#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shp n ILE 2 N 0.00 1.01 0.75 2.46 -0.00 -1.26 -0.32 119.36 122.00 1shp n ILE 2 Ca 0.00 0.35 0.11 0.00 -0.00 0.00 0.00 62.75 63.21 1shp n ILE 2 Cb 0.00 -1.27 -0.03 0.00 -0.00 0.00 0.00 39.64 38.34 1shp n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1shp n SER 4 N -1.73 1.51 -4.72 0.00 7.64 0.41 -4.63 113.62 112.09 1shp n SER 4 Ca 0.03 -0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.38 1shp n SER 4 Cb 0.39 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 1shp n SER 4 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1shp n GLU 5 N -3.12 2.67 -3.00 1.43 1.02 0.57 -4.90 120.64 115.31 1shp n GLU 5 Ca -0.42 0.96 -0.19 0.00 -0.02 0.00 0.00 57.16 57.48 1shp n GLU 5 Cb 1.03 -2.76 0.05 0.00 -0.02 0.00 0.00 31.44 29.73 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 0.41 2.44 0.31 3.49 0.04 -1.26 -4.65 135.00 135.78 1shp s PRO 6 Ca 0.71 -1.47 -0.27 0.00 0.04 0.00 0.00 61.00 60.00 1shp s PRO 6 Cb -0.52 -2.66 -0.14 0.00 0.04 0.00 0.00 34.50 31.22 1shp s PRO 6 CO 0.40 -0.70 0.92 1.17 0.04 0.00 0.00 177.00 178.82 1shp n LYS 7 N -2.15 1.15 -3.29 4.56 0.00 -1.26 -4.85 118.16 112.32 1shp n LYS 7 Ca 0.13 0.40 -0.11 0.00 0.00 0.00 0.00 58.31 58.74 1shp n LYS 7 Cb 0.61 -1.75 -0.03 0.00 0.00 0.00 0.00 35.03 33.86 1shp n LYS 7 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1shp n LYS 8 N 0.68 0.44 0.00 1.64 -0.00 -1.26 -5.13 118.16 114.53 1shp n LYS 8 Ca 0.11 -1.99 0.00 0.00 -0.00 0.00 0.00 58.31 56.42 1shp n LYS 8 Cb 0.33 1.86 0.00 0.00 -0.00 0.00 0.00 35.03 37.21 1shp n LYS 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1shp n VAL 9 N -0.40 0.00 0.00 0.58 0.31 -1.26 -4.80 118.33 112.75 1shp n VAL 9 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1shp n VAL 9 Cb 0.41 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 4.27 2.66 2.34 2.92 0.00 -1.26 -4.49 105.19 111.63 1shp n GLY 10 Ca 0.00 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.64 3.69 -3.70 1.61 3.00 -1.26 -4.81 116.66 113.55 1shp n ARG 11 Ca 0.00 -2.27 -0.11 0.00 -0.01 0.00 0.00 57.85 55.46 1shp n ARG 11 Cb 0.00 -2.82 -0.06 0.00 0.00 0.00 0.00 32.46 29.58 1shp n ARG 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1shp s LYS 13 N -3.10 1.01 -0.05 0.00 -0.14 -1.26 -4.94 119.74 111.26 1shp s LYS 13 Ca -0.01 -2.14 0.02 0.00 -1.36 0.00 0.00 55.97 52.48 1shp s LYS 13 Cb 0.01 -1.58 0.01 0.00 -1.68 0.00 0.00 37.83 34.58 1shp s LYS 13 CO -0.07 -1.36 -0.10 0.20 -0.76 0.00 0.00 175.35 173.26 1shp s GLY 14 N 0.03 0.65 -1.34 -3.33 0.00 -1.24 -5.07 107.32 97.01 1shp s GLY 14 Ca 0.31 -0.31 -0.14 0.00 0.00 0.00 0.00 44.72 44.57 1shp s GLY 14 CO -0.17 0.12 1.91 2.98 0.00 0.00 0.00 173.10 177.94 1shp n TYR 15 N 3.70 3.96 -3.42 1.90 9.36 -1.26 -3.01 117.16 128.39 1shp n TYR 15 Ca -0.22 -2.96 -0.44 0.00 3.32 0.00 0.00 57.90 57.60 1shp n TYR 15 Cb 0.52 -2.42 -0.03 0.00 -0.63 0.00 0.00 39.34 36.78 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 2.74 3.82 -0.01 2.98 0.40 -1.26 -5.02 117.98 121.63 1shp s PHE 16 Ca 0.47 -2.34 -0.30 0.00 -0.60 0.00 0.00 56.93 54.16 1shp s PHE 16 Cb 0.08 -3.68 -0.07 0.00 0.51 0.00 0.00 43.02 39.86 1shp s PHE 16 CO -0.01 -0.94 1.74 -1.25 0.70 0.00 0.00 175.22 175.46 1shp s PRO 17 N -0.29 4.17 0.41 0.24 0.04 -1.26 -0.54 135.00 137.77 1shp s PRO 17 Ca 0.21 2.33 0.04 0.00 0.04 0.00 0.00 61.00 63.62 1shp s PRO 17 Cb -0.11 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 1shp s PRO 17 CO -0.08 -0.86 0.11 1.03 0.04 0.00 0.00 177.00 177.24 1shp s ARG 18 N 3.90 1.93 0.21 4.56 1.81 0.30 -4.92 118.95 126.74 1shp s ARG 18 Ca 0.78 -2.17 0.09 0.00 -1.72 0.00 0.00 55.73 52.70 1shp s ARG 18 Cb -0.37 -0.72 -0.04 0.00 -0.45 0.00 0.00 34.95 33.37 1shp s ARG 18 CO 0.33 -0.44 -0.03 -0.06 -0.68 0.00 0.00 175.30 174.42 1shp s PHE 19 N -3.19 2.73 0.01 -0.53 0.40 0.12 -0.53 117.98 117.00 1shp s PHE 19 Ca 0.23 -0.19 -0.12 0.00 -0.60 0.00 0.00 56.93 56.25 1shp s PHE 19 Cb 0.03 -1.29 0.01 0.00 0.51 0.00 0.00 43.02 42.29 1shp s PHE 19 CO 0.14 0.55 0.26 1.52 0.70 0.00 0.00 175.22 178.38 1shp s TYR 20 N -1.94 -0.08 -0.69 0.36 1.13 0.67 -0.33 117.35 116.47 1shp s TYR 20 Ca 0.28 0.02 -0.27 0.00 -1.41 0.00 0.00 57.07 55.69 1shp s TYR 20 Cb -0.08 0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.84 1shp s TYR 20 CO 0.18 -0.41 1.50 0.12 -2.51 0.00 0.00 175.55 174.44 1shp s PHE 21 N -1.87 2.04 -0.39 -3.49 5.36 -1.26 -0.86 117.98 117.51 1shp s PHE 21 Ca -0.10 0.28 -0.29 0.00 -0.96 0.00 0.00 56.93 55.86 1shp s PHE 21 Cb -0.04 -4.42 -0.00 0.00 -0.34 0.00 0.00 43.02 38.22 1shp s PHE 21 CO 0.00 -2.17 1.56 0.34 -1.46 0.00 0.00 175.22 173.50 1shp s ASP 22 N 5.41 6.15 0.00 6.13 -1.08 0.69 -4.68 116.67 129.29 1shp s ASP 22 Ca 0.47 0.98 0.15 0.00 -0.52 0.00 0.00 52.55 53.64 1shp s ASP 22 Cb -0.10 -2.53 0.58 0.00 -1.46 0.00 0.00 42.92 39.41 1shp s ASP 22 CO 0.17 -1.56 1.42 -0.24 0.52 0.00 0.00 175.17 175.48 1shp n SER 23 N 9.45 1.33 -0.03 -0.34 2.88 -1.26 0.32 113.62 125.96 1shp n SER 23 Ca 0.19 -1.79 -0.21 0.00 -1.33 0.00 0.00 58.87 55.73 1shp n SER 23 Cb 0.48 -0.12 -0.13 0.00 -0.75 0.00 0.00 64.21 63.68 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 1.61 0.15 0.00 -1.46 5.08 -1.95 -3.37 114.58 114.64 1shp h GLU 24 Ca 0.00 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 57.91 1shp h GLU 24 Cb 0.36 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1shp h GLU 24 CO 0.00 1.12 -1.76 0.25 -1.00 0.00 0.00 179.01 177.62 1shp n THR 25 N -4.07 1.05 -2.07 1.13 -2.24 -1.25 -5.04 114.28 101.80 1shp n THR 25 Ca -0.27 -0.70 -0.05 0.00 -2.27 0.00 0.00 64.05 60.75 1shp n THR 25 Cb 0.82 -0.56 0.02 0.00 -2.10 0.00 0.00 70.33 68.52 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 1.47 0.24 3.53 3.38 0.00 0.15 -5.09 105.19 108.87 1shp n GLY 26 Ca -0.15 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.46 0.89 -0.17 1.61 1.02 0.28 -4.97 119.74 114.94 1shp s LYS 27 Ca 0.15 0.56 -0.29 0.00 0.02 0.00 0.00 55.97 56.41 1shp s LYS 27 Cb -0.02 