 1shp s ARG 18 CO 0.31 -0.47 -0.22 -0.06 -0.68 0.00 0.00 175.30 174.18 1shp s PHE 19 N -3.37 2.45 0.11 -0.53 0.40 0.12 -0.15 117.98 117.02 1shp s PHE 19 Ca 0.30 -0.39 0.10 0.00 -0.60 0.00 0.00 56.93 56.34 1shp s PHE 19 Cb 0.04 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1shp s PHE 19 CO 0.17 0.00 -0.23 1.52 0.70 0.00 0.00 175.22 177.39 1shp s TYR 20 N -0.58 2.42 -0.62 0.36 1.13 0.09 -0.39 117.35 119.75 1shp s TYR 20 Ca 0.09 -0.33 -0.27 0.00 -1.41 0.00 0.00 57.07 55.15 1shp s TYR 20 Cb -0.11 -1.32 -0.02 0.00 -1.10 0.00 0.00 41.96 39.42 1shp s TYR 20 CO -0.00 0.32 1.81 0.12 -2.51 0.00 0.00 175.55 175.29 1shp s PHE 21 N -1.05 1.72 -1.14 -3.49 5.36 -1.26 -0.91 117.98 117.20 1shp s PHE 21 Ca 0.15 0.71 -0.22 0.00 -0.96 0.00 0.00 56.93 56.61 1shp s PHE 21 Cb -0.10 -4.14 -0.07 0.00 -0.34 0.00 0.00 43.02 38.36 1shp s PHE 21 CO 0.07 -2.29 1.91 -3.47 -1.46 0.00 0.00 175.22 169.98 1shp n ASP 22 N 12.43 3.31 0.29 6.13 -0.08 0.22 -4.71 116.55 134.15 1shp n ASP 22 Ca 0.19 -2.74 0.20 0.00 -1.51 0.00 0.00 54.79 50.93 1shp n ASP 22 Cb 0.52 -1.63 1.02 0.00 2.34 0.00 0.00 41.12 43.36 1shp n ASP 22 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1shp h SER 23 N 8.92 0.00 -0.49 1.67 0.87 -1.80 0.59 113.55 123.30 1shp h SER 23 Ca 0.30 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1shp h SER 23 Cb 0.87 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1shp h SER 23 CO 1.41 0.00 0.25 -0.33 -0.53 0.00 0.00 176.83 177.63 1shp h GLU 24 N 0.00 0.70 0.00 2.24 3.07 -1.91 -3.14 114.58 115.54 1shp h GLU 24 Ca 0.00 -0.09 -0.15 0.00 -0.50 0.00 0.00 59.36 58.62 1shp h GLU 24 Cb 0.08 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.83 1shp h GLU 24 CO 0.00 0.57 -1.71 0.25 -1.40 0.00 0.00 179.01 176.72 1shp n THR 25 N -4.63 0.87 -0.88 1.13 -2.24 -0.63 -4.99 114.28 102.91 1shp n THR 25 Ca 0.02 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1shp n THR 25 Cb 0.10 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1shp n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shp n GLY 26 N 1.41 0.46 3.90 3.38 0.00 0.19 -5.08 105.19 109.45 1shp n GLY 26 Ca -0.12 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 1shp n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shp s LYS 27 N -1.65 2.99 0.04 1.61 1.02 -0.07 -4.93 119.74 118.75 1shp s LYS 27 Ca 0.00 -1.08 -0.18 0.00 0.02 0.00 0.00 55.97 54.73 1shp s LYS 27 Cb 0.00 -2.66 -0.06 0.00 -0.52 0.00 0.00 37.83 34.59 1shp s LYS 27 CO 0.00 0.20 0.53 0.00 -0.92 0.00 0.00 175.35 175.16 1shp s THR 29 N -0.92 0.01 0.60 0.00 2.01 -0.09 -4.84 115.64 112.41 1shp s THR 29 Ca 0.28 -0.10 -0.17 0.00 0.31 0.00 0.00 61.69 62.01 1shp s THR 29 Cb -0.18 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1shp s THR 29 CO 0.17 -0.06 1.10 -2.16 -0.69 0.00 0.00 174.62 172.98 1shp s PRO 30 N -0.58 3.15 0.21 4.92 0.04 -1.26 -0.73 135.00 