#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 0.37 -0.64 0.44 3.07 -1.99 -0.63 117.51 118.14 1shp h ILE 2 Ca 0.00 -0.02 0.18 0.00 1.55 0.00 0.00 64.86 66.57 1shp h ILE 2 Cb 0.00 0.29 -0.03 0.00 -0.27 0.00 0.00 36.82 36.82 1shp h ILE 2 CO 0.00 0.01 0.65 0.00 -1.05 0.00 0.00 178.15 177.76 1shp h SER 4 N 0.00 0.00 -3.68 0.00 0.02 -1.43 -3.42 113.55 105.04 1shp h SER 4 Ca 0.30 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.72 1shp h SER 4 Cb 1.59 0.00 0.09 0.00 0.14 0.00 0.00 62.40 64.23 1shp h SER 4 CO -0.00 0.40 0.81 -1.61 -1.14 0.00 0.00 176.83 175.29 1shp s GLU 5 N -3.61 4.13 0.89 3.45 2.02 0.17 -4.91 118.70 120.85 1shp s GLU 5 Ca -0.00 2.54 -0.12 0.00 0.02 0.00 0.00 54.97 57.41 1shp s GLU 5 Cb 0.11 -3.00 0.13 0.00 0.10 0.00 0.00 34.13 31.47 1shp s GLU 5 CO 0.69 -0.55 1.15 -1.25 0.02 0.00 0.00 175.26 175.33 1shp s PRO 6 N -1.38 1.30 0.33 0.39 0.04 -1.26 -4.83 135.00 129.59 1shp s PRO 6 Ca 0.57 0.23 -0.27 0.00 0.04 0.00 0.00 61.00 61.57 1shp s PRO 6 Cb -0.46 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.08 1shp s PRO 6 CO 0.56 -2.08 1.07 1.17 0.04 0.00 0.00 177.00 177.76 1shp n LYS 7 N -3.67 1.53 -3.65 4.56 4.81 -1.26 -4.93 118.16 115.55 1shp n LYS 7 Ca 0.07 0.54 -0.09 0.00 -0.87 0.00 0.00 58.31 57.96 1shp n LYS 7 Cb 0.60 -1.99 -0.08 0.00 0.02 0.00 0.00 35.03 33.58 1shp n LYS 7 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1shp s LYS 8 N -1.71 0.68 0.17 1.64 0.00 -1.26 -5.04 119.74 114.21 1shp s LYS 8 Ca 0.59 1.08 -0.10 0.00 0.00 0.00 0.00 55.97 57.54 1shp s LYS 8 Cb -0.64 0.17 0.03 0.00 0.00 0.00 0.00 37.83 37.39 1shp s LYS 8 CO 0.60 -0.14 1.58 0.28 0.00 0.00 0.00 175.35 177.68 1shp h VAL 9 N 4.86 1.27 -0.16 1.79 2.07 -1.95 -3.45 116.25 120.67 1shp h VAL 9 Ca -0.31 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1shp h VAL 9 Cb 1.21 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1shp h VAL 9 CO 0.16 0.46 0.00 0.61 0.02 0.00 0.00 177.57 178.82 1shp n GLY 10 N -0.22 1.14 3.72 2.17 0.00 -1.26 -0.22 105.19 110.52 1shp n GLY 10 Ca 0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.74 -1.10 -3.65 1.61 3.00 -1.26 -2.50 116.66 112.01 1shp n ARG 11 Ca 0.00 0.44 -0.14 0.00 -0.01 0.00 0.00 57.85 58.14 1shp n ARG 11 Cb 0.24 -3.91 -0.07 0.00 0.00 0.00 0.00 32.46 28.72 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 0.83 3.09 -4.31 0.00 3.00 -1.26 -4.51 118.16 114.99 1shp n LYS 13 Ca -0.20 -2.90 -0.25 0.00 -0.00 0.00 0.00 58.31 54.97 1shp n LYS 13 Cb 0.58 -3.19 -0.13 0.00 0.00 0.00 0.00 35.03 32.30 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 2.54 1.29 -0.66 3.14 0.00 -1.23 -5.06 107.32 107.35 1shp s GLY 14 Ca 0.45 -1.28 0.06 0.00 0.00 0.00 0.00 44.72 43.95 1shp s GLY 14 CO -0.06 -1.27 0.68 2.98 0.00 0.00 0.00 173.10 175.43 1shp n TYR 15 N 1.08 3.54 -3.41 1.90 9.36 -1.25 -4.21 117.16 124.17 1shp n TYR 15 Ca -0.19 -4.20 -0.44 0.00 3.32 0.00 0.00 57.90 56.39 1shp n TYR 15 Cb 0.53 -0.58 -0.05 0.00 -0.63 0.00 0.00 39.34 38.62 