#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 0.38 -1.30 2.46 -0.00 -1.98 -0.57 117.51 116.50 1shp h ILE 2 Ca 0.00 0.00 0.45 0.00 -0.00 0.00 0.00 64.86 65.31 1shp h ILE 2 Cb 0.00 0.77 -0.14 0.00 -0.00 0.00 0.00 36.82 37.45 1shp h ILE 2 CO 0.00 0.00 0.81 0.00 -0.00 0.00 0.00 178.15 178.96 1shp h SER 4 N 0.03 0.00 -3.94 0.00 0.87 -1.45 -3.41 113.55 105.65 1shp h SER 4 Ca 0.86 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.92 1shp h SER 4 Cb 2.65 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 64.65 1shp h SER 4 CO -0.51 0.25 0.47 -1.61 -0.53 0.00 0.00 176.83 174.90 1shp s GLU 5 N -3.55 4.10 0.73 2.24 2.02 0.18 -5.03 118.70 119.39 1shp s GLU 5 Ca 0.01 1.72 -0.08 0.00 0.02 0.00 0.00 54.97 56.64 1shp s GLU 5 Cb 0.10 -2.64 0.06 0.00 0.10 0.00 0.00 34.13 31.75 1shp s GLU 5 CO 0.65 -0.24 1.06 -1.25 0.02 0.00 0.00 175.26 175.50 1shp s PRO 6 N -2.34 2.22 0.39 0.39 0.04 -1.26 -4.85 135.00 129.58 1shp s PRO 6 Ca 0.57 -0.08 -0.28 0.00 0.04 0.00 0.00 61.00 61.25 1shp s PRO 6 Cb -0.28 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.06 1shp s PRO 6 CO 0.35 -1.29 1.48 0.21 0.04 0.00 0.00 177.00 177.79 1shp s LYS 7 N -5.33 4.04 -0.25 4.56 2.20 -1.26 -4.88 119.74 118.81 1shp s LYS 7 Ca 0.60 2.56 -0.18 0.00 -0.36 0.00 0.00 55.97 58.59 1shp s LYS 7 Cb -0.11 -2.92 0.07 0.00 -1.51 0.00 0.00 37.83 33.36 1shp s LYS 7 CO 0.46 -0.59 0.64 -1.59 -0.36 0.00 0.00 175.35 173.92 1shp s LYS 8 N -2.16 0.70 -0.09 4.03 0.00 -1.26 -5.06 119.74 115.89 1shp s LYS 8 Ca 0.54 1.04 0.18 0.00 0.00 0.00 0.00 55.97 57.73 1shp s LYS 8 Cb -0.46 0.23 -0.24 0.00 0.00 0.00 0.00 37.83 37.35 1shp s LYS 8 CO 0.63 -0.12 0.39 0.28 0.00 0.00 0.00 175.35 176.52 1shp n VAL 9 N 3.60 1.13 -1.00 1.79 0.31 -1.26 -4.72 118.33 118.18 1shp n VAL 9 Ca -0.18 -0.75 0.14 0.00 -0.01 0.00 0.00 64.34 63.54 1shp n VAL 9 Cb 0.57 -0.51 -0.04 0.00 -0.91 0.00 0.00 33.84 32.95 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 1.56 -1.77 2.15 2.92 0.00 -1.22 -3.69 105.19 105.14 1shp n GLY 10 Ca -0.21 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.33 1shp n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1shp n ARG 11 N -3.29 2.61 -3.88 1.61 0.00 -1.26 -4.79 116.66 107.66 1shp n ARG 11 Ca 0.00 -1.54 -0.11 0.00 -0.00 0.00 0.00 57.85 56.20 1shp n ARG 11 Cb 0.46 -2.26 -0.11 0.00 0.00 0.00 0.00 32.46 30.55 1shp n ARG 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1shp n LYS 13 N 1.89 2.53 -3.67 0.00 4.01 -1.15 -4.48 118.16 117.29 1shp n LYS 13 Ca -0.20 -3.74 -0.37 0.00 -0.51 0.00 0.00 58.31 53.49 1shp n LYS 13 Cb 0.56 -1.85 -0.06 0.00 -0.51 0.00 0.00 35.03 33.17 1shp n LYS 13 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1shp s GLY 14 N -3.61 2.33 -1.35 0.72 0.00 0.75 -5.01 107.32 101.15 1shp s GLY 14 Ca 0.39 -0.43 -0.15 0.00 0.00 0.00 0.00 44.72 44.53 1shp s GLY 14 CO -0.01 -0.14 1.92 2.98 0.00 0.00 0.00 173.10 177.84 1shp n TYR 15 N 1.61 4.06 -3.39 1.90 9.36 -1.26 -3.00 117.16 126.43 1shp n TYR 15 Ca -0.14 -2.94 -0.45 0.00 3.32 0.00 0.00 