#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 0.00 0.00 2.46 3.07 -1.94 0.14 117.51 121.24 1shp h ILE 2 Ca 0.00 -0.12 -0.14 0.00 1.55 0.00 0.00 64.86 66.15 1shp h ILE 2 Cb 0.00 0.77 -0.02 0.00 -0.27 0.00 0.00 36.82 37.30 1shp h ILE 2 CO 0.00 0.00 -0.68 0.00 -1.05 0.00 0.00 178.15 176.42 1shp h SER 4 N 0.00 0.04 -2.84 0.00 0.02 -1.13 -3.39 113.55 106.25 1shp h SER 4 Ca -0.01 -0.07 -0.59 0.00 -0.84 0.00 0.00 61.79 60.28 1shp h SER 4 Cb 1.39 -0.01 0.10 0.00 0.14 0.00 0.00 62.40 64.03 1shp h SER 4 CO 0.09 1.06 0.36 -0.62 -1.14 0.00 0.00 176.83 176.59 1shp n GLU 5 N -3.15 1.77 -2.96 3.45 1.02 -0.23 -4.81 120.64 115.72 1shp n GLU 5 Ca -0.14 0.62 -0.19 0.00 -0.02 0.00 0.00 57.16 57.42 1shp n GLU 5 Cb 1.03 -2.13 0.05 0.00 -0.02 0.00 0.00 31.44 30.38 1shp n GLU 5 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1shp s PRO 6 N -1.49 2.39 0.30 3.49 0.04 -1.26 -4.65 135.00 133.82 1shp s PRO 6 Ca 0.59 -1.43 -0.29 0.00 0.04 0.00 0.00 61.00 59.91 1shp s PRO 6 Cb -0.64 -2.64 -0.13 0.00 0.04 0.00 0.00 34.50 31.13 1shp s PRO 6 CO 0.59 -0.76 1.21 1.17 0.04 0.00 0.00 177.00 179.25 1shp n LYS 7 N -2.21 1.81 -3.66 4.56 0.00 -1.26 -4.80 118.16 112.60 1shp n LYS 7 Ca 0.13 0.64 -0.09 0.00 0.00 0.00 0.00 58.31 58.98 1shp n LYS 7 Cb 0.61 -2.15 -0.08 0.00 0.00 0.00 0.00 35.03 33.40 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 -1.46 0.64 0.00 1.64 -2.85 -1.26 -5.13 119.74 111.31 1shp s LYS 8 Ca 0.59 1.04 0.00 0.00 -1.00 0.00 0.00 55.97 56.60 1shp s LYS 8 Cb -0.64 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.28 1shp s LYS 8 CO 0.59 -0.14 0.04 0.28 0.10 0.00 0.00 175.35 176.23 1shp n VAL 9 N 3.93 0.00 -0.68 1.79 0.31 -1.26 -4.86 118.33 117.55 1shp n VAL 9 Ca -0.19 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1shp n VAL 9 Cb 0.57 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 2.13 -3.44 5.00 2.92 0.00 -1.26 -4.62 105.19 105.92 1shp n GLY 10 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.73 0.00 -4.16 1.61 1.74 -1.26 -4.50 116.66 108.36 1shp n ARG 11 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1shp n ARG 11 Cb 0.16 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.50 1shp n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1shp n LYS 13 N -0.14 1.08 -2.31 0.00 5.02 -1.21 -4.50 118.16 116.10 1shp n LYS 13 Ca -0.03 -2.83 -0.37 0.00 -2.02 0.00 0.00 58.31 53.06 1shp n LYS 13 Cb 0.64 -0.93 -0.01 0.00 -0.02 0.00 0.00 35.03 34.71 1shp n LYS 13 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1shp s GLY 14 N -2.81 2.75 -1.39 0.72 0.00 0.36 -4.86 107.32 102.09 1shp s GLY 14 Ca 0.35 0.88 -0.14 0.00 0.00 0.00 0.00 44.72 45.81 1shp s GLY 14 CO -0.10 1.32 2.05 2.98 0.00 0.00 0.00 173.10 179.35 1shp n TYR 15 N -0.50 3.73 -3.37 1.90 9.36 -1.26 -2.75 117.16 124.28 1shp n TYR 15 Ca 0.07 -2.94 -0.45 0.00 3.32 0.00 0.00 57.90 57.90 1shp n TYR 15 Cb 0.49 -2.47 -0.05 0.00 -0.63 0.00 0.00 39.34 36.68 