#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 0.50 -1.34 -1.33 -2.65 -2.00 -0.94 117.51 109.75 1shp h ILE 2 Ca 0.00 0.00 0.40 0.00 1.03 0.00 0.00 64.86 66.29 1shp h ILE 2 Cb 0.00 0.53 -0.09 0.00 -2.05 0.00 0.00 36.82 35.21 1shp h ILE 2 CO 0.00 0.00 0.92 0.00 0.03 0.00 0.00 178.15 179.10 1shp n SER 4 N -4.37 3.07 -4.70 0.00 7.64 -0.36 -4.34 113.62 110.56 1shp n SER 4 Ca 0.32 -1.95 -0.42 0.00 1.01 0.00 0.00 58.87 57.83 1shp n SER 4 Cb 1.37 -0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 64.24 1shp n SER 4 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1shp s GLU 5 N -1.41 4.20 0.43 1.43 0.41 0.28 -4.92 118.70 119.11 1shp s GLU 5 Ca 0.39 2.37 -0.24 0.00 -0.41 0.00 0.00 54.97 57.08 1shp s GLU 5 Cb 0.21 -3.38 -0.08 0.00 -1.78 0.00 0.00 34.13 29.10 1shp s GLU 5 CO 0.29 -0.68 1.14 -1.25 -0.49 0.00 0.00 175.26 174.27 1shp s PRO 6 N 1.91 3.93 0.10 0.39 0.04 -1.26 -4.86 135.00 135.26 1shp s PRO 6 Ca 0.73 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 1shp s PRO 6 Cb -0.42 -2.52 -0.06 0.00 0.04 0.00 0.00 34.50 31.54 1shp s PRO 6 CO 0.32 -0.40 1.11 0.21 0.04 0.00 0.00 177.00 178.28 1shp s LYS 7 N -2.54 4.53 0.08 4.56 2.47 -1.26 -5.02 119.74 122.57 1shp s LYS 7 Ca 0.60 1.67 0.07 0.00 -1.56 0.00 0.00 55.97 56.76 1shp s LYS 7 Cb -0.28 -3.34 -0.04 0.00 -1.46 0.00 0.00 37.83 32.71 1shp s LYS 7 CO 0.34 -0.06 -0.15 -1.59 0.16 0.00 0.00 175.35 174.05 1shp s LYS 8 N 0.42 2.02 0.00 4.03 0.00 -1.26 -5.10 119.74 119.85 1shp s LYS 8 Ca 0.53 -1.04 0.00 0.00 0.00 0.00 0.00 55.97 55.46 1shp s LYS 8 Cb -0.28 -2.22 0.00 0.00 0.00 0.00 0.00 37.83 35.33 1shp s LYS 8 CO 0.31 0.51 0.00 0.28 0.00 0.00 0.00 175.35 176.46 1shp n VAL 9 N 1.05 0.00 0.00 1.79 0.31 -1.26 -4.86 118.33 115.36 1shp n VAL 9 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1shp n VAL 9 Cb 0.52 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 2.86 -0.29 4.08 2.92 0.00 -1.25 -4.09 105.19 109.41 1shp n GLY 10 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1shp n GLY 10 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1shp n ARG 11 N 0.00 -0.90 -3.27 1.61 0.00 -1.26 -3.43 116.66 109.40 1shp n ARG 11 Ca 0.00 0.09 -0.21 0.00 -0.00 0.00 0.00 57.85 57.73 1shp n ARG 11 Cb 0.00 -3.33 0.00 0.00 -0.00 0.00 0.00 32.46 29.13 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 -1.84 0.99 -3.99 0.00 4.81 -1.26 -5.07 118.16 111.81 1shp n LYS 13 Ca -0.00 -3.34 -0.10 0.00 -0.87 0.00 0.00 58.31 54.00 1shp n LYS 13 Cb 0.58 -1.64 -0.04 0.00 0.02 0.00 0.00 35.03 33.94 1shp n LYS 13 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1shp s GLY 14 N -2.49 0.62 -0.30 3.14 0.00 -1.26 -5.14 107.32 101.89 1shp s GLY 14 Ca 0.38 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 44.19 1shp s GLY 14 CO -0.07 -0.62 0.04 -0.47 0.00 0.00 0.00 173.10 171.99 1shp s TYR 15 N -3.73 2.69 -0.26 1.90 5.04 -1.26 -4.26 117.35 117.47 1shp s TYR 15 Ca 0.22 -2.25 -0.01 0.00 -2.44 0.00 0.00 57.07 52.59 1shp s TYR 15 Cb -0.01 -2.17 0.08 0.00 0.35 0.00 0.00 