#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 0.53 -0.44 2.46 3.07 -1.99 -1.67 117.51 119.47 1shp h ILE 2 Ca 0.00 -0.09 0.13 0.00 1.55 0.00 0.00 64.86 66.45 1shp h ILE 2 Cb 0.00 0.24 -0.02 0.00 -0.27 0.00 0.00 36.82 36.78 1shp h ILE 2 CO 0.00 0.05 0.54 0.00 -1.05 0.00 0.00 178.15 177.69 1shp h SER 4 N 0.00 0.55 -2.39 0.00 0.02 -1.57 -3.38 113.55 106.78 1shp h SER 4 Ca 0.21 -0.33 -0.58 0.00 -0.84 0.00 0.00 61.79 60.24 1shp h SER 4 Cb 1.30 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 1shp h SER 4 CO -0.00 1.06 1.36 -1.61 -1.14 0.00 0.00 176.83 176.50 1shp s GLU 5 N -3.77 3.26 0.47 3.45 0.41 0.17 -4.57 118.70 118.11 1shp s GLU 5 Ca -0.06 1.68 -0.23 0.00 -0.41 0.00 0.00 54.97 55.95 1shp s GLU 5 Cb 0.11 -4.27 -0.07 0.00 -1.78 0.00 0.00 34.13 28.12 1shp s GLU 5 CO 0.84 -1.95 1.21 -1.25 -0.49 0.00 0.00 175.26 173.62 1shp s PRO 6 N 5.93 3.68 0.05 0.39 0.04 -1.26 -4.74 135.00 139.09 1shp s PRO 6 Ca 0.88 1.88 -0.25 0.00 0.04 0.00 0.00 61.00 63.56 1shp s PRO 6 Cb -0.27 -2.42 -0.13 0.00 0.04 0.00 0.00 34.50 31.72 1shp s PRO 6 CO 0.34 -0.65 0.61 1.17 0.04 0.00 0.00 177.00 178.52 1shp n LYS 7 N -0.51 0.00 -4.00 4.56 4.81 -1.26 -4.96 118.16 116.80 1shp n LYS 7 Ca 0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.41 1shp n LYS 7 Cb 0.47 -0.93 -0.11 0.00 0.02 0.00 0.00 35.03 34.48 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 -0.26 0.35 -0.01 1.64 1.02 -1.26 -5.09 119.74 116.14 1shp s LYS 8 Ca 0.57 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.98 1shp s LYS 8 Cb -0.80 -0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 36.44 1shp s LYS 8 CO 0.40 -0.01 0.04 0.28 -0.92 0.00 0.00 175.35 175.14 1shp n VAL 9 N 1.70 0.04 -0.71 3.17 0.31 -1.25 -4.50 118.33 117.09 1shp n VAL 9 Ca -0.22 -0.06 0.01 0.00 -0.01 0.00 0.00 64.34 64.05 1shp n VAL 9 Cb 0.55 0.08 -0.00 0.00 -0.91 0.00 0.00 33.84 33.56 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 2.50 -3.35 2.05 2.92 0.00 -0.79 -4.06 105.19 104.46 1shp n GLY 10 Ca -0.01 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.08 1.87 -4.69 1.61 -4.01 -1.26 -4.85 116.66 103.24 1shp n ARG 11 Ca -0.00 -0.94 -0.24 0.00 -1.04 0.00 0.00 57.85 55.62 1shp n ARG 11 Cb 0.23 -1.98 -0.15 0.00 -3.04 0.00 0.00 32.46 27.53 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 2.23 3.35 -4.09 0.00 0.00 -1.26 -4.82 118.16 113.58 1shp n LYS 13 Ca -0.16 -3.65 -0.16 0.00 0.00 0.00 0.00 58.31 54.33 1shp n LYS 13 Cb 0.54 -3.12 -0.05 0.00 0.00 0.00 0.00 35.03 32.40 1shp n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1shp n GLY 14 N 4.17 2.33 2.95 3.14 0.00 -1.14 -5.07 105.19 111.57 1shp n GLY 14 Ca 0.40 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 1shp n GLY 14 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1shp s TYR 15 N -3.03 -0.40 -0.12 1.61 6.14 -1.12 -4.43 117.35 116.00 1shp s TYR 15 Ca 0.33 0.81 -0.04 0.00 0.64 0.00 0.00 57.07 58.81 1shp s TYR 15 Cb -0.00 -0.11 0.06 0.00 0.42 0.00 0.00 41.96 42.33 1shp s