140.75 1shp s PRO 30 Ca -0.07 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 1shp s PRO 30 Cb -0.03 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1shp s PRO 30 CO 0.05 -0.97 0.51 -0.59 0.04 0.00 0.00 177.00 176.04 1shp s PHE 31 N -2.20 0.00 -0.20 0.56 -0.71 0.79 -4.82 117.98 111.40 1shp s PHE 31 Ca 0.68 -0.36 -0.12 0.00 -1.04 0.00 0.00 56.93 56.08 1shp s PHE 31 Cb -0.20 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.91 1shp s PHE 31 CO 0.35 -0.94 0.23 0.42 -1.34 0.00 0.00 175.22 173.94 1shp s ILE 32 N -3.91 5.33 0.00 -4.49 1.09 -1.26 -0.63 121.20 117.33 1shp s ILE 32 Ca 0.12 0.37 0.00 0.00 -1.10 0.00 0.00 60.65 60.05 1shp s ILE 32 Cb -0.01 -3.57 0.00 0.00 -1.06 0.00 0.00 42.46 37.82 1shp s ILE 32 CO 0.00 0.37 0.00 0.00 -0.10 0.00 0.00 174.94 175.21 1shp n TYR 33 N 3.92 0.00 -1.30 3.97 9.36 0.13 -4.51 117.16 128.73 1shp n TYR 33 Ca -0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.09 1shp n TYR 33 Cb 0.52 -0.09 0.00 0.00 -0.63 0.00 0.00 39.34 39.14 1shp n TYR 33 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1shp n GLY 34 N 2.33 -2.51 0.17 2.98 0.00 -1.19 -3.46 105.19 103.52 1shp n GLY 34 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 1shp n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shp n GLY 35 N 0.11 -1.73 3.67 -0.02 0.00 -1.26 -4.35 105.19 101.61 1shp n GLY 35 Ca 0.00 0.61 -0.43 0.00 0.00 0.00 0.00 46.02 46.20 1shp n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shp n GLY 37 N 3.59 0.92 3.68 0.00 0.00 -1.26 -0.21 105.19 111.90 1shp n GLY 37 Ca 0.13 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1shp n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1shp s GLY 38 N -2.11 1.64 0.00 -0.02 0.00 -1.18 -4.12 107.32 101.53 1shp s GLY 38 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.94 1shp s GLY 38 CO 0.00 0.69 0.00 1.16 0.00 0.00 0.00 173.10 174.95 1shp n ASN 39 N -4.09 1.88 0.02 1.64 6.94 -1.26 -5.05 115.26 115.33 1shp n ASN 39 Ca 0.08 -0.92 -0.21 0.00 -0.02 0.00 0.00 54.58 53.51 1shp n ASN 39 Cb 0.53 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.82 1shp n ASN 39 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1shp h GLY 40 N 0.00 0.29 -6.84 4.83 0.00 -1.97 -3.39 103.07 95.98 1shp h GLY 40 Ca 0.00 -0.74 -0.57 0.00 0.00 0.00 0.00 47.33 46.02 1shp h GLY 40 CO 0.00 0.65 2.07 -2.01 0.00 0.00 0.00 176.54 177.24 1shp n ASN 41 N -3.99 3.14 -3.18 0.19 5.15 -1.26 -4.69 115.26 110.62 1shp n ASN 41 Ca -0.22 -2.74 0.02 0.00 -0.60 0.00 0.00 54.58 51.04 1shp n ASN 41 Cb 0.87 -1.44 -0.01 0.00 -0.53 0.00 0.00 39.78 38.68 1shp n ASN 41 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1shp s ASN 42 N 5.06 -1.44 0.00 1.20 2.47 -1.26 -4.53 114.94 116.45 1shp s ASN 42 Ca 0.59 -0.21 0.06 0.00 0.42 0.00 0.00 52.86 53.72 1shp s ASN 42 Cb 0.09 1.94 -0.02 0.00 -1.45 0.00 0.00 41.25 41.81 1shp s ASN 