57.90 57.68 1shp n TYR 15 Cb 0.53 -2.48 -0.03 0.00 -0.63 0.00 0.00 39.34 36.73 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 3.12 3.78 -0.04 2.98 0.08 -1.26 -5.02 117.98 121.63 1shp s PHE 16 Ca 0.48 -2.21 -0.30 0.00 0.12 0.00 0.00 56.93 55.02 1shp s PHE 16 Cb 0.08 -3.72 -0.06 0.00 -0.57 0.00 0.00 43.02 38.75 1shp s PHE 16 CO -0.00 -0.96 1.73 -1.25 -0.10 0.00 0.00 175.22 174.64 1shp s PRO 17 N -0.10 4.16 0.52 0.24 0.04 -1.26 -0.54 135.00 138.05 1shp s PRO 17 Ca 0.20 2.28 0.03 0.00 0.04 0.00 0.00 61.00 63.55 1shp s PRO 17 Cb -0.11 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1shp s PRO 17 CO -0.08 -0.88 0.13 1.03 0.04 0.00 0.00 177.00 177.23 1shp s ARG 18 N 4.16 2.21 -0.04 4.56 1.81 0.48 -4.90 118.95 127.23 1shp s ARG 18 Ca 0.77 -2.26 0.05 0.00 -1.72 0.00 0.00 55.73 52.57 1shp s ARG 18 Cb -0.35 -1.72 -0.02 0.00 -0.45 0.00 0.00 34.95 32.40 1shp s ARG 18 CO 0.32 -0.43 -0.19 -0.06 -0.68 0.00 0.00 175.30 174.27 1shp s PHE 19 N -2.83 2.55 0.10 -0.53 0.40 0.16 -0.40 117.98 117.43 1shp s PHE 19 Ca 0.16 -0.29 0.10 0.00 -0.60 0.00 0.00 56.93 56.30 1shp s PHE 19 Cb 0.01 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1shp s PHE 19 CO 0.09 0.08 -0.26 1.52 0.70 0.00 0.00 175.22 177.35 1shp s TYR 20 N -0.65 2.23 -0.44 0.36 1.13 0.28 -0.63 117.35 119.63 1shp s TYR 20 Ca 0.10 -0.39 -0.27 0.00 -1.41 0.00 0.00 57.07 55.09 1shp s TYR 20 Cb -0.11 -1.25 -0.03 0.00 -1.10 0.00 0.00 41.96 39.47 1shp s TYR 20 CO 0.00 0.25 1.90 0.12 -2.51 0.00 0.00 175.55 175.31 1shp s PHE 21 N -0.98 1.65 -0.55 -3.49 5.36 -1.26 -0.55 117.98 118.16 1shp s PHE 21 Ca 0.12 0.78 -0.27 0.00 -0.96 0.00 0.00 56.93 56.60 1shp s PHE 21 Cb -0.10 -4.05 -0.00 0.00 -0.34 0.00 0.00 43.02 38.53 1shp s PHE 21 CO 0.04 -2.73 1.65 0.34 -1.46 0.00 0.00 175.22 173.06 1shp s ASP 22 N 7.51 5.75 0.00 6.13 -1.08 0.90 -4.88 116.67 131.00 1shp s ASP 22 Ca 0.78 0.43 0.25 0.00 -0.52 0.00 0.00 52.55 53.49 1shp s ASP 22 Cb -0.19 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 39.81 1shp s ASP 22 CO 0.28 -1.98 1.80 -0.24 0.52 0.00 0.00 175.17 175.55 1shp n SER 23 N 10.94 0.00 -0.03 -0.34 2.88 -1.26 0.55 113.62 126.36 1shp n SER 23 Ca 0.17 0.43 -0.14 0.00 -1.33 0.00 0.00 58.87 58.00 1shp n SER 23 Cb 0.50 -0.47 -0.10 0.00 -0.75 0.00 0.00 64.21 63.38 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 0.00 0.10 0.00 -1.46 5.08 -1.95 -3.31 114.58 113.03 1shp h GLU 24 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1shp h GLU 24 Cb 0.40 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1shp h GLU 24 CO 0.00 0.71 -0.82 0.25 -1.00 0.00 0.00 179.01 178.15 1shp n THR 25 N -4.69 0.19 -2.61 1.13 -2.24 -1.18 -4.97 114.28 99.91 1shp n THR 25 Ca -0.09 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.35 1shp n THR 25 Cb 0.36 0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.39 -0.13 3.27 3.38 0.00 0.19 -5.02 105.19 108.28 1shp n GLY 26 Ca 0.03 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.11 2.75 0.05 1.61 1.02 -0.19 -4.93 119.74 114.94 1shp s LYS 27 