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 -2.22 3.47 0.15 2.98 0.08 0.01 -4.95 117.98 117.50 1shp s PHE 16 Ca 0.36 -1.78 -0.31 0.00 0.12 0.00 0.00 56.93 55.32 1shp s PHE 16 Cb 0.10 -3.68 -0.11 0.00 -0.57 0.00 0.00 43.02 38.76 1shp s PHE 16 CO -0.05 -0.99 1.76 -1.25 -0.10 0.00 0.00 175.22 174.59 1shp s PRO 17 N 0.94 4.14 0.38 0.24 0.04 -1.26 -0.41 135.00 139.07 1shp s PRO 17 Ca 0.10 2.56 0.06 0.00 0.04 0.00 0.00 61.00 63.76 1shp s PRO 17 Cb -0.22 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 1shp s PRO 17 CO -0.02 -0.79 0.22 1.03 0.04 0.00 0.00 177.00 177.48 1shp s ARG 18 N 2.10 1.90 0.12 4.56 1.81 0.17 -4.89 118.95 124.71 1shp s ARG 18 Ca 0.78 -2.14 0.11 0.00 -1.72 0.00 0.00 55.73 52.75 1shp s ARG 18 Cb -0.47 -0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 33.91 1shp s ARG 18 CO 0.34 -0.61 -0.26 -0.06 -0.68 0.00 0.00 175.30 174.02 1shp s PHE 19 N -3.28 2.32 0.10 -0.53 0.40 0.11 -0.34 117.98 116.76 1shp s PHE 19 Ca 0.32 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1shp s PHE 19 Cb 0.02 -1.28 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 1shp s PHE 19 CO 0.22 0.31 -0.09 1.52 0.70 0.00 0.00 175.22 177.89 1shp s TYR 20 N -1.03 1.00 -0.48 0.36 1.13 0.32 -0.13 117.35 118.53 1shp s TYR 20 Ca 0.14 -0.75 -0.28 0.00 -1.41 0.00 0.00 57.07 54.77 1shp s TYR 20 Cb -0.10 -0.55 -0.01 0.00 -1.10 0.00 0.00 41.96 40.20 1shp s TYR 20 CO 0.06 -0.05 1.68 0.12 -2.51 0.00 0.00 175.55 174.85 1shp s PHE 21 N -2.91 1.95 -0.24 -3.49 5.36 -1.26 -0.90 117.98 116.49 1shp s PHE 21 Ca 0.08 0.65 -0.29 0.00 -0.96 0.00 0.00 56.93 56.41 1shp s PHE 21 Cb 0.00 -4.20 -0.02 0.00 -0.34 0.00 0.00 43.02 38.46 1shp s PHE 21 CO -0.02 -2.41 1.51 0.34 -1.46 0.00 0.00 175.22 173.19 1shp s ASP 22 N 6.02 6.50 0.00 6.13 -1.08 0.13 -4.78 116.67 129.59 1shp s ASP 22 Ca 0.67 1.52 0.23 0.00 -0.52 0.00 0.00 52.55 54.46 1shp s ASP 22 Cb -0.16 -2.53 0.21 0.00 -1.46 0.00 0.00 42.92 38.98 1shp s ASP 22 CO 0.28 -1.17 1.21 -0.24 0.52 0.00 0.00 175.17 175.76 1shp n SER 23 N 8.08 0.83 -0.09 -0.34 2.88 -1.26 -0.00 113.62 123.73 1shp n SER 23 Ca 0.17 -0.67 -0.13 0.00 -1.33 0.00 0.00 58.87 56.91 1shp n SER 23 Cb 0.46 0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 64.41 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 0.25 0.61 0.01 -1.46 3.07 -1.96 -3.34 114.58 111.77 1shp h GLU 24 Ca 0.00 -0.31 -0.39 0.00 -0.50 0.00 0.00 59.36 58.16 1shp h GLU 24 Cb 0.52 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.37 1shp h GLU 24 CO 0.00 0.90 -2.43 0.25 -1.40 0.00 0.00 179.01 176.34 1shp n THR 25 N -4.36 1.52 -0.63 1.13 -2.24 -1.26 -5.07 114.28 103.38 1shp n THR 25 Ca -0.04 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1shp n THR 25 Cb 0.42 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 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 2.22 0.86 3.54 3.38 0.00 1.00 -5.11 105.19 111.09 1shp n GLY 26 Ca -0.44 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.42 0.72 -0.08 1.61 1.02 0.28 -4.99 119.74 