0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 37.70 1shp s LYS 27 CO 0.24 -0.20 1.34 0.00 -0.92 0.00 0.00 175.35 175.81 1shp s THR 29 N 3.76 0.07 0.35 0.00 2.01 -0.04 -4.94 115.64 116.85 1shp s THR 29 Ca 0.58 -0.62 -0.25 0.00 0.31 0.00 0.00 61.69 61.71 1shp s THR 29 Cb -0.23 -0.28 -0.10 0.00 0.01 0.00 0.00 72.50 71.91 1shp s THR 29 CO 0.18 -0.34 0.98 -2.16 -0.69 0.00 0.00 174.62 172.59 1shp s PRO 30 N -1.07 4.43 0.11 4.92 0.04 -1.26 -0.24 135.00 141.92 1shp s PRO 30 Ca -0.12 1.38 -0.09 0.00 0.04 0.00 0.00 61.00 62.21 1shp s PRO 30 Cb -0.07 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1shp s PRO 30 CO 0.00 0.12 0.23 -0.59 0.04 0.00 0.00 177.00 176.80 1shp s PHE 31 N -1.67 0.17 -0.29 0.56 -0.71 0.31 -4.90 117.98 111.47 1shp s PHE 31 Ca 0.53 -0.58 -0.19 0.00 -1.04 0.00 0.00 56.93 55.66 1shp s PHE 31 Cb -0.19 -0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.57 1shp s PHE 31 CO 0.24 -0.59 0.55 0.42 -1.34 0.00 0.00 175.22 174.50 1shp s ILE 32 N -3.88 5.02 0.09 -4.49 1.09 -1.26 -0.54 121.20 117.23 1shp s ILE 32 Ca 0.07 0.81 -0.14 0.00 -1.10 0.00 0.00 60.65 60.29 1shp s ILE 32 Cb 0.04 -3.90 -0.15 0.00 -1.06 0.00 0.00 42.46 37.40 1shp s ILE 32 CO -0.09 -0.02 1.31 0.22 -0.10 0.00 0.00 174.94 176.25 1shp h TYR 33 N 8.12 0.94 0.00 3.97 3.20 -1.07 -3.43 116.97 128.70 1shp h TYR 33 Ca -0.28 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.20 1shp h TYR 33 Cb 1.13 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1shp h TYR 33 CO 0.75 1.20 0.00 0.41 -1.64 0.00 0.00 178.16 178.88 1shp n GLY 34 N 0.60 1.97 4.03 1.82 0.00 -1.16 -4.52 105.19 107.93 1shp n GLY 34 Ca -0.07 0.00 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 -2.00 1.77 3.39 -0.02 0.00 -1.26 -3.70 105.19 103.36 1shp n GLY 35 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.34 -0.20 3.78 0.00 0.00 -1.26 -4.84 105.19 99.33 1shp n GLY 37 Ca 0.15 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.07 2.64 0.34 -0.02 0.00 -1.26 -4.85 107.32 100.10 1shp s GLY 38 Ca 0.01 0.78 0.03 0.00 0.00 0.00 0.00 44.72 45.54 1shp s GLY 38 CO 0.58 1.15 0.37 0.54 0.00 0.00 0.00 173.10 175.74 1shp s ASN 39 N -1.72 1.34 0.34 1.64 2.20 -1.26 -5.06 114.94 112.41 1shp s ASN 39 Ca 0.68 -1.64 0.18 0.00 -0.94 0.00 0.00 52.86 51.13 1shp s ASN 39 Cb -0.23 0.61 0.46 0.00 -2.00 0.00 0.00 41.25 40.09 1shp s ASN 39 CO 0.27 -1.17 1.63 1.23 -2.94 0.00 0.00 177.10 176.11 1shp h GLY 40 N 2.12 0.00 -5.94 0.45 0.00 -1.94 -3.36 103.07 94.40 1shp h GLY 40 Ca -0.27 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.49 1shp h GLY 40 CO 0.38 0.00 2.65 -2.01 0.00 0.00 0.00 176.54 177.56 1shp n ASN 41 N -3.41 4.03 -3.15 0.19 2.85 -1.25 -4.68 115.26 109.84 1shp n ASN 41 Ca 0.01 -2.57 0.03 0.00 -0.11 0.00 0.00 54.58 51.94 1shp n ASN 41 Cb 0.59 -1.22 -0.00 0.00 1.24 0.00 0.00 39.78 40.39 1shp n ASN 41 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1shp s ASN 42 N 3.98 -1.44 -0.01 1.20 2.47 -1.26 -4.62 114.94 115.26 1shp s ASN 42 Ca 0.51 -0.08 