Ca 0.14 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 1shp s LYS 27 Cb -0.06 -2.25 -0.08 0.00 -0.52 0.00 0.00 37.83 34.92 1shp s LYS 27 CO 0.17 0.33 1.68 0.00 -0.92 0.00 0.00 175.35 176.61 1shp s THR 29 N 2.97 0.02 0.59 0.00 2.01 0.29 -4.91 115.64 116.60 1shp s THR 29 Ca 0.75 -0.14 -0.16 0.00 0.31 0.00 0.00 61.69 62.44 1shp s THR 29 Cb -0.39 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1shp s THR 29 CO 0.33 -0.08 1.07 -2.16 -0.69 0.00 0.00 174.62 173.08 1shp s PRO 30 N -0.22 3.31 0.11 4.92 0.04 -1.26 -0.56 135.00 141.35 1shp s PRO 30 Ca -0.03 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.12 1shp s PRO 30 Cb -0.02 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.53 1shp s PRO 30 CO 0.00 -0.83 0.41 -0.59 0.04 0.00 0.00 177.00 176.03 1shp s PHE 31 N -2.34 -0.23 -0.26 0.56 -0.71 0.47 -4.79 117.98 110.68 1shp s PHE 31 Ca 0.65 -0.05 -0.17 0.00 -1.04 0.00 0.00 56.93 56.33 1shp s PHE 31 Cb -0.17 0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1shp s PHE 31 CO 0.35 -0.69 0.46 0.42 -1.34 0.00 0.00 175.22 174.42 1shp s ILE 32 N -3.61 5.11 0.03 -4.49 1.09 -1.26 -0.38 121.20 117.68 1shp s ILE 32 Ca 0.02 0.77 0.22 0.00 -1.10 0.00 0.00 60.65 60.56 1shp s ILE 32 Cb 0.01 -3.78 0.21 0.00 -1.06 0.00 0.00 42.46 37.84 1shp s ILE 32 CO -0.11 0.12 1.73 0.22 -0.10 0.00 0.00 174.94 176.80 1shp h TYR 33 N 8.00 0.00 0.00 3.97 3.20 -1.08 -3.41 116.97 127.66 1shp h TYR 33 Ca -0.30 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.57 1shp h TYR 33 Cb 1.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1shp h TYR 33 CO 0.75 0.27 0.00 0.41 -1.64 0.00 0.00 178.16 177.95 1shp n GLY 34 N 0.46 1.64 0.00 1.82 0.00 -1.16 -4.01 105.19 103.93 1shp n GLY 34 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.73 3.58 -0.02 0.00 -1.24 -0.18 105.19 109.06 1shp n GLY 35 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.98 0.47 3.75 0.00 0.00 -1.26 -3.44 105.19 103.73 1shp n GLY 37 Ca -0.09 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.17 2.86 0.17 -0.02 0.00 -1.26 -4.82 107.32 101.08 1shp s GLY 38 Ca 0.09 1.24 -0.03 0.00 0.00 0.00 0.00 44.72 46.02 1shp s GLY 38 CO 0.17 1.73 0.28 1.16 0.00 0.00 0.00 173.10 176.44 1shp n ASN 39 N -1.21 -0.81 -0.08 1.64 0.23 -1.26 -5.06 115.26 108.70 1shp n ASN 39 Ca 0.12 -1.81 -0.13 0.00 -0.53 0.00 0.00 54.58 52.23 1shp n ASN 39 Cb 0.46 1.42 -0.05 0.00 -2.08 0.00 0.00 39.78 39.53 1shp n ASN 39 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1shp h GLY 40 N 0.90 0.65 -5.95 4.83 0.00 -1.96 -3.37 103.07 98.17 1shp h GLY 40 Ca -0.14 -0.67 -0.63 0.00 0.00 0.00 0.00 47.33 45.89 1shp h GLY 40 CO 0.18 0.60 2.85 -2.01 0.00 0.00 0.00 176.54 178.16 1shp n ASN 41 N -4.35 4.19 -2.78 0.19 5.15 -1.26 -4.50 115.26 111.90 1shp n ASN 41 Ca -0.05 -2.66 -0.10 0.00 -0.60 0.00 0.00 54.58 51.17 1shp n ASN 41 Cb 0.44 -1.36 0.08 0.00 -0.53 0.00 0.00 39.78 38.41 1shp n ASN 41 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1shp n ASN 42 N 5.97 -2.08 -4.77 1.20 5.15 -1.24 -4.53 115.26 