115.88 1shp s LYS 27 Ca 0.00 0.92 -0.30 0.00 0.02 0.00 0.00 55.97 56.61 1shp s LYS 27 Cb 0.00 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1shp s LYS 27 CO 0.00 -0.10 1.35 0.00 -0.92 0.00 0.00 175.35 175.68 1shp s THR 29 N 3.04 0.05 0.61 0.00 2.01 -0.08 -4.91 115.64 116.36 1shp s THR 29 Ca 0.60 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 62.02 1shp s THR 29 Cb -0.27 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1shp s THR 29 CO 0.21 -0.23 1.11 -2.16 -0.69 0.00 0.00 174.62 172.86 1shp s PRO 30 N -0.73 3.08 0.18 4.92 0.04 -1.26 -0.52 135.00 140.70 1shp s PRO 30 Ca -0.08 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.22 1shp s PRO 30 Cb -0.05 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1shp s PRO 30 CO 0.00 -1.04 0.51 -0.59 0.04 0.00 0.00 177.00 175.93 1shp s PHE 31 N -2.16 -0.18 -0.20 0.56 -0.71 0.54 -4.79 117.98 111.03 1shp s PHE 31 Ca 0.68 -0.14 -0.14 0.00 -1.04 0.00 0.00 56.93 56.29 1shp s PHE 31 Cb -0.21 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 1shp s PHE 31 CO 0.35 -0.87 0.32 0.42 -1.34 0.00 0.00 175.22 174.10 1shp s ILE 32 N -3.85 5.26 0.06 -4.49 1.09 -1.26 -0.65 121.20 117.36 1shp s ILE 32 Ca 0.07 0.55 0.02 0.00 -1.10 0.00 0.00 60.65 60.19 1shp s ILE 32 Cb -0.00 -3.65 -0.04 0.00 -1.06 0.00 0.00 42.46 37.70 1shp s ILE 32 CO -0.06 0.31 0.06 -0.47 -0.10 0.00 0.00 174.94 174.68 1shp s TYR 33 N 1.04 3.17 -1.07 3.97 5.04 0.45 -4.29 117.35 125.65 1shp s TYR 33 Ca 0.16 0.09 0.24 0.00 -2.44 0.00 0.00 57.07 55.12 1shp s TYR 33 Cb -0.14 -1.64 0.39 0.00 0.35 0.00 0.00 41.96 40.93 1shp s TYR 33 CO 0.06 0.52 1.34 0.41 -1.34 0.00 0.00 175.55 176.53 1shp n GLY 34 N 0.69 -1.14 1.95 8.97 0.00 0.69 -0.81 105.19 115.54 1shp n GLY 34 Ca -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 1.49 0.47 3.44 -0.02 0.00 -1.26 -3.55 105.19 105.75 1shp n GLY 35 Ca 0.06 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.57 1.60 7.00 0.00 0.00 -1.04 -4.34 105.19 107.84 1shp n GLY 37 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.23 0.00 -0.02 0.00 -1.26 -5.02 105.19 99.12 1shp n GLY 38 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.27 0.00 0.04 1.61 0.23 -1.26 -4.93 115.26 107.68 1shp n ASN 39 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 53.85 1shp n ASN 39 Cb 0.00 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.56 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 0.00 0.32 -7.42 4.83 0.00 -1.98 -3.41 103.07 95.41 1shp h GLY 40 Ca 0.00 -0.82 -0.54 0.00 0.00 0.00 0.00 47.33 45.97 1shp h GLY 40 CO 0.00 0.72 1.83 -2.01 0.00 0.00 0.00 176.54 177.07 1shp n ASN 41 N -4.09 3.86 -3.46 0.19 5.15 -1.26 -4.75 115.26 110.90 1shp n ASN 41 Ca -0.16 -2.80 -0.03 0.00 -0.60 0.00 0.00 54.58 50.99 1shp n ASN 41 Cb 0.83 -1.68 -0.05 0.00 -0.53 0.00 0.00 39.78 38.35 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 5.14 -0.75 0.09 1.20 2.47 -1.26 -4.79 114.94 117.04 1shp s ASN 42 Ca 0.60 1.00 0.03 0.00 0.42 0.00 0.00 52.86 54.91 1shp s ASN 