0.06 0.00 0.42 0.00 0.00 52.86 53.78 1shp s ASN 42 Cb 0.13 1.89 -0.02 0.00 -1.45 0.00 0.00 41.25 41.80 1shp s ASN 42 CO 0.02 -0.24 -0.20 -0.36 -3.72 0.00 0.00 177.10 172.60 1shp s PHE 43 N 2.57 1.81 0.46 0.43 0.08 0.55 -4.98 117.98 118.91 1shp s PHE 43 Ca 0.13 -0.35 0.13 0.00 0.12 0.00 0.00 56.93 56.97 1shp s PHE 43 Cb -0.07 -1.15 1.07 0.00 -0.57 0.00 0.00 43.02 42.29 1shp s PHE 43 CO -0.21 -0.01 2.06 1.49 -0.10 0.00 0.00 175.22 178.45 1shp h GLU 44 N 5.52 0.30 -3.87 0.44 4.57 -1.94 0.35 114.58 119.94 1shp h GLU 44 Ca -0.39 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 57.65 1shp h GLU 44 Cb 1.14 -0.07 -0.17 0.00 -0.16 0.00 0.00 28.75 29.50 1shp h GLU 44 CO 0.47 0.20 -0.52 0.95 -1.18 0.00 0.00 179.01 178.93 1shp s THR 45 N -5.30 0.15 0.23 0.32 -4.23 -1.26 -4.35 115.64 101.20 1shp s THR 45 Ca -0.07 -1.22 -0.06 0.00 -1.18 0.00 0.00 61.69 59.16 1shp s THR 45 Cb 0.18 -1.07 0.19 0.00 1.34 0.00 0.00 72.50 73.14 1shp s THR 45 CO 0.72 -0.67 1.73 0.25 -0.54 0.00 0.00 174.62 176.10 1shp h LEU 46 N 3.41 0.22 -0.74 4.79 5.85 -1.94 -0.26 115.31 126.65 1shp h LEU 46 Ca -0.33 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.62 1shp h LEU 46 Cb 1.18 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 42.17 1shp h LEU 46 CO 0.54 0.10 -0.33 -0.74 -0.34 0.00 0.00 178.44 177.67 1shp h HIS 47 N 0.41 -0.89 0.59 1.25 2.76 -1.98 0.33 115.15 117.61 1shp h HIS 47 Ca 0.37 0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.59 1shp h HIS 47 Cb 0.54 0.50 0.01 0.00 1.55 0.00 0.00 27.41 30.00 1shp h HIS 47 CO -0.18 -0.38 -0.28 1.96 -1.30 0.00 0.00 177.93 177.74 1shp h GLN 48 N -0.09 -0.76 -0.91 5.26 4.20 -1.74 0.79 115.11 121.86 1shp h GLN 48 Ca 0.29 0.05 0.21 0.00 0.06 0.00 0.00 58.65 59.26 1shp h GLN 48 Cb 0.57 0.17 -0.12 0.00 0.30 0.00 0.00 27.48 28.40 1shp h GLN 48 CO -0.79 -0.45 0.44 0.00 -0.67 0.00 0.00 178.83 177.36 1shp h ARG 50 N 0.49 -0.42 -0.96 0.00 2.43 -0.33 0.22 114.38 115.81 1shp h ARG 50 Ca 0.55 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.98 1shp h ARG 50 Cb 0.99 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.52 1shp h ARG 50 CO -0.48 -0.10 0.53 0.00 -1.51 0.00 0.00 179.97 178.41 1shp h ALA 51 N -0.25 1.65 0.00 2.80 0.00 0.82 0.37 119.26 124.65 1shp h ALA 51 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1shp h ALA 51 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1shp h ALA 51 CO 0.07 -0.27 -0.01 0.82 0.00 0.00 0.00 179.25 179.87 1shp h ILE 52 N 0.54 0.00 0.00 0.00 5.03 -0.76 -3.43 117.51 118.90 1shp h ILE 52 Ca 0.61 -0.62 -0.20 0.00 -0.12 0.00 0.00 64.86 64.52 1shp h ILE 52 Cb 1.12 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.88 1shp h ILE 52 CO -0.48 0.00 -2.00 0.00 -0.68 0.00 0.00 178.15 174.99 1shp n ARG 54 N -2.64 -3.77 0.00 0.00 0.00 0.13 -4.99 116.66 105.40 1shp n ARG 54 Ca -0.18 2.84 0.00 0.00 -0.00 0.00 0.00 57.85 60.51 1shp n ARG 54 Cb 0.89 -2.97 0.00 0.00 0.00 0.00 0.00 32.46 30.38 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63