114.95 1shp n ASN 42 Ca 0.53 -3.61 -0.35 0.00 -0.60 0.00 0.00 54.58 50.55 1shp n ASN 42 Cb 0.33 1.68 -0.08 0.00 -0.53 0.00 0.00 39.78 41.19 1shp n ASN 42 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1shp s PHE 43 N 0.04 3.33 0.18 1.20 0.08 0.19 -4.86 117.98 118.14 1shp s PHE 43 Ca 0.24 0.29 -0.11 0.00 0.12 0.00 0.00 56.93 57.47 1shp s PHE 43 Cb 0.29 -1.81 0.09 0.00 -0.57 0.00 0.00 43.02 41.02 1shp s PHE 43 CO -0.07 0.57 1.73 1.49 -0.10 0.00 0.00 175.22 178.84 1shp h GLU 44 N 4.70 0.96 -6.68 0.44 4.81 -1.90 0.47 114.58 117.37 1shp h GLU 44 Ca -0.51 -0.19 -0.66 0.00 -0.13 0.00 0.00 59.36 57.86 1shp h GLU 44 Cb 1.20 -0.15 -0.19 0.00 0.63 0.00 0.00 28.75 30.24 1shp h GLU 44 CO 0.58 0.83 -0.81 0.95 -0.73 0.00 0.00 179.01 179.83 1shp s THR 45 N -5.48 2.58 0.22 0.32 -4.23 -1.26 -4.36 115.64 103.44 1shp s THR 45 Ca -0.13 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 58.52 1shp s THR 45 Cb 0.13 -2.21 0.20 0.00 1.34 0.00 0.00 72.50 71.96 1shp s THR 45 CO 0.81 -0.01 1.69 0.25 -0.54 0.00 0.00 174.62 176.81 1shp h LEU 46 N 3.44 -0.05 -0.67 4.79 5.85 -1.95 -0.80 115.31 125.92 1shp h LEU 46 Ca -0.48 0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.50 1shp h LEU 46 Cb 1.19 0.20 -0.13 0.00 0.37 0.00 0.00 40.66 42.29 1shp h LEU 46 CO 0.46 -0.04 -0.25 -0.74 -0.34 0.00 0.00 178.44 177.54 1shp h HIS 47 N 0.23 -0.62 0.35 1.25 2.76 -1.98 0.22 115.15 117.36 1shp h HIS 47 Ca 0.36 0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.58 1shp h HIS 47 Cb 0.58 0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.92 1shp h HIS 47 CO -0.28 -0.34 -0.17 1.96 -1.30 0.00 0.00 177.93 177.80 1shp h GLN 48 N -0.07 -0.46 -0.67 5.26 4.20 -1.78 0.31 115.11 121.91 1shp h GLN 48 Ca 0.30 0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.18 1shp h GLN 48 Cb 0.54 0.10 -0.11 0.00 0.30 0.00 0.00 27.48 28.31 1shp h GLN 48 CO -0.72 -0.16 0.00 0.00 -0.67 0.00 0.00 178.83 177.28 1shp h ARG 50 N 0.11 -0.85 -0.72 0.00 2.43 -0.56 0.50 114.38 115.29 1shp h ARG 50 Ca 0.35 0.06 0.16 0.00 -0.81 0.00 0.00 59.98 59.74 1shp h ARG 50 Cb 0.59 0.19 -0.11 0.00 -0.42 0.00 0.00 29.97 30.22 1shp h ARG 50 CO -0.58 -0.56 0.14 0.00 -1.51 0.00 0.00 179.97 177.46 1shp h ALA 51 N -1.33 0.89 0.17 2.80 0.00 0.36 0.22 119.26 122.37 1shp h ALA 51 Ca -0.07 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1shp h ALA 51 Cb 0.71 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1shp h ALA 51 CO 0.06 -0.35 -0.08 0.82 0.00 0.00 0.00 179.25 179.70 1shp h ILE 52 N 0.23 0.41 0.00 0.00 5.03 -0.78 -3.36 117.51 119.05 1shp h ILE 52 Ca 0.40 -1.05 -0.01 0.00 -0.12 0.00 0.00 64.86 64.08 1shp h ILE 52 Cb 0.69 0.73 -0.00 0.00 -3.03 0.00 0.00 36.82 35.21 1shp h ILE 52 CO -0.52 0.12 -0.19 0.00 -0.68 0.00 0.00 178.15 176.88 1shp n ARG 54 N -4.70 3.61 0.00 0.00 1.74 0.75 -4.98 116.66 113.08 1shp n ARG 54 Ca -0.05 -2.49 0.11 0.00 -0.77 0.00 0.00 57.85 54.65 1shp n ARG 54 Cb 0.16 -2.90 0.65 0.00 -1.02 0.00 0.00 32.46 29.35 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11