42 Cb 0.04 1.83 -0.04 0.00 -1.45 0.00 0.00 41.25 41.63 1shp s ASN 42 CO 0.09 -0.25 -0.09 -0.36 -3.72 0.00 0.00 177.10 172.77 1shp s PHE 43 N 2.76 0.98 0.11 0.43 0.08 0.81 -4.98 117.98 118.16 1shp s PHE 43 Ca 0.06 -0.69 0.04 0.00 0.12 0.00 0.00 56.93 56.46 1shp s PHE 43 Cb -0.13 -0.54 -0.23 0.00 -0.57 0.00 0.00 43.02 41.54 1shp s PHE 43 CO -0.17 -0.04 1.23 1.49 -0.10 0.00 0.00 175.22 177.63 1shp h GLU 44 N 3.55 0.07 -4.01 0.44 4.81 -1.94 0.31 114.58 117.81 1shp h GLU 44 Ca -0.37 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 58.63 1shp h GLU 44 Cb 1.19 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 30.48 1shp h GLU 44 CO 0.54 1.05 -0.40 0.95 -0.73 0.00 0.00 179.01 180.41 1shp s THR 45 N -2.69 0.08 0.20 0.32 -4.23 -1.26 -4.35 115.64 103.70 1shp s THR 45 Ca -0.00 -1.50 -0.11 0.00 -1.18 0.00 0.00 61.69 58.89 1shp s THR 45 Cb 0.09 -1.87 0.13 0.00 1.34 0.00 0.00 72.50 72.20 1shp s THR 45 CO 0.84 -0.36 1.73 0.25 -0.54 0.00 0.00 174.62 176.54 1shp h LEU 46 N 2.63 0.11 -0.57 4.79 5.85 -1.92 0.40 115.31 126.59 1shp h LEU 46 Ca -0.33 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.59 1shp h LEU 46 Cb 1.22 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.23 1shp h LEU 46 CO 0.51 0.08 -0.25 -0.74 -0.34 0.00 0.00 178.44 177.70 1shp h HIS 47 N 0.32 -0.64 0.11 1.25 2.76 -1.98 0.24 115.15 117.22 1shp h HIS 47 Ca 0.28 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 1shp h HIS 47 Cb 0.37 0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1shp h HIS 47 CO -0.20 -0.33 -0.06 0.37 -1.30 0.00 0.00 177.93 176.41 1shp h GLN 48 N -0.11 -0.15 -0.49 5.26 5.75 -1.78 0.58 115.11 124.18 1shp h GLN 48 Ca 0.26 0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.86 1shp h GLN 48 Cb 0.51 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.01 1shp h GLN 48 CO -0.64 0.19 -0.00 0.00 -2.65 0.00 0.00 178.83 175.73 1shp h ARG 50 N 0.11 -1.05 -0.91 0.00 2.43 -0.46 0.10 114.38 114.61 1shp h ARG 50 Ca 0.25 0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.64 1shp h ARG 50 Cb 0.37 0.24 -0.10 0.00 -0.42 0.00 0.00 29.97 30.06 1shp h ARG 50 CO -0.41 -0.70 0.50 0.00 -1.51 0.00 0.00 179.97 177.85 1shp h ALA 51 N -0.92 1.40 0.08 2.80 0.00 -0.43 0.18 119.26 122.37 1shp h ALA 51 Ca -0.11 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1shp h ALA 51 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1shp h ALA 51 CO 0.18 -0.05 -0.04 0.82 0.00 0.00 0.00 179.25 180.17 1shp h ILE 52 N 0.70 1.18 0.13 0.00 1.08 -0.83 -3.40 117.51 116.37 1shp h ILE 52 Ca 0.50 -1.11 -0.21 0.00 -0.39 0.00 0.00 64.86 63.65 1shp h ILE 52 Cb 0.70 1.88 0.01 0.00 -3.07 0.00 0.00 36.82 36.34 1shp h ILE 52 CO -0.36 0.27 -0.97 0.00 -0.69 0.00 0.00 178.15 176.39 1shp n ARG 54 N -4.08 1.20 0.00 0.00 1.74 0.55 -5.06 116.66 111.00 1shp n ARG 54 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1shp n ARG 54 Cb 0.84 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.28 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11