41.96 40.21 1shp s TYR 15 CO 0.11 -0.88 0.05 -0.06 -1.34 0.00 0.00 175.55 173.43 1shp s PHE 16 N 1.28 1.57 0.14 4.97 0.40 -1.26 -4.90 117.98 120.18 1shp s PHE 16 Ca 0.07 -1.43 -0.31 0.00 -0.60 0.00 0.00 56.93 54.66 1shp s PHE 16 Cb -0.18 -1.45 -0.08 0.00 0.51 0.00 0.00 43.02 41.82 1shp s PHE 16 CO -0.14 -0.77 1.30 -1.25 0.70 0.00 0.00 175.22 175.07 1shp s PRO 17 N 1.67 4.38 0.35 0.24 0.04 -1.26 -0.37 135.00 140.06 1shp s PRO 17 Ca 0.03 1.99 0.06 0.00 0.04 0.00 0.00 61.00 63.12 1shp s PRO 17 Cb -0.17 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1shp s PRO 17 CO -0.16 -0.30 0.23 1.03 0.04 0.00 0.00 177.00 177.84 1shp s ARG 18 N 0.54 1.81 0.06 4.56 1.81 0.35 -4.86 118.95 123.21 1shp s ARG 18 Ca 0.59 -2.07 0.09 0.00 -1.72 0.00 0.00 55.73 52.62 1shp s ARG 18 Cb -0.35 0.04 -0.03 0.00 -0.45 0.00 0.00 34.95 34.17 1shp s ARG 18 CO 0.33 -0.60 -0.24 -0.06 -0.68 0.00 0.00 175.30 174.06 1shp s PHE 19 N -3.38 2.07 0.07 -0.53 0.40 0.11 -0.28 117.98 116.44 1shp s PHE 19 Ca 0.35 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1shp s PHE 19 Cb 0.02 -1.22 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 1shp s PHE 19 CO 0.23 0.14 -0.14 1.52 0.70 0.00 0.00 175.22 177.67 1shp s TYR 20 N -0.85 1.19 -0.61 0.36 1.13 0.19 -0.40 117.35 118.37 1shp s TYR 20 Ca 0.10 -0.48 -0.27 0.00 -1.41 0.00 0.00 57.07 55.01 1shp s TYR 20 Cb -0.09 -0.67 -0.01 0.00 -1.10 0.00 0.00 41.96 40.09 1shp s TYR 20 CO 0.02 0.05 1.69 0.12 -2.51 0.00 0.00 175.55 174.93 1shp s PHE 21 N -1.39 1.86 -0.40 -3.49 5.36 -1.26 -0.43 117.98 118.24 1shp s PHE 21 Ca -0.01 0.59 -0.29 0.00 -0.96 0.00 0.00 56.93 56.26 1shp s PHE 21 Cb -0.09 -4.23 0.00 0.00 -0.34 0.00 0.00 43.02 38.36 1shp s PHE 21 CO 0.02 -2.27 1.54 0.34 -1.46 0.00 0.00 175.22 173.39 1shp s ASP 22 N 6.69 6.17 0.00 6.13 -1.08 0.94 -4.64 116.67 130.88 1shp s ASP 22 Ca 0.60 0.94 0.28 0.00 -0.52 0.00 0.00 52.55 53.85 1shp s ASP 22 Cb -0.12 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 39.80 1shp s ASP 22 CO 0.21 -1.55 1.73 -0.24 0.52 0.00 0.00 175.17 175.85 1shp n SER 23 N 9.38 0.45 0.11 -0.34 2.88 -1.26 0.18 113.62 125.02 1shp n SER 23 Ca 0.18 -0.32 -0.11 0.00 -1.33 0.00 0.00 58.87 57.29 1shp n SER 23 Cb 0.48 -0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 63.81 1shp n SER 23 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1shp h GLU 24 N 0.39 -0.33 0.00 -1.46 4.22 -1.95 -3.34 114.58 112.10 1shp h GLU 24 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1shp h GLU 24 Cb 0.44 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1shp h GLU 24 CO 0.00 0.02 -0.51 1.79 -2.18 0.00 0.00 179.01 178.13 1shp h THR 25 N -0.90 0.00 -3.43 0.32 1.35 -1.97 -3.47 112.91 104.80 1shp h THR 25 Ca -0.04 -0.90 -0.19 0.00 -0.55 0.00 0.00 66.41 64.73 1shp h THR 25 Cb 0.51 1.63 0.07 0.00 -1.73 0.00 0.00 68.15 68.63 1shp h THR 25 CO 0.06 0.00 -0.34 0.61 -0.25 0.00 0.00 175.52 175.60 1shp n GLY 26 N 1.18 0.20 3.01 5.82 0.00 0.13 -5.04 105.19 110.49 1shp n GLY 26 Ca 0.02 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -5.50 1.41 -0.24 1.61 1.02 -0.07 -4.96 119.74 113.01 1shp s LYS 27 Ca 0.25 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.59 1shp s LYS 27 Cb -0.11 -1.