#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 -0.61 2.46 3.07 -1.99 -0.45 117.51 120.37 1shp h ILE 2 Ca 0.00 -0.04 0.24 0.00 1.55 0.00 0.00 64.86 66.60 1shp h ILE 2 Cb 0.00 0.24 -0.11 0.00 -0.27 0.00 0.00 36.82 36.68 1shp h ILE 2 CO 0.00 0.02 0.26 0.00 -1.05 0.00 0.00 178.15 177.38 1shp h SER 4 N 0.00 0.00 -4.09 0.00 0.02 -1.44 -3.44 113.55 104.60 1shp h SER 4 Ca 0.49 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.90 1shp h SER 4 Cb 1.24 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.90 1shp h SER 4 CO -0.49 0.17 0.49 -1.61 -1.14 0.00 0.00 176.83 174.24 1shp s GLU 5 N -3.62 2.94 0.88 3.45 2.02 0.06 -5.04 118.70 119.38 1shp s GLU 5 Ca 0.01 1.88 -0.14 0.00 0.02 0.00 0.00 54.97 56.74 1shp s GLU 5 Cb 0.10 -1.94 0.13 0.00 0.10 0.00 0.00 34.13 32.51 1shp s GLU 5 CO 0.62 -1.24 1.23 -1.25 0.02 0.00 0.00 175.26 174.64 1shp s PRO 6 N -3.30 1.38 0.38 0.39 0.04 -1.26 -4.83 135.00 127.80 1shp s PRO 6 Ca 0.78 -0.08 -0.26 0.00 0.04 0.00 0.00 61.00 61.47 1shp s PRO 6 Cb -0.32 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.21 1shp s PRO 6 CO 0.35 -1.96 1.16 1.17 0.04 0.00 0.00 177.00 177.76 1shp n LYS 7 N -3.53 1.73 -3.77 4.56 4.81 -1.26 -4.83 118.16 115.87 1shp n LYS 7 Ca 0.11 0.61 -0.13 0.00 -0.87 0.00 0.00 58.31 58.03 1shp n LYS 7 Cb 0.60 -2.19 -0.14 0.00 0.02 0.00 0.00 35.03 33.33 1shp n LYS 7 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1shp s LYS 8 N -1.97 0.13 0.02 1.64 1.02 -1.26 -5.09 119.74 114.22 1shp s LYS 8 Ca 0.60 0.33 -0.26 0.00 0.02 0.00 0.00 55.97 56.66 1shp s LYS 8 Cb -0.57 -0.10 -0.16 0.00 -0.52 0.00 0.00 37.83 36.48 1shp s LYS 8 CO 0.59 -0.12 1.28 0.28 -0.92 0.00 0.00 175.35 176.46 1shp h VAL 9 N 5.70 0.59 0.00 3.17 2.07 -1.93 -3.45 116.25 122.40 1shp h VAL 9 Ca -0.37 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1shp h VAL 9 Cb 1.16 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1shp h VAL 9 CO 0.42 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.70 1shp n GLY 10 N -0.49 0.74 0.00 2.17 0.00 -1.26 -0.19 105.19 106.16 1shp n GLY 10 Ca -0.10 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 1.99 -1.98 1.61 -4.01 0.35 -4.91 116.66 109.70 1shp n ARG 11 Ca 0.00 0.00 -0.31 0.00 -1.04 0.00 0.00 57.85 56.50 1shp n ARG 11 Cb 0.00 -0.91 0.00 0.00 -3.04 0.00 0.00 32.46 28.51 1shp n ARG 11 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1shp n LYS 13 N -2.45 2.97 -1.76 0.00 4.81 -1.24 -4.41 118.16 116.09 1shp n LYS 13 Ca 0.06 -3.72 -0.30 0.00 -0.87 0.00 0.00 58.31 53.49 1shp n LYS 13 Cb 0.54 -2.27 0.18 0.00 0.02 0.00 0.00 35.03 33.49 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 -2.07 1.71 -0.63 3.14 0.00 0.64 -5.02 107.32 105.08 1shp s GLY 14 Ca 0.55 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 44.29 1shp s GLY 14 CO -0.20 -0.30 0.44 -0.47 0.00 0.00 0.00 173.10 172.57 1shp s TYR 15 N -3.66 2.99 -0.43 1.90 5.04 -1.25 -4.25 117.35 117.69 1shp s TYR 15 Ca 0.71 -3.09 -0.10 0.00 -2.44 0.00 0.00 57.07 52.15 1shp s TYR 15 Cb -0.07 -2.32 0.08 0.00 0.35 0.00 0.00 41.96 40.00 1shp s TYR 15 CO 0.53 -0.62 