#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 0.28 0.00 0.44 -2.65 -1.94 -0.02 117.51 113.62 1shp h ILE 2 Ca 0.00 -0.09 0.00 0.00 1.03 0.00 0.00 64.86 65.80 1shp h ILE 2 Cb 0.00 -0.00 0.00 0.00 -2.05 0.00 0.00 36.82 34.77 1shp h ILE 2 CO 0.00 0.05 0.13 0.00 0.03 0.00 0.00 178.15 178.36 1shp h SER 4 N 0.00 0.39 -3.68 0.00 0.02 -1.38 -3.41 113.55 105.49 1shp h SER 4 Ca 0.00 -0.21 -0.50 0.00 -0.84 0.00 0.00 61.79 60.24 1shp h SER 4 Cb 0.27 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1shp h SER 4 CO 0.00 0.86 0.40 -1.61 -1.14 0.00 0.00 176.83 175.34 1shp s GLU 5 N -3.93 4.73 0.97 3.45 2.02 0.13 -5.08 118.70 120.99 1shp s GLU 5 Ca -0.05 1.59 -0.16 0.00 0.02 0.00 0.00 54.97 56.36 1shp s GLU 5 Cb 0.12 -3.28 0.22 0.00 0.10 0.00 0.00 34.13 31.29 1shp s GLU 5 CO 0.81 0.30 1.31 -0.35 0.02 0.00 0.00 175.26 177.35 1shp n PRO 6 N 1.89 -1.28 -1.40 0.39 -0.04 -1.26 -4.76 135.00 128.55 1shp n PRO 6 Ca 0.00 -2.04 -0.49 0.00 -0.04 0.00 0.00 63.50 60.93 1shp n PRO 6 Cb 0.47 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 1shp n PRO 6 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1shp n LYS 7 N -3.78 0.00 -3.57 0.54 0.00 -1.26 -4.90 118.16 105.19 1shp n LYS 7 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.31 1shp n LYS 7 Cb 0.57 -1.04 -0.06 0.00 0.00 0.00 0.00 35.03 34.50 1shp n LYS 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1shp s LYS 8 N -0.91 1.00 0.24 1.64 -2.85 -1.26 -5.14 119.74 112.46 1shp s LYS 8 Ca 0.66 0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.67 1shp s LYS 8 Cb -0.95 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 35.28 1shp s LYS 8 CO 0.56 -0.32 0.00 0.28 0.10 0.00 0.00 175.35 175.96 1shp n VAL 9 N 0.80 0.19 -1.41 1.79 0.31 -1.26 -4.72 118.33 114.02 1shp n VAL 9 Ca -0.19 0.06 -0.39 0.00 -0.01 0.00 0.00 64.34 63.81 1shp n VAL 9 Cb 0.58 -0.63 -0.02 0.00 -0.91 0.00 0.00 33.84 32.86 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 1.83 3.96 0.00 2.92 0.00 -1.26 -3.77 105.19 108.87 1shp n GLY 10 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1shp n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shp n ARG 11 N 5.28 2.01 -4.27 1.61 5.12 -1.24 -5.04 116.66 120.13 1shp n ARG 11 Ca 0.59 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 56.36 1shp n ARG 11 Cb 0.32 -0.81 -0.10 0.00 -1.16 0.00 0.00 32.46 30.71 1shp n ARG 11 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1shp n LYS 13 N -0.25 3.30 -4.60 0.00 3.00 -1.16 -4.27 118.16 114.17 1shp n LYS 13 Ca -0.09 -4.57 -0.34 0.00 -0.00 0.00 0.00 58.31 53.31 1shp n LYS 13 Cb 0.61 -2.22 -0.11 0.00 0.00 0.00 0.00 35.03 33.31 1shp n LYS 13 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1shp s GLY 14 N -3.50 1.71 -1.35 3.14 0.00 0.49 -5.04 107.32 102.77 1shp s GLY 14 Ca 0.48 -0.88 -0.15 0.00 0.00 0.00 0.00 44.72 44.17 1shp s GLY 14 CO -0.17 -0.64 1.92 2.98 0.00 0.00 0.00 173.10 177.19 1shp n TYR 15 N 2.27 3.99 -3.38 1.90 9.36 -1.26 -3.10 117.16 126.93 1shp n TYR 15 Ca -0.18 -2.95 -0.45 0.00 3.32 0.00 0.00 57.90 57.64 1shp n TYR 15 Cb 0.53 -2.45 -0.04 0.00 -0.63 0.00 0.00 39.34 36.76 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 2.90 3.62 -0.28 2.98 0.08 -1.26 -5.01 117.98 121.01 1shp s PHE 16 Ca 0.48 -1.94 -0.29 0.00 0.12 0.00 0.00 56.93 55.30 1shp s PHE 16 Cb 0.08 -3.73 -0.03 0.00 -0.57 0.00 0.00 43.02 38.77 1shp s PHE 16 CO -0.01 -0.98 1.81 -1.25 -0.10 0.00 0.00 175.22 174.69 1shp s PRO 17 N 0.46 3.45 0.48 0.24 0.04 -1.26 -0.58 135.00 137.82 1shp s PRO 17 Ca 0.14 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1shp s PRO 17 Cb -0.16 -4.18 -0.00 0.00 0.04 0.00 0.00 34.50 30.20 1shp s PRO 17 CO -0.06 -1.72 0.01 0.54 0.04 0.00 0.00 177.00 175.81 1shp n ARG 18 N 8.27 0.82 -4.71 4.56 5.12 0.45 -4.95 116.66 126.21 1shp n ARG 18 Ca 0.23 -3.49 -0.30 0.00 -1.93 0.00 0.00 57.85 52.36 1shp n ARG 18 Cb 0.46 0.99 -0.14 0.00 -1.16 0.00 0.00 32.46 32.61 1shp n ARG 18 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1shp s PHE 19 N -2.75 2.32 0.11 -1.55 0.40 0.10 -0.29 117.98 116.32 1shp s PHE 19 Ca 0.01 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.01 1shp s PHE 19 Cb 0.00 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 1shp s PHE 19 CO 0.01 0.21 -0.17 1.52 0.70 0.00 0.00 175.22 177.49 1shp s TYR 20 N -0.90 1.53 -0.54 0.36 1.13 0.30 -0.27 117.35 118.95 1shp s TYR 20 Ca 0.13 -0.48 -0.27 0.00 -1.41 0.00 0.00 57.07 55.04 1shp s TYR 20 Cb -0.10 -0.82 -0.03 0.00 -1.10 0.00 0.00 41.96 39.91 1shp s TYR 20 CO 0.04 0.17 1.93 0.12 -2.51 0.00 0.00 175.55 175.29 1shp s PHE 21 N -1.62 1.60 0.24 -3.49 5.36 -1.26 -0.63 117.98 118.18 1shp s PHE 21 Ca 0.07 0.87 -0.30 0.00 -0.96 0.00 0.00 56.93 56.61 1shp s PHE 21 Cb -0.08 -4.02 -0.09 0.00 -0.34 0.00 0.00 43.02 38.49 1shp s PHE 21 CO 0.04 -2.47 1.14 0.34 -1.46 0.00 0.00 175.22 172.82 1shp s ASP 22 N 8.32 7.18 0.00 6.13 2.15 0.75 -4.69 116.67 136.50 1shp s ASP 22 Ca 0.74 2.27 0.13 0.00 0.43 0.00 0.00 52.55 56.12 1shp s ASP 22 Cb -0.15 -2.62 -0.10 0.00 -0.30 0.00 0.00 42.92 39.75 1shp s ASP 22 CO 0.24 -0.25 0.60 -0.24 -0.17 0.00 0.00 175.17 175.35 1shp n SER 23 N 1.68 0.85 -0.01 -0.34 2.88 -1.26 -0.52 113.62 116.91 1shp n SER 23 Ca 0.01 -0.92 -0.13 0.00 -1.33 0.00 0.00 58.87 56.50 1shp n SER 23 Cb 0.45 0.84 -0.10 0.00 -0.75 0.00 0.00 64.21 64.65 1shp n SER 23 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1shp h GLU 24 N 0.45 -0.02 0.00 -1.46 3.07 -1.96 -3.33 114.58 111.34 1shp h GLU 24 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 1shp h GLU 24 Cb 0.34 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.22 1shp h GLU 24 CO 0.00 0.46 -1.51 1.79 -1.40 0.00 0.00 179.01 178.35 1shp h THR 25 N -0.50 0.77 -1.20 1.13 1.35 -1.99 -3.49 112.91 108.98 1shp h THR 25 Ca -0.00 -2.46 -0.02 0.00 -0.55 0.00 0.00 66.41 63.38 1shp h THR 25 Cb 0.48 2.30 0.01 0.00 -1.73 0.00 0.00 68.15 69.21 1shp h THR 25 CO 0.00 0.44 -0.03 0.61 -0.25 0.00 0.00 175.52 176.29 1shp n GLY 26 N 1.47 0.87 3.21 5.82 0.00 -0.30 -5.07 105.19 111.20 1shp n GLY 26 Ca -0.12 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 -5.03 0.58 -0.12 1.61 1.02 0.32 -4.93 119.74 113.19 