TYR 15 CO 0.23 -0.41 0.21 -0.06 0.64 0.00 0.00 175.55 176.17 1shp s PHE 16 N 2.40 -0.30 0.18 4.97 0.40 -1.26 -4.89 117.98 119.48 1shp s PHE 16 Ca 0.03 0.73 -0.30 0.00 -0.60 0.00 0.00 56.93 56.79 1shp s PHE 16 Cb -0.13 -0.17 -0.08 0.00 0.51 0.00 0.00 43.02 43.15 1shp s PHE 16 CO -0.09 -0.34 1.23 -1.25 0.70 0.00 0.00 175.22 175.47 1shp s PRO 17 N 2.35 4.45 0.29 0.24 0.04 -1.26 -0.28 135.00 140.84 1shp s PRO 17 Ca 0.03 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.02 1shp s PRO 17 Cb -0.12 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1shp s PRO 17 CO -0.08 -0.15 0.25 1.03 0.04 0.00 0.00 177.00 178.09 1shp s ARG 18 N -0.08 1.60 -0.03 4.56 1.81 0.30 -4.85 118.95 122.26 1shp s ARG 18 Ca 0.55 -1.87 0.05 0.00 -1.72 0.00 0.00 55.73 52.74 1shp s ARG 18 Cb -0.34 0.32 -0.01 0.00 -0.45 0.00 0.00 34.95 34.48 1shp s ARG 18 CO 0.36 -0.58 -0.18 -0.06 -0.68 0.00 0.00 175.30 174.16 1shp s PHE 19 N -3.64 1.77 0.14 -0.53 0.40 0.13 -0.11 117.98 116.14 1shp s PHE 19 Ca 0.39 -0.45 0.11 0.00 -0.60 0.00 0.00 56.93 56.38 1shp s PHE 19 Cb 0.03 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 1shp s PHE 19 CO 0.22 -0.12 -0.24 1.52 0.70 0.00 0.00 175.22 177.30 1shp s TYR 20 N -0.15 2.37 -0.62 0.36 1.13 0.06 -0.49 117.35 120.01 1shp s TYR 20 Ca 0.00 -0.34 -0.27 0.00 -1.41 0.00 0.00 57.07 55.05 1shp s TYR 20 Cb -0.10 -1.25 -0.01 0.00 -1.10 0.00 0.00 41.96 39.49 1shp s TYR 20 CO 0.01 0.39 1.77 0.12 -2.51 0.00 0.00 175.55 175.33 1shp s PHE 21 N -1.22 1.76 -0.54 -3.49 2.19 -1.26 -0.71 117.98 114.71 1shp s PHE 21 Ca 0.17 0.67 -0.27 0.00 0.33 0.00 0.00 56.93 57.82 1shp s PHE 21 Cb -0.10 -4.17 -0.00 0.00 -1.31 0.00 0.00 43.02 37.44 1shp s PHE 21 CO 0.08 -2.28 1.65 0.34 1.83 0.00 0.00 175.22 176.83 1shp s ASP 22 N 7.41 5.77 0.00 6.13 -1.08 0.12 -4.69 116.67 130.32 1shp s ASP 22 Ca 0.63 0.49 0.31 0.00 -0.52 0.00 0.00 52.55 53.45 1shp s ASP 22 Cb -0.12 -2.54 1.68 0.00 -1.46 0.00 0.00 42.92 40.48 1shp s ASP 22 CO 0.20 -1.96 2.10 -0.24 0.52 0.00 0.00 175.17 175.79 1shp n SER 23 N 10.88 0.39 -0.03 -0.34 2.88 -1.26 0.31 113.62 126.44 1shp n SER 23 Ca 0.17 -1.11 -0.18 0.00 -1.33 0.00 0.00 58.87 56.42 1shp n SER 23 Cb 0.50 -0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.61 0.12 0.00 -1.46 5.08 -1.91 -3.32 114.58 113.70 1shp h GLU 24 Ca 0.00 -0.21 -0.21 0.00 -1.00 0.00 0.00 59.36 57.95 1shp h GLU 24 Cb 0.14 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1shp h GLU 24 CO 0.00 1.10 -0.98 1.79 -1.00 0.00 0.00 179.01 179.92 1shp h THR 25 N -0.72 1.70 0.00 1.13 1.35 -1.98 -3.48 112.91 110.91 1shp h THR 25 Ca -0.12 -3.33 0.00 0.00 -0.55 0.00 0.00 66.41 62.41 1shp h THR 25 Cb 1.33 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 1shp h THR 25 CO 0.03 0.95 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 1shp n GLY 26 N 1.28 0.39 3.18 5.82 0.00 0.15 -5.07 105.19 110.94 1shp n GLY 26 Ca -0.00 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.92 0.96 0.21 1.61 1.02 0.24 -4.94 119.74 