0.28 -0.06 -1.34 0.00 0.00 175.55 174.34 1shp s PHE 16 N -1.02 3.33 -0.21 4.97 0.40 0.13 -4.96 117.98 120.62 1shp s PHE 16 Ca 0.26 -1.48 -0.29 0.00 -0.60 0.00 0.00 56.93 54.82 1shp s PHE 16 Cb -0.05 -3.00 -0.04 0.00 0.51 0.00 0.00 43.02 40.44 1shp s PHE 16 CO -0.16 -0.85 1.89 -1.25 0.70 0.00 0.00 175.22 175.55 1shp s PRO 17 N 1.44 3.53 0.49 0.24 0.04 -1.26 -0.39 135.00 139.10 1shp s PRO 17 Ca 0.03 1.85 0.02 0.00 0.04 0.00 0.00 61.00 62.94 1shp s PRO 17 Cb -0.23 -4.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.10 1shp s PRO 17 CO 0.02 -1.63 0.02 1.03 0.04 0.00 0.00 177.00 176.49 1shp s ARG 18 N 5.39 2.15 0.05 4.56 1.81 0.18 -4.90 118.95 128.19 1shp s ARG 18 Ca 0.85 -2.37 0.06 0.00 -1.72 0.00 0.00 55.73 52.55 1shp s ARG 18 Cb -0.29 -1.37 -0.02 0.00 -0.45 0.00 0.00 34.95 32.81 1shp s ARG 18 CO 0.34 -0.38 -0.18 -0.06 -0.68 0.00 0.00 175.30 174.34 1shp s PHE 19 N -2.93 1.53 0.07 -0.53 0.40 0.18 -0.21 117.98 116.48 1shp s PHE 19 Ca 0.09 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1shp s PHE 19 Cb 0.02 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.62 1shp s PHE 19 CO 0.05 0.08 -0.08 1.52 0.70 0.00 0.00 175.22 177.49 1shp s TYR 20 N -0.89 0.81 -0.48 0.36 1.13 0.23 -0.49 117.35 118.03 1shp s TYR 20 Ca 0.04 -0.63 -0.27 0.00 -1.41 0.00 0.00 57.07 54.81 1shp s TYR 20 Cb -0.09 -0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 40.26 1shp s TYR 20 CO 0.02 -0.08 2.05 0.12 -2.51 0.00 0.00 175.55 175.14 1shp s PHE 21 N -2.10 1.47 -0.34 -3.49 2.19 -1.26 -0.50 117.98 113.95 1shp s PHE 21 Ca -0.02 0.96 -0.29 0.00 0.33 0.00 0.00 56.93 57.91 1shp s PHE 21 Cb -0.05 -3.93 0.01 0.00 -1.31 0.00 0.00 43.02 37.74 1shp s PHE 21 CO -0.01 -2.69 1.17 0.34 1.83 0.00 0.00 175.22 175.86 1shp s ASP 22 N 8.91 6.79 0.19 6.13 -1.08 0.47 -4.77 116.67 133.33 1shp s ASP 22 Ca 0.82 1.01 0.24 0.00 -0.52 0.00 0.00 52.55 54.10 1shp s ASP 22 Cb -0.18 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.08 1shp s ASP 22 CO 0.26 -1.01 1.37 -1.28 0.52 0.00 0.00 175.17 175.04 1shp h SER 23 N 8.70 0.00 -0.25 -0.34 0.87 -1.90 0.33 113.55 120.96 1shp h SER 23 Ca -0.23 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.17 1shp h SER 23 Cb 1.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1shp h SER 23 CO 1.05 0.05 -0.05 -0.33 -0.53 0.00 0.00 176.83 177.02 1shp h GLU 24 N 0.00 0.47 0.09 2.24 3.07 -1.95 -3.05 114.58 115.45 1shp h GLU 24 Ca 0.00 -0.17 -0.32 0.00 -0.50 0.00 0.00 59.36 58.36 1shp h GLU 24 Cb 0.83 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 1shp h GLU 24 CO 0.00 0.68 -1.75 1.79 -1.40 0.00 0.00 179.01 178.33 1shp h THR 25 N 0.22 0.87 -1.38 1.13 1.35 -2.00 -3.49 112.91 109.61 1shp h THR 25 Ca 0.06 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 1shp h THR 25 Cb 0.50 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1shp h THR 25 CO 0.02 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 1shp n GLY 26 N 1.75 0.74 2.97 5.82 0.00 0.90 -5.09 105.19 112.29 1shp n GLY 26 Ca -0.22 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.46 0.39 -0.20 1.61 3.01 