1shp s LYS 27 Ca 0.03 -0.10 -0.29 0.00 0.02 0.00 0.00 55.97 55.62 1shp s LYS 27 Cb -0.01 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 1shp s LYS 27 CO 0.03 -0.15 1.60 0.00 -0.92 0.00 0.00 175.35 175.92 1shp s THR 29 N 4.37 0.36 0.60 0.00 2.01 0.20 -4.91 115.64 118.26 1shp s THR 29 Ca 0.71 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 62.19 1shp s THR 29 Cb -0.29 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 1shp s THR 29 CO 0.28 -0.01 1.07 -2.16 -0.69 0.00 0.00 174.62 173.11 1shp s PRO 30 N -0.40 3.26 0.12 4.92 0.04 -1.26 -0.54 135.00 141.15 1shp s PRO 30 Ca -0.01 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.04 1shp s PRO 30 Cb -0.03 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1shp s PRO 30 CO -0.00 -0.86 0.60 -0.59 0.04 0.00 0.00 177.00 176.19 1shp s PHE 31 N -2.40 -0.54 -0.25 0.56 -0.71 0.60 -4.83 117.98 110.41 1shp s PHE 31 Ca 0.64 0.44 -0.23 0.00 -1.04 0.00 0.00 56.93 56.75 1shp s PHE 31 Cb -0.17 0.52 -0.01 0.00 -1.21 0.00 0.00 43.02 42.15 1shp s PHE 31 CO 0.37 -0.80 0.77 0.42 -1.34 0.00 0.00 175.22 174.64 1shp s ILE 32 N -3.30 4.87 -0.45 -4.49 -1.09 -1.26 -0.41 121.20 115.07 1shp s ILE 32 Ca -0.01 1.43 0.23 0.00 -2.23 0.00 0.00 60.65 60.07 1shp s ILE 32 Cb -0.01 -4.07 0.33 0.00 -1.58 0.00 0.00 42.46 37.14 1shp s ILE 32 CO -0.09 -0.05 1.61 0.22 -1.23 0.00 0.00 174.94 175.40 1shp h TYR 33 N 7.76 0.00 0.00 3.97 3.20 -1.10 -3.45 116.97 127.35 1shp h TYR 33 Ca -0.24 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1shp h TYR 33 Cb 1.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.37 1shp h TYR 33 CO 0.75 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.68 1shp n GLY 34 N 1.11 1.43 0.00 1.82 0.00 -1.18 -4.34 105.19 104.03 1shp n GLY 34 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 1.11 3.35 -0.02 0.00 -1.26 -0.38 105.19 107.99 1shp n GLY 35 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.20 0.37 0.00 0.00 0.00 -1.26 -3.05 105.19 101.06 1shp n GLY 37 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1shp n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shp n GLY 38 N -1.50 0.34 2.24 -0.02 0.00 -1.26 -4.89 105.19 100.10 1shp n GLY 38 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1shp n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1shp n ASN 39 N 0.00 -1.03 -0.03 1.61 0.23 -1.26 -5.05 115.26 109.72 1shp n ASN 39 Ca 0.00 -2.17 0.15 0.00 -0.53 0.00 0.00 54.58 52.02 1shp n ASN 39 Cb 0.00 1.85 0.73 0.00 -2.08 0.00 0.00 39.78 40.28 1shp n ASN 39 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1shp n GLY 40 N -0.37 -1.17 2.61 4.83 0.00 -1.26 -4.17 105.19 105.67 1shp n GLY 40 Ca -0.01 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1shp n GLY 40 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1shp n ASN 41 N -1.18 5.54 -3.30 1.61 5.15 -1.26 -4.71 115.26 117.10 1shp n ASN 41 Ca 0.15 -2.68 0.01 0.00 -0.60 0.00 0.00 54.58 51.46 1shp n ASN 41 Cb 0.24 -1.51 -0.03 0.00 -0.53 0.00 0.00 39.78 37.96 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 3.06 -1.16 0.03 1.20 