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 2.92 3.47 0.19 2.98 0.08 -1.26 -5.02 117.98 121.33 1shp s PHE 16 Ca 0.47 -1.70 -0.31 0.00 0.12 0.00 0.00 56.93 55.51 1shp s PHE 16 Cb 0.11 -3.74 -0.10 0.00 -0.57 0.00 0.00 43.02 38.72 1shp s PHE 16 CO -0.04 -1.00 1.56 -1.25 -0.10 0.00 0.00 175.22 174.39 1shp s PRO 17 N 0.97 4.21 0.32 0.24 0.04 -1.26 -0.53 135.00 138.98 1shp s PRO 17 Ca 0.09 2.37 0.03 0.00 0.04 0.00 0.00 61.00 63.54 1shp s PRO 17 Cb -0.22 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1shp s PRO 17 CO -0.02 -0.59 0.16 1.03 0.04 0.00 0.00 177.00 177.62 1shp s ARG 18 N 0.83 1.64 0.04 4.56 1.81 0.39 -4.87 118.95 123.36 1shp s ARG 18 Ca 0.68 -1.94 0.04 0.00 -1.72 0.00 0.00 55.73 52.79 1shp s ARG 18 Cb -0.44 -0.16 -0.04 0.00 -0.45 0.00 0.00 34.95 33.87 1shp s ARG 18 CO 0.34 -0.45 -0.06 -0.06 -0.68 0.00 0.00 175.30 174.38 1shp s PHE 19 N -3.55 2.87 0.10 -0.53 0.40 0.55 -0.32 117.98 117.50 1shp s PHE 19 Ca 0.35 -0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.66 1shp s PHE 19 Cb 0.05 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.99 1shp s PHE 19 CO 0.18 0.40 -0.15 1.52 0.70 0.00 0.00 175.22 177.87 1shp s TYR 20 N -1.11 1.34 -0.62 0.36 1.13 0.47 -0.18 117.35 118.74 1shp s TYR 20 Ca 0.20 -0.50 -0.27 0.00 -1.41 0.00 0.00 57.07 55.08 1shp s TYR 20 Cb -0.11 -0.73 0.01 0.00 -1.10 0.00 0.00 41.96 40.03 1shp s TYR 20 CO 0.11 0.10 1.50 0.12 -2.51 0.00 0.00 175.55 174.87 1shp s PHE 21 N -1.67 2.11 -0.38 -3.49 2.19 -1.26 -0.93 117.98 114.55 1shp s PHE 21 Ca 0.03 0.41 -0.29 0.00 0.33 0.00 0.00 56.93 57.42 1shp s PHE 21 Cb -0.08 -4.38 -0.00 0.00 -1.31 0.00 0.00 43.02 37.26 1shp s PHE 21 CO 0.03 -2.12 1.57 0.34 1.83 0.00 0.00 175.22 176.87 1shp s ASP 22 N 5.23 6.15 0.14 6.13 -1.08 0.98 -4.63 116.67 129.59 1shp s ASP 22 Ca 0.52 1.02 0.25 0.00 -0.52 0.00 0.00 52.55 53.82 1shp s ASP 22 Cb -0.11 -2.53 0.47 0.00 -1.46 0.00 0.00 42.92 39.29 1shp s ASP 22 CO 0.21 -1.55 1.44 -0.24 0.52 0.00 0.00 175.17 175.56 1shp n SER 23 N 9.42 0.72 -0.16 -0.34 2.88 -1.26 0.32 113.62 125.21 1shp n SER 23 Ca 0.19 0.23 -0.09 0.00 -1.33 0.00 0.00 58.87 57.88 1shp n SER 23 Cb 0.47 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.67 0.10 -1.46 3.07 -1.93 -3.15 114.58 111.87 1shp h GLU 24 Ca 0.00 -0.12 -0.36 0.00 -0.50 0.00 0.00 59.36 58.38 1shp h GLU 24 Cb 0.74 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 1shp h GLU 24 CO 0.00 0.61 -2.04 0.25 -1.40 0.00 0.00 179.01 176.43 1shp n THR 25 N -4.60 1.72 -0.30 1.13 -2.24 -1.25 -5.03 114.28 103.71 1shp n THR 25 Ca 0.01 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1shp n THR 25 Cb 0.14 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 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 1.99 0.99 3.38 3.38 0.00 0.15 -5.11 105.19 109.97 1shp n GLY 26 Ca -0.35 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.73 1.38 0.22 1.61 3.01 0.47 -4.91 119.74 120.79 1shp s LYS 27 Ca 0.00 -1.37 -0.30 0.00 -1.01 0.00 0.00 55.97 53.30 1shp s LYS 27 Cb 0.00 -1.79 -0.08 0.00 -1.01 0.00 0.00 37.83 34.94 1shp s LYS 27 CO 0.00 0.41 1.17 0.00 0.51 0.00 0.00 175.35 177.44 1shp s THR 29 N -0.42 0.02 0.50 0.00 2.01 -0.10 -4.87 115.64 112.78 1shp s THR 29 Ca 0.50 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.15 1shp s THR 29 Cb -0.32 -0.80 -0.08 0.00 0.01 0.00 0.00 72.50 71.30 1shp s THR 29 CO 0.38 -0.09 1.01 -2.16 -0.69 0.00 0.00 174.62 173.07 1shp s PRO 30 N -0.83 3.85 0.09 4.92 0.04 -1.26 -0.39 135.00 141.41 1shp s PRO 30 Ca -0.09 1.16 -0.13 0.00 0.04 0.00 0.00 61.00 61.98 1shp s PRO 30 Cb -0.03 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1shp s PRO 30 CO 0.06 -0.37 0.31 -0.59 0.04 0.00 0.00 177.00 176.45 1shp s PHE 31 N -2.30 -0.08 -0.27 0.56 -0.71 0.57 -4.85 117.98 110.90 1shp s PHE 31 Ca 0.63 -0.21 -0.24 0.00 -1.04 0.00 0.00 56.93 56.07 1shp s PHE 31 Cb -0.13 0.12 -0.00 0.00 -1.21 0.00 0.00 43.02 41.80 1shp s PHE 31 CO 0.25 -0.60 0.79 0.42 -1.34 0.00 0.00 175.22 174.74 1shp s ILE 32 N -3.43 4.83 -0.05 -4.49 1.09 -1.26 -0.46 121.20 117.43 1shp s ILE 32 Ca 0.01 1.37 -0.22 0.00 -1.10 0.00 0.00 60.65 60.71 1shp s ILE 32 Cb 0.02 -4.11 -0.16 0.00 -1.06 0.00 0.00 42.46 37.14 1shp s ILE 32 CO -0.09 -0.14 0.90 0.22 -0.10 0.00 0.00 174.94 175.72 1shp h TYR 33 N 7.89 -0.19 0.00 3.97 3.20 -1.06 -3.45 116.97 127.33 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 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1shp h TYR 33 CO 0.76 0.26 0.00 0.41 -1.64 0.00 0.00 178.16 177.96 1shp n GLY 34 N 0.59 1.12 0.00 1.82 0.00 -1.11 -4.41 105.19 103.21 1shp n GLY 34 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.06 3.03 3.80 -0.02 0.00 -1.26 -0.48 105.19 110.19 1shp n GLY 35 Ca 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.78 0.14 3.73 0.00 0.00 -1.26 -4.41 105.19 102.60 1shp n GLY 37 Ca -0.08 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.74 1.90 0.00 -0.02 0.00 -1.26 -4.73 107.32 100.47 1shp s GLY 38 Ca 0.02 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1shp s GLY 38 CO 0.02 0.93 0.00 1.16 0.00 0.00 0.00 173.10 175.21 1shp n ASN 39 N -3.41 1.72 -0.05 1.64 6.94 -1.26 -5.05 115.26 115.79 1shp n ASN 39 Ca 0.11 -0.31 -0.11 0.00 -0.02 0.00 0.00 54.58 54.25 1shp n ASN 39 Cb 0.52 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.96 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 0.80 -5.12 4.83 0.00 -1.95 -3.35 103.07 98.28 1shp h GLY 40 Ca 0.00 -0.87 -0.46 0.00 0.00 0.00 0.00 47.33 45.99 1shp h GLY 40 CO 0.00 0.79 2.77 -2.01 0.00 0.00 0.00 176.54 178.09 1shp n ASN 41 N -4.01 6.34 -2.90 0.19 2.85 -1.25 -4.63 115.26 111.85 1shp n ASN 41 Ca -0.03 -2.41 -0.10 0.00 -0.11 0.00 0.00 54.58 51.93 1shp n ASN 41 Cb 0.58 -1.28 -0.01 0.00 1.24 0.00 0.00 39.78 40.31 1shp n ASN 41 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1shp n ASN 42 N 3.77 -2.69 -4.69 1.20 5.15 -1.26 -4.53 115.26 112.22 1shp n ASN 42 Ca 0.57 -2.84 -0.27 0.00 -0.60 0.00 0.00 54.58 51.44 1shp n ASN 42 Cb 0.24 1.22 -0.07 0.00 -0.53 0.00 0.00 39.78 40.64 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 0.62 2.91 0.10 1.20 0.08 0.75 -4.95 117.98 118.68 1shp s PHE 43 Ca 0.31 -0.11 -0.17 0.00 0.12 0.00 0.00 56.93 57.08 1shp s PHE 43 Cb 0.04 -1.41 -0.06 0.00 -0.57 0.00 0.00 43.02 41.02 1shp s PHE 43 CO -0.10 0.52 1.51 1.49 -0.10 0.00 0.00 175.22 178.53 1shp h GLU 44 N 2.67 0.58 -5.19 0.44 4.57 -1.94 0.16 114.58 115.86 1shp h GLU 44 Ca -0.47 -0.21 -0.37 0.00 -1.18 0.00 0.00 59.36 57.13 1shp h GLU 44 Cb 1.20 -0.04 -0.18 0.00 -0.16 0.00 0.00 28.75 29.57 1shp h GLU 44 CO 0.59 0.75 -0.75 0.95 -1.18 0.00 0.00 179.01 179.37 1shp s THR 45 N -4.85 1.12 0.25 0.32 -4.23 -1.26 -4.03 115.64 102.95 1shp s THR 45 Ca -0.13 -1.62 -0.06 0.00 -1.18 0.00 0.00 61.69 58.70 1shp s THR 45 Cb 0.08 -1.38 0.27 0.00 1.34 0.00 0.00 72.50 72.81 1shp s THR 45 CO 0.78 -0.46 1.65 0.25 -0.54 0.00 0.00 174.62 176.30 1shp h LEU 46 N 3.65 -0.24 -0.66 4.79 5.85 -1.92 -0.25 115.31 126.53 1shp h LEU 46 Ca -0.39 0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.65 1shp h LEU 46 Cb 1.19 0.30 -0.13 0.00 0.37 0.00 0.00 40.66 42.40 1shp h LEU 46 CO 0.50 -0.15 -0.20 -0.74 -0.34 0.00 0.00 178.44 177.51 1shp h HIS 47 N 0.14 -0.46 0.26 1.25 2.76 -1.98 0.20 115.15 117.32 1shp h HIS 47 Ca 0.42 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.64 1shp h HIS 47 Cb 0.75 0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.02 1shp h HIS 47 CO -0.37 -0.31 -0.13 1.96 -1.30 0.00 0.00 177.93 177.78 1shp h GLN 48 N -0.03 -0.34 -0.84 5.26 4.20 -1.61 0.87 115.11 122.61 1shp h GLN 48 Ca 0.31 0.02 0.21 0.00 0.06 0.00 0.00 58.65 59.25 1shp h GLN 48 Cb 0.51 0.08 -0.13 0.00 0.30 0.00 0.00 27.48 28.24 1shp h GLN 48 CO -0.70 -0.04 0.27 0.00 -0.67 0.00 0.00 178.83 177.70 1shp n ARG 50 N -5.15 0.00 -0.33 0.00 0.63 0.66 -3.05 116.66 109.42 1shp n ARG 50 Ca 0.19 0.48 0.14 0.00 -0.92 0.00 0.00 57.85 57.74 1shp n ARG 50 Cb 0.61 -1.43 0.32 0.00 0.45 0.00 0.00 32.46 32.41 1shp n ARG 50 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1shp h ALA 51 N -2.00 1.61 -0.72 5.13 0.00 -0.22 0.17 119.26 123.22 1shp h ALA 51 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1shp h ALA 51 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1shp h ALA 51 CO 0.00 -0.17 0.24 0.82 0.00 0.00 0.00 179.25 180.14 1shp h ILE 52 N 0.63 1.25 0.00 0.00 1.08 -0.77 -3.39 117.51 116.31 1shp h ILE 52 Ca 0.58 -0.86 -0.22 0.00 -0.39 0.00 0.00 64.86 63.96 1shp h ILE 52 Cb 0.99 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.15 1shp h ILE 52 CO -0.43 0.34 -1.65 0.00 -0.69 0.00 0.00 178.15 175.72 1shp n ARG 54 N -3.83 2.18 0.00 0.00 1.85 0.40 -5.10 116.66 112.16 1shp n ARG 54 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.57 1shp n ARG 54 Cb 0.64 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.05 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62