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.95 1shp s LYS 27 CO 0.36 0.05 1.77 0.00 -0.92 0.00 0.00 175.35 176.61 1shp s THR 29 N 6.05 1.34 0.66 0.00 2.01 0.43 -4.93 115.64 121.20 1shp s THR 29 Ca 0.79 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.96 1shp s THR 29 Cb -0.26 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.11 1shp s THR 29 CO 0.32 0.38 1.09 -2.16 -0.69 0.00 0.00 174.62 173.56 1shp s PRO 30 N -0.13 2.87 0.20 4.92 0.04 -1.26 -0.63 135.00 141.01 1shp s PRO 30 Ca 0.00 1.26 -0.23 0.00 0.04 0.00 0.00 61.00 62.07 1shp s PRO 30 Cb -0.09 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1shp s PRO 30 CO 0.01 -1.17 0.73 -0.59 0.04 0.00 0.00 177.00 176.02 1shp s PHE 31 N -2.53 -0.31 -0.28 0.56 -0.71 0.61 -4.83 117.98 110.49 1shp s PHE 31 Ca 0.64 -0.02 -0.18 0.00 -1.04 0.00 0.00 56.93 56.33 1shp s PHE 31 Cb -0.18 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 1shp s PHE 31 CO 0.44 -0.99 0.53 0.42 -1.34 0.00 0.00 175.22 174.28 1shp s ILE 32 N -3.70 5.04 0.01 -4.49 1.09 -1.26 -0.50 121.20 117.40 1shp s ILE 32 Ca 0.07 0.78 -0.18 0.00 -1.10 0.00 0.00 60.65 60.22 1shp s ILE 32 Cb -0.03 -3.88 -0.27 0.00 -1.06 0.00 0.00 42.46 37.22 1shp s ILE 32 CO -0.02 -0.00 1.06 0.22 -0.10 0.00 0.00 174.94 176.10 1shp h TYR 33 N 8.12 0.76 0.00 3.97 3.20 -1.04 -3.44 116.97 128.54 1shp h TYR 33 Ca -0.28 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.12 1shp h TYR 33 Cb 1.13 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1shp h TYR 33 CO 0.75 1.31 0.00 0.41 -1.64 0.00 0.00 178.16 178.99 1shp n GLY 34 N 1.31 2.81 0.72 1.82 0.00 -1.23 -4.27 105.19 106.35 1shp n GLY 34 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 1.10 3.52 -0.02 0.00 -1.26 -4.17 105.19 102.37 1shp n GLY 35 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.21 -0.51 0.00 0.00 0.00 -1.22 -4.01 105.19 99.25 1shp n GLY 37 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.18 -1.62 3.62 -0.02 0.00 -1.26 -3.97 105.19 100.77 1shp n GLY 38 Ca -0.13 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.98 -2.01 -0.22 1.61 6.94 -1.26 -4.99 115.26 114.34 1shp n ASN 39 Ca 0.00 -2.67 -0.09 0.00 -0.02 0.00 0.00 54.58 51.80 1shp n ASN 39 Cb 0.00 3.44 0.03 0.00 -2.36 0.00 0.00 39.78 40.89 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 1.97 1.18 -4.89 4.83 0.00 -2.00 -3.36 103.07 100.79 1shp h GLY 40 Ca -0.32 -0.85 -0.48 0.00 0.00 0.00 0.00 47.33 45.68 1shp h GLY 40 CO 0.41 0.78 2.58 -2.01 0.00 0.00 0.00 176.54 178.30 1shp n ASN 41 N -4.18 6.87 -2.91 0.19 5.15 -1.26 -4.67 115.26 114.45 1shp n ASN 41 Ca 0.03 -2.46 -0.11 0.00 -0.60 0.00 0.00 54.58 51.45 1shp n ASN 41 Cb 0.34 -1.37 -0.01 0.00 -0.53 0.00 0.00 39.78 38.21 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 3.48 -2.50 -4.31 1.20 5.15 -1.25 -4.21 115.26 112.83 1shp n