0.29 -4.84 119.74 115.53 1shp s LYS 27 Ca 0.00 -0.27 -0.29 0.00 -1.01 0.00 0.00 55.97 54.40 1shp s LYS 27 Cb 0.00 -0.33 -0.04 0.00 -1.01 0.00 0.00 37.83 36.45 1shp s LYS 27 CO 0.00 0.09 1.85 0.00 0.51 0.00 0.00 175.35 177.80 1shp s THR 29 N 6.19 0.78 0.68 0.00 2.01 0.35 -4.92 115.64 120.74 1shp s THR 29 Ca 0.83 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.96 1shp s THR 29 Cb -0.29 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.51 1shp s THR 29 CO 0.33 -0.00 1.10 -2.16 -0.69 0.00 0.00 174.62 173.20 1shp s PRO 30 N -0.82 2.72 0.16 4.92 0.04 -1.26 -0.60 135.00 140.16 1shp s PRO 30 Ca -0.00 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 1shp s PRO 30 Cb -0.06 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1shp s PRO 30 CO 0.00 -1.30 0.47 -0.59 0.04 0.00 0.00 177.00 175.63 1shp s PHE 31 N -2.50 -0.21 -0.39 0.56 -0.71 0.70 -4.79 117.98 110.64 1shp s PHE 31 Ca 0.65 -0.10 -0.19 0.00 -1.04 0.00 0.00 56.93 56.25 1shp s PHE 31 Cb -0.19 0.35 0.01 0.00 -1.21 0.00 0.00 43.02 41.97 1shp s PHE 31 CO 0.45 -0.80 0.54 0.42 -1.34 0.00 0.00 175.22 174.49 1shp s ILE 32 N -3.82 4.97 0.19 -4.49 -1.09 -1.26 -0.65 121.20 115.04 1shp s ILE 32 Ca 0.05 0.13 -0.13 0.00 -2.23 0.00 0.00 60.65 58.48 1shp s ILE 32 Cb 0.00 -4.06 -0.07 0.00 -1.58 0.00 0.00 42.46 36.76 1shp s ILE 32 CO -0.09 -0.38 0.56 -0.47 -1.23 0.00 0.00 174.94 173.33 1shp s TYR 33 N 2.48 3.52 -1.34 3.97 5.04 0.47 -4.73 117.35 126.77 1shp s TYR 33 Ca 0.19 1.00 0.30 0.00 -2.44 0.00 0.00 57.07 56.12 1shp s TYR 33 Cb -0.15 -2.34 1.43 0.00 0.35 0.00 0.00 41.96 41.24 1shp s TYR 33 CO 0.15 0.35 2.01 0.41 -1.34 0.00 0.00 175.55 177.13 1shp n GLY 34 N 0.38 -1.31 0.55 8.97 0.00 0.74 -0.69 105.19 113.83 1shp n GLY 34 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 1.34 2.75 3.19 -0.02 0.00 -1.26 -0.26 105.19 110.93 1shp n GLY 35 Ca 0.13 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 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 1.95 0.99 3.74 0.00 0.00 -1.26 -0.50 105.19 110.12 1shp n GLY 37 Ca -0.17 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.01 2.84 0.00 -0.02 0.00 -1.26 -4.39 107.32 102.48 1shp s GLY 38 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 44.72 45.91 1shp s GLY 38 CO 0.00 1.63 0.00 1.16 0.00 0.00 0.00 173.10 175.89 1shp n ASN 39 N -1.53 0.00 -0.01 1.64 6.94 -1.26 -5.06 115.26 115.98 1shp n ASN 39 Ca 0.13 -0.12 -0.20 0.00 -0.02 0.00 0.00 54.58 54.38 1shp n ASN 39 Cb 0.48 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.76 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 0.21 -6.66 4.83 0.00 -1.95 -3.39 103.07 96.11 1shp h GLY 40 Ca 0.00 -0.55 -0.62 0.00 0.00 0.00 0.00 47.33 46.16 1shp h GLY 40 CO 0.00 0.48 2.30 -2.01 0.00 0.00 0.00 176.54 177.31 1shp n ASN 41 N -4.14 3.20 -3.19 0.19 5.15 -1.25 -4.68 115.26 110.53 1shp n ASN 41 Ca -0.21 -2.75 0.02 0.00 -0.60 0.00 0.00 54.58 51.04 1shp n ASN 41 Cb 0.79 -1.42 -0.01 0.00 -0.53 0.00 0.00 39.78 38.62 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 4.71 -1.57 0.00 1.20 3.04 -1.26 -4.61 114.94 116.46 1shp