3.84 -1.26 -4.52 114.94 116.13 1shp s ASN 42 Ca 0.55 0.99 0.02 0.00 0.21 0.00 0.00 52.86 54.64 1shp s ASN 42 Cb 0.15 2.09 -0.02 0.00 -0.55 0.00 0.00 41.25 42.92 1shp s ASN 42 CO -0.05 -0.25 -0.07 -0.36 -2.79 0.00 0.00 177.10 173.57 1shp s PHE 43 N 2.83 0.61 0.20 0.43 0.08 0.62 -4.97 117.98 117.79 1shp s PHE 43 Ca 0.13 -0.44 -0.07 0.00 0.12 0.00 0.00 56.93 56.68 1shp s PHE 43 Cb -0.14 -0.37 0.13 0.00 -0.57 0.00 0.00 43.02 42.06 1shp s PHE 43 CO -0.20 -0.08 1.62 1.49 -0.10 0.00 0.00 175.22 177.95 1shp h GLU 44 N 4.73 0.89 -4.67 0.44 4.57 -1.94 0.30 114.58 118.91 1shp h GLU 44 Ca -0.34 -0.34 -0.23 0.00 -1.18 0.00 0.00 59.36 57.26 1shp h GLU 44 Cb 1.20 -0.05 -0.15 0.00 -0.16 0.00 0.00 28.75 29.59 1shp h GLU 44 CO 0.42 0.99 -0.70 0.95 -1.18 0.00 0.00 179.01 179.50 1shp s THR 45 N -4.72 0.71 0.22 0.32 -4.23 -1.26 -4.33 115.64 102.34 1shp s THR 45 Ca -0.10 -1.94 -0.09 0.00 -1.18 0.00 0.00 61.69 58.38 1shp s THR 45 Cb 0.13 -1.70 0.19 0.00 1.34 0.00 0.00 72.50 72.46 1shp s THR 45 CO 0.85 -0.86 1.69 0.25 -0.54 0.00 0.00 174.62 176.01 1shp h LEU 46 N 2.95 -0.05 -0.55 4.79 5.85 -1.93 -0.22 115.31 126.15 1shp h LEU 46 Ca -0.35 0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.61 1shp h LEU 46 Cb 1.17 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.28 1shp h LEU 46 CO 0.65 -0.03 -0.10 -0.74 -0.34 0.00 0.00 178.44 177.88 1shp h HIS 47 N 0.23 -0.23 0.04 1.25 2.76 -1.98 0.26 115.15 117.48 1shp h HIS 47 Ca 0.34 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.56 1shp h HIS 47 Cb 0.54 0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1shp h HIS 47 CO -0.28 -0.22 -0.02 0.37 -1.30 0.00 0.00 177.93 176.49 1shp h GLN 48 N 0.03 -0.05 -0.68 5.26 4.15 -1.78 0.16 115.11 122.20 1shp h GLN 48 Ca 0.27 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.83 1shp h GLN 48 Cb 0.42 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.02 1shp h GLN 48 CO -0.55 0.30 0.16 0.00 -1.93 0.00 0.00 178.83 176.82 1shp h ARG 50 N 0.28 -1.24 -0.90 0.00 2.43 -0.39 0.53 114.38 115.08 1shp h ARG 50 Ca 0.37 0.08 0.18 0.00 -0.81 0.00 0.00 59.98 59.80 1shp h ARG 50 Cb 0.58 0.28 -0.11 0.00 -0.42 0.00 0.00 29.97 30.31 1shp h ARG 50 CO -0.45 -0.83 0.47 0.00 -1.51 0.00 0.00 179.97 177.65 1shp h ALA 51 N -1.24 1.43 0.01 2.80 0.00 -0.27 0.14 119.26 122.13 1shp h ALA 51 Ca -0.12 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1shp h ALA 51 Cb 1.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1shp h ALA 51 CO 0.18 -0.17 -0.01 0.82 0.00 0.00 0.00 179.25 180.07 1shp h ILE 52 N 0.58 1.46 0.00 0.00 1.08 -0.73 -3.43 117.51 116.47 1shp h ILE 52 Ca 0.53 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 1shp h ILE 52 Cb 0.86 2.45 0.00 0.00 -3.07 0.00 0.00 36.82 37.06 1shp h ILE 52 CO -0.42 0.38 0.00 0.00 -0.69 0.00 0.00 178.15 177.42 1shp n ARG 54 N -0.30 3.92 0.00 0.00 5.12 0.44 -4.99 116.66 120.86 1shp n ARG 54 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1shp n ARG 54 Cb 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.35 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70