ASN 42 Ca 0.61 -2.90 -0.28 0.00 -0.60 0.00 0.00 54.58 51.41 1shp n ASN 42 Cb 0.34 1.16 -0.14 0.00 -0.53 0.00 0.00 39.78 40.62 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 0.51 2.10 0.29 1.20 0.08 0.47 -4.90 117.98 117.73 1shp s PHE 43 Ca 0.31 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.97 1shp s PHE 43 Cb 0.08 -1.24 0.50 0.00 -0.57 0.00 0.00 43.02 41.79 1shp s PHE 43 CO -0.13 0.13 1.90 1.49 -0.10 0.00 0.00 175.22 178.51 1shp h GLU 44 N 4.72 1.03 -3.96 0.44 4.57 -1.93 0.32 114.58 119.77 1shp h GLU 44 Ca -0.45 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 57.56 1shp h GLU 44 Cb 1.15 -0.23 -0.14 0.00 -0.16 0.00 0.00 28.75 29.37 1shp h GLU 44 CO 0.43 0.68 -0.45 0.95 -1.18 0.00 0.00 179.01 179.44 1shp s THR 45 N -5.94 0.15 0.19 0.32 -4.23 -1.26 -4.53 115.64 100.33 1shp s THR 45 Ca -0.12 -1.41 -0.14 0.00 -1.18 0.00 0.00 61.69 58.85 1shp s THR 45 Cb 0.20 -1.51 0.12 0.00 1.34 0.00 0.00 72.50 72.66 1shp s THR 45 CO 0.80 -0.67 1.69 0.25 -0.54 0.00 0.00 174.62 176.16 1shp h LEU 46 N 2.82 -0.18 -0.75 4.79 5.85 -1.93 0.03 115.31 125.94 1shp h LEU 46 Ca -0.34 0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.62 1shp h LEU 46 Cb 1.19 0.20 -0.13 0.00 0.37 0.00 0.00 40.66 42.28 1shp h LEU 46 CO 0.58 -0.06 -0.35 -0.74 -0.34 0.00 0.00 178.44 177.53 1shp h HIS 47 N 0.13 -0.96 -0.14 1.25 -0.00 -1.98 0.24 115.15 113.68 1shp h HIS 47 Ca 0.25 0.08 -0.06 0.00 -0.00 0.00 0.00 60.37 60.64 1shp h HIS 47 Cb 0.36 0.53 -0.00 0.00 -0.00 0.00 0.00 27.41 28.30 1shp h HIS 47 CO -0.30 -0.39 -0.13 0.37 -0.00 0.00 0.00 177.93 177.48 1shp h GLN 48 N -0.10 0.33 -0.44 5.26 4.15 -1.73 0.14 115.11 122.73 1shp h GLN 48 Ca 0.28 -0.17 0.09 0.00 0.77 0.00 0.00 58.65 59.61 1shp h GLN 48 Cb 0.57 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.19 1shp h GLN 48 CO -0.80 0.72 -0.05 0.00 -1.93 0.00 0.00 178.83 176.77 1shp h ARG 50 N 0.05 -1.11 -0.84 0.00 9.65 -0.35 -0.12 114.38 121.67 1shp h ARG 50 Ca 0.22 0.08 0.19 0.00 -1.10 0.00 0.00 59.98 59.36 1shp h ARG 50 Cb 0.33 0.25 -0.15 0.00 -1.39 0.00 0.00 29.97 29.00 1shp h ARG 50 CO -0.41 -0.74 -0.08 0.00 2.80 0.00 0.00 179.97 181.54 1shp h ALA 51 N -1.43 0.76 0.05 2.80 0.00 -0.48 0.43 119.26 121.40 1shp h ALA 51 Ca -0.12 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1shp h ALA 51 Cb 0.88 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1shp h ALA 51 CO 0.19 -0.44 -0.03 0.82 0.00 0.00 0.00 179.25 179.79 1shp h ILE 52 N 0.04 1.19 0.05 0.00 2.04 -0.81 -3.16 117.51 116.85 1shp h ILE 52 Ca 0.45 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1shp h ILE 52 Cb 0.78 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1shp h ILE 52 CO -0.80 0.21 -0.02 0.00 0.00 0.00 0.00 178.15 177.53 1shp s ARG 54 N -2.68 0.28 0.00 0.00 1.70 0.14 -5.08 118.95 113.31 1shp s ARG 54 Ca -0.14 -0.30 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 1shp s ARG 54 Cb -0.01 -1.81 0.00 0.00 -0.57 0.00 0.00 34.95 32.56 1shp s ARG 54 CO 0.52 -0.74 0.34 0.00 -1.08 0.00 0.00 175.30 174.35