s ASN 42 Ca 0.56 -0.42 0.04 0.00 0.04 0.00 0.00 52.86 53.08 1shp s ASN 42 Cb 0.11 1.99 -0.01 0.00 -1.54 0.00 0.00 41.25 41.80 1shp s ASN 42 CO 0.07 -0.22 -0.11 -0.36 -3.04 0.00 0.00 177.10 173.43 1shp s PHE 43 N 2.22 0.99 0.23 0.43 0.08 0.36 -4.95 117.98 117.34 1shp s PHE 43 Ca 0.14 -0.23 -0.06 0.00 0.12 0.00 0.00 56.93 56.90 1shp s PHE 43 Cb -0.06 -0.63 0.36 0.00 -0.57 0.00 0.00 43.02 42.12 1shp s PHE 43 CO -0.14 -0.01 1.78 1.49 -0.10 0.00 0.00 175.22 178.24 1shp h GLU 44 N 5.62 0.61 -4.51 0.44 4.57 -1.90 0.52 114.58 119.92 1shp h GLU 44 Ca -0.33 -0.04 -0.20 0.00 -1.18 0.00 0.00 59.36 57.61 1shp h GLU 44 Cb 1.18 -0.14 -0.16 0.00 -0.16 0.00 0.00 28.75 29.47 1shp h GLU 44 CO 0.48 0.40 -0.70 0.95 -1.18 0.00 0.00 179.01 178.96 1shp s THR 45 N -6.05 0.54 0.21 0.32 -4.23 -1.26 -4.36 115.64 100.81 1shp s THR 45 Ca -0.13 -1.75 -0.10 0.00 -1.18 0.00 0.00 61.69 58.54 1shp s THR 45 Cb 0.18 -1.44 0.17 0.00 1.34 0.00 0.00 72.50 72.75 1shp s THR 45 CO 0.77 -0.82 1.70 0.25 -0.54 0.00 0.00 174.62 175.97 1shp h LEU 46 N 3.28 -0.04 -0.65 4.79 5.85 -1.91 -0.99 115.31 125.64 1shp h LEU 46 Ca -0.35 0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.62 1shp h LEU 46 Cb 1.17 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 42.25 1shp h LEU 46 CO 0.61 -0.01 -0.19 -0.74 -0.34 0.00 0.00 178.44 177.76 1shp h HIS 47 N 0.24 -0.45 0.30 1.25 2.76 -1.98 0.31 115.15 117.58 1shp h HIS 47 Ca 0.32 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.54 1shp h HIS 47 Cb 0.50 0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.76 1shp h HIS 47 CO -0.27 -0.30 -0.14 0.37 -1.30 0.00 0.00 177.93 176.29 1shp h GLN 48 N -0.03 -0.38 -0.70 5.26 4.15 -1.80 0.78 115.11 122.38 1shp h GLN 48 Ca 0.30 0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.88 1shp h GLN 48 Cb 0.50 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.19 1shp h GLN 48 CO -0.68 -0.10 0.25 0.00 -1.93 0.00 0.00 178.83 176.37 1shp h ARG 50 N 0.40 -0.38 -0.84 0.00 2.43 -0.32 0.33 114.38 116.00 1shp h ARG 50 Ca 0.38 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.74 1shp h ARG 50 Cb 0.56 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 30.09 1shp h ARG 50 CO -0.39 -0.11 0.38 0.00 -1.51 0.00 0.00 179.97 178.34 1shp h ALA 51 N -0.00 1.27 0.39 2.80 0.00 -0.35 0.30 119.26 123.66 1shp h ALA 51 Ca -0.04 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1shp h ALA 51 Cb 0.45 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1shp h ALA 51 CO 0.07 -0.20 -0.19 0.82 0.00 0.00 0.00 179.25 179.75 1shp h ILE 52 N 0.50 0.40 0.00 0.00 2.04 -0.61 -3.42 117.51 116.42 1shp h ILE 52 Ca 0.48 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1shp h ILE 52 Cb 0.78 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1shp h ILE 52 CO -0.43 0.08 -0.95 0.00 0.00 0.00 0.00 178.15 176.85 1shp n ARG 54 N -1.65 -3.59 0.00 0.00 0.00 0.10 -5.01 116.66 106.51 1shp n ARG 54 Ca 0.00 2.73 0.00 0.00 -0.00 0.00 0.00 57.85 60.58 1shp n ARG 54 Cb 0.21 -2.85 0.00 0.00 0.00 0.00 0.00 32.46 29.82 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63