42 CO 0.09 -0.26 -0.19 -0.36 -3.72 0.00 0.00 177.10 172.66 1shp s PHE 43 N 2.45 1.73 0.41 0.43 0.08 0.48 -4.93 117.98 118.64 1shp s PHE 43 Ca 0.12 -0.34 0.13 0.00 0.12 0.00 0.00 56.93 56.96 1shp s PHE 43 Cb -0.08 -1.09 0.98 0.00 -0.57 0.00 0.00 43.02 42.25 1shp s PHE 43 CO -0.19 0.00 1.94 1.49 -0.10 0.00 0.00 175.22 178.36 1shp h GLU 44 N 5.44 0.47 -4.17 0.44 4.57 -1.92 0.34 114.58 119.75 1shp h GLU 44 Ca -0.39 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 57.64 1shp h GLU 44 Cb 1.15 -0.11 -0.15 0.00 -0.16 0.00 0.00 28.75 29.48 1shp h GLU 44 CO 0.47 0.31 -0.63 0.95 -1.18 0.00 0.00 179.01 178.93 1shp s THR 45 N -5.46 0.21 0.20 0.32 -4.23 -1.26 -4.55 115.64 100.86 1shp s THR 45 Ca -0.08 -1.71 -0.12 0.00 -1.18 0.00 0.00 61.69 58.59 1shp s THR 45 Cb 0.20 -1.50 0.15 0.00 1.34 0.00 0.00 72.50 72.70 1shp s THR 45 CO 0.76 -0.94 1.68 0.25 -0.54 0.00 0.00 174.62 175.84 1shp h LEU 46 N 3.08 -0.18 -0.97 4.79 5.85 -1.94 -1.02 115.31 124.93 1shp h LEU 46 Ca -0.34 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.63 1shp h LEU 46 Cb 1.15 0.21 -0.14 0.00 0.37 0.00 0.00 40.66 42.25 1shp h LEU 46 CO 0.64 -0.06 -0.46 1.57 -0.34 0.00 0.00 178.44 179.80 1shp n HIS 47 N -5.22 -0.16 -0.01 1.25 -0.00 -1.26 0.47 115.22 110.30 1shp n HIS 47 Ca 0.07 1.20 -0.13 0.00 0.46 0.00 0.00 57.72 59.32 1shp n HIS 47 Cb 0.29 -0.75 -0.10 0.00 -0.12 0.00 0.00 29.99 29.32 1shp n HIS 47 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1shp h GLN 48 N 0.00 -0.02 -0.79 1.57 1.08 -1.85 0.13 115.11 115.23 1shp h GLN 48 Ca 0.26 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.66 1shp h GLN 48 Cb 0.51 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 1shp h GLN 48 CO -0.94 0.48 0.54 0.00 -0.95 0.00 0.00 178.83 177.96 1shp n ARG 50 N -4.43 0.00 -0.33 0.00 3.00 0.18 -3.28 116.66 111.80 1shp n ARG 50 Ca 0.16 0.37 0.16 0.00 -0.00 0.00 0.00 57.85 58.54 1shp n ARG 50 Cb 0.69 -1.02 0.33 0.00 0.00 0.00 0.00 32.46 32.46 1shp n ARG 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1shp h ALA 51 N -2.00 1.32 -0.06 5.13 0.00 -0.42 0.37 119.26 123.60 1shp h ALA 51 Ca 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 1shp h ALA 51 Cb 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1shp h ALA 51 CO 0.00 -0.60 -0.69 0.82 0.00 0.00 0.00 179.25 178.78 1shp h ILE 52 N 0.06 1.40 0.00 0.00 1.08 -1.13 -3.41 117.51 115.51 1shp h ILE 52 Ca 0.62 -2.15 -0.23 0.00 -0.39 0.00 0.00 64.86 62.71 1shp h ILE 52 Cb 1.33 2.12 -0.03 0.00 -3.07 0.00 0.00 36.82 37.16 1shp h ILE 52 CO -0.83 0.64 -1.69 0.00 -0.69 0.00 0.00 178.15 175.57 1shp s ARG 54 N -2.41 1.39 0.00 0.00 0.52 0.10 -5.05 118.95 113.50 1shp s ARG 54 Ca -0.24 -0.21 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 1shp s ARG 54 Cb 0.08 -1.48 0.17 0.00 0.52 0.00 0.00 34.95 34.25 1shp s ARG 54 CO 0.32 -0.25 0.66 0.00 0.02 0.00 0.00 175.30 176.04