114.92 1shp s LYS 27 Ca 0.00 -0.88 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 1shp s LYS 27 Cb 0.00 -1.01 -0.09 0.00 -0.52 0.00 0.00 37.83 36.21 1shp s LYS 27 CO 0.00 0.24 1.29 0.00 -0.92 0.00 0.00 175.35 175.96 1shp s THR 29 N -0.05 -0.00 0.73 0.00 2.01 0.11 -4.86 115.64 113.58 1shp s THR 29 Ca 0.55 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.44 1shp s THR 29 Cb -0.36 -0.59 0.03 0.00 0.01 0.00 0.00 72.50 71.59 1shp s THR 29 CO 0.39 0.00 1.08 -2.16 -0.69 0.00 0.00 174.62 173.25 1shp s PRO 30 N 0.29 2.53 0.19 4.92 0.04 -1.26 -0.76 135.00 140.95 1shp s PRO 30 Ca -0.01 1.15 -0.21 0.00 0.04 0.00 0.00 61.00 61.98 1shp s PRO 30 Cb -0.03 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.62 1shp s PRO 30 CO -0.00 -1.43 0.60 -0.59 0.04 0.00 0.00 177.00 175.61 1shp s PHE 31 N -2.84 -0.33 -0.34 0.56 -0.71 0.84 -4.80 117.98 110.36 1shp s PHE 31 Ca 0.61 0.02 -0.18 0.00 -1.04 0.00 0.00 56.93 56.34 1shp s PHE 31 Cb -0.17 0.53 -0.00 0.00 -1.21 0.00 0.00 43.02 42.17 1shp s PHE 31 CO 0.53 -0.95 0.53 0.42 -1.34 0.00 0.00 175.22 174.41 1shp s ILE 32 N -3.82 5.00 -0.12 -4.49 -1.09 -1.26 -0.54 121.20 114.88 1shp s ILE 32 Ca 0.06 0.43 0.30 0.00 -2.23 0.00 0.00 60.65 59.20 1shp s ILE 32 Cb -0.02 -3.97 0.36 0.00 -1.58 0.00 0.00 42.46 37.26 1shp s ILE 32 CO -0.06 -0.20 1.86 0.22 -1.23 0.00 0.00 174.94 175.53 1shp h TYR 33 N 8.42 0.00 0.00 3.97 3.20 -0.94 -3.42 116.97 128.20 1shp h TYR 33 Ca -0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1shp h TYR 33 Cb 1.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.39 1shp h TYR 33 CO 0.73 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.66 1shp n GLY 34 N 0.35 1.41 0.00 1.82 0.00 -1.26 -3.84 105.19 103.68 1shp n GLY 34 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.27 3.40 -0.02 0.00 -1.26 -2.81 105.19 105.76 1shp n GLY 35 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.52 -0.29 0.00 0.00 0.00 -1.26 -3.12 105.19 100.01 1shp n GLY 37 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.75 0.99 0.00 -0.02 0.00 -1.26 -1.89 105.19 101.26 1shp n GLY 38 Ca -0.09 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.00 0.03 1.61 0.23 -1.26 -4.85 115.26 111.02 1shp n ASN 39 Ca 0.00 -0.85 0.12 0.00 -0.53 0.00 0.00 54.58 53.32 1shp n ASN 39 Cb 0.00 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 37.96 1shp n ASN 39 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1shp n GLY 40 N 0.00 -1.35 2.50 4.83 0.00 -1.26 -4.44 105.19 105.47 1shp n GLY 40 Ca 0.00 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1shp n GLY 40 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1shp n ASN 41 N -1.76 6.66 -3.13 1.61 5.15 -1.26 -4.70 115.26 117.84 1shp n ASN 41 Ca 0.05 -2.65 -0.01 0.00 -0.60 0.00 0.00 54.58 51.37 1shp n ASN 41 Cb 0.38 -1.55 -0.01 0.00 -0.53 0.00 0.00 39.78 38.07 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 2.69 -1.40 0.10 1.20 2.47 -1.25 -4.19 114.94 114.56 1shp s ASN 42 Ca 0.60 -1.02 0.07 0.00 0.42 0.00 0.00 52.86 52.93 1shp s ASN 42 Cb 0.16 1.89 -0.03 0.00 -1.45 0.00 0.00 41.25 41.82 1shp s ASN 42 CO -0.06 -0.15 -0.19 -0.36 -3.72 0.00 0.00 177.10 172.62 1shp s PHE 43 N 1.62 1.66 0.20 0.43 0.08 0.36 -4.92 117.98 117.40 1shp s PHE 43 Ca 0.19 -0.44 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 1shp s PHE 43 Cb -0.04 -0.90 0.12 0.00 -0.57 0.00 0.00 43.02 41.64 1shp s PHE 43 CO -0.06 0.18 1.84 1.49 -0.10 0.00 0.00 175.22 178.56 1shp h GLU 44 N 4.03 0.93 -4.69 0.44 4.57 -1.90 0.38 114.58 118.34 1shp h GLU 44 Ca -0.44 -0.08 -0.24 0.00 -1.18 0.00 0.00 59.36 57.41 1shp h GLU 44 Cb 1.19 -0.20 -0.15 0.00 -0.16 0.00 0.00 28.75 29.43 1shp h GLU 44 CO 0.41 0.66 -0.70 0.95 -1.18 0.00 0.00 179.01 179.15 1shp s THR 45 N -5.98 0.73 0.21 0.32 -4.23 -1.26 -4.45 115.64 100.98 1shp s THR 45 Ca -0.13 -1.89 -0.10 0.00 -1.18 0.00 0.00 61.69 58.38 1shp s THR 45 Cb 0.14 -1.63 0.17 0.00 1.34 0.00 0.00 72.50 72.52 1shp s THR 45 CO 0.78 -0.83 1.69 0.25 -0.54 0.00 0.00 174.62 175.97 1shp h LEU 46 N 3.05 -0.11 -0.59 4.79 5.85 -1.93 0.06 115.31 126.43 1shp h LEU 46 Ca -0.35 0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.61 1shp h LEU 46 Cb 1.17 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 42.28 1shp h LEU 46 CO 0.63 -0.04 -0.15 -0.74 -0.34 0.00 0.00 178.44 177.80 1shp h HIS 47 N 0.20 -0.31 0.16 1.25 2.76 -1.98 0.22 115.15 117.45 1shp h HIS 47 Ca 0.31 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1shp h HIS 47 Cb 0.48 0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1shp h HIS 47 CO -0.29 -0.25 -0.07 0.37 -1.30 0.00 0.00 177.93 176.38 1shp h GLN 48 N 0.00 -0.20 -0.69 5.26 4.15 -1.82 0.74 115.11 122.55 1shp h GLN 48 Ca 0.29 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.86 1shp h GLN 48 Cb 0.44 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 28.07 1shp h GLN 48 CO -0.61 0.15 0.15 0.00 -1.93 0.00 0.00 178.83 176.59 1shp n ARG 50 N -5.16 0.00 -0.32 0.00 0.63 0.75 -3.00 116.66 109.55 1shp n ARG 50 Ca 0.12 0.35 0.20 0.00 -0.92 0.00 0.00 57.85 57.60 1shp n ARG 50 Cb 0.41 -1.34 0.39 0.00 0.45 0.00 0.00 32.46 32.37 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 -1.98 1.54 -0.74 5.13 0.00 -0.27 0.50 119.26 123.44 1shp h ALA 51 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1shp h ALA 51 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1shp h ALA 51 CO 0.00 -0.64 0.29 0.82 0.00 0.00 0.00 179.25 179.73 1shp h ILE 52 N 0.10 1.25 0.00 0.00 2.04 -1.06 -3.38 117.51 116.47 1shp h ILE 52 Ca 0.66 -0.80 -0.42 0.00 1.00 0.00 0.00 64.86 65.31 1shp h ILE 52 Cb 1.50 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 1shp h ILE 52 CO -0.77 0.32 -2.48 0.00 0.00 0.00 0.00 178.15 175.23 1shp s ARG 54 N -2.50 0.76 0.00 0.00 3.52 0.62 -5.09 118.95 116.25 1shp s ARG 54 Ca -0.36 -0.04 0.12 0.00 -0.13 0.00 0.00 55.73 55.32 1shp s ARG 54 Cb 0.11 0.35 0.69 0.00 -1.56 0.00 0.00 34.95 34.54 1shp s ARG 54 CO 0.53 -0.21 1.13 0.00 -0.81 0.00 0.00 175.30 175.94