#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 0.59 -1.04 2.46 3.07 -2.01 -0.67 117.51 119.91 1shp h ILE 2 Ca 0.00 -0.03 0.30 0.00 1.55 0.00 0.00 64.86 66.69 1shp h ILE 2 Cb 0.00 0.51 -0.04 0.00 -0.27 0.00 0.00 36.82 37.02 1shp h ILE 2 CO 0.00 0.01 0.84 0.00 -1.05 0.00 0.00 178.15 177.95 1shp h SER 4 N 0.00 0.00 -4.09 0.00 0.02 -1.40 -3.40 113.55 104.68 1shp h SER 4 Ca 0.49 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.89 1shp h SER 4 Cb 2.17 0.00 0.15 0.00 0.14 0.00 0.00 62.40 64.86 1shp h SER 4 CO -0.01 0.00 0.54 -1.61 -1.14 0.00 0.00 176.83 174.62 1shp s GLU 5 N -3.17 2.76 0.93 3.45 2.02 -0.44 -4.75 118.70 119.50 1shp s GLU 5 Ca 0.09 2.10 -0.12 0.00 0.02 0.00 0.00 54.97 57.05 1shp s GLU 5 Cb 0.09 -1.97 0.15 0.00 0.10 0.00 0.00 34.13 32.50 1shp s GLU 5 CO 0.62 -1.45 1.13 -1.25 0.02 0.00 0.00 175.26 174.33 1shp s PRO 6 N -3.23 0.99 0.34 0.39 0.04 -1.26 -4.72 135.00 127.56 1shp s PRO 6 Ca 0.79 0.31 -0.28 0.00 0.04 0.00 0.00 61.00 61.86 1shp s PRO 6 Cb -0.38 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1shp s PRO 6 CO 0.42 -2.30 1.27 0.21 0.04 0.00 0.00 177.00 176.63 1shp s LYS 7 N -5.24 4.30 -0.02 4.56 2.20 -1.26 -4.99 119.74 119.29 1shp s LYS 7 Ca 0.64 2.12 -0.16 0.00 -0.36 0.00 0.00 55.97 58.21 1shp s LYS 7 Cb -0.15 -2.99 0.03 0.00 -1.51 0.00 0.00 37.83 33.20 1shp s LYS 7 CO 0.54 -0.20 0.34 -1.59 -0.36 0.00 0.00 175.35 174.08 1shp s LYS 8 N -1.88 0.70 0.00 4.03 0.00 -1.26 -5.12 119.74 116.22 1shp s LYS 8 Ca 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 55.97 56.33 1shp s LYS 8 Cb -0.38 0.31 0.00 0.00 0.00 0.00 0.00 37.83 37.77 1shp s LYS 8 CO 0.49 -0.20 0.00 0.28 0.00 0.00 0.00 175.35 175.93 1shp n VAL 9 N 1.25 0.00 0.00 1.79 0.31 -1.26 -4.62 118.33 115.79 1shp n VAL 9 Ca -0.21 0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1shp n VAL 9 Cb 0.56 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 1.92 0.66 0.17 2.92 0.00 -1.26 -0.39 105.19 109.20 1shp n GLY 10 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 1shp n GLY 10 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1shp h ARG 11 N 0.00 0.53 -6.94 1.61 0.11 -0.95 -3.42 114.38 105.32 1shp h ARG 11 Ca 0.00 -0.47 -0.50 0.00 0.10 0.00 0.00 59.98 59.10 1shp h ARG 11 Cb 0.00 0.11 0.05 0.00 1.11 0.00 0.00 29.97 31.24 1shp h ARG 11 CO 0.00 1.10 0.49 0.00 0.10 0.00 0.00 179.97 181.66 1shp h LYS 13 N 2.65 0.00 0.00 0.00 1.63 -1.82 -3.40 116.57 115.63 1shp h LYS 13 Ca -0.49 0.00 0.27 0.00 -0.85 0.00 0.00 60.65 59.58 1shp h LYS 13 Cb 1.23 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.79 1shp h LYS 13 CO 0.63 0.04 -0.36 0.41 -3.45 0.00 0.00 179.45 176.72 1shp n GLY 14 N 1.77 -1.40 2.77 5.01 0.00 -1.24 -3.96 105.19 108.14 1shp n GLY 14 Ca -0.01 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.66 -0.42 -0.23 1.61 5.04 -1.25 -4.77 117.35 115.66 1shp s TYR 15 Ca 0.00 -0.46 -0.02 0.00 -2.44 0.00 0.00 57.07 54.16 1shp s TYR 15 Cb 0.00 -0.41 0.07 0.00 0.35 0.00 0.00 41.96 41.97 1shp s TYR 15 CO 0.00 -0.95 0.04 -0.06 -1.34 0.00 0.00 175.55 173.24 1shp s PHE 16 N 1.92 1.47 -0.12 4.97 0.40 0.33 -4.99 117.98 121.95 1shp s PHE 16 Ca 0.13 -1.27 -0.29 0.00 -0.60 0.00 0.00 56.93 54.90 1shp s PHE 16 Cb -0.14 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 1shp s PHE 16 CO -0.18 -0.72 1.65 -1.25 0.70 0.00 0.00 175.22 175.43 1shp s PRO 17 N 1.71 4.00 0.49 0.24 0.04 -1.26 -0.05 135.00 140.17 1shp s PRO 17 Ca 0.01 1.99 0.02 0.00 0.04 0.00 0.00 61.00 63.06 1shp s PRO 17 Cb -0.17 -4.01 -0.02 0.00 0.04 0.00 0.00 34.50 30.33 1shp s PRO 17 CO -0.13 -1.05 0.01 1.03 0.04 0.00 0.00 177.00 176.90 1shp s ARG 18 N 4.34 2.15 -0.01 4.56 1.81 0.26 -4.89 118.95 127.17 1shp s ARG 18 Ca 0.73 -2.35 0.07 0.00 -1.72 0.00 0.00 55.73 52.46 1shp s ARG 18 Cb -0.30 -1.53 -0.02 0.00 -0.45 0.00 0.00 34.95 32.65 1shp s ARG 18 CO 0.29 -0.31 -0.21 -0.06 -0.68 0.00 0.00 175.30 174.33 1shp s PHE 19 N -2.86 1.91 0.12 -0.53 0.40 0.19 -0.33 117.98 116.89 1shp s PHE 19 Ca 0.11 -0.36 0.10 0.00 -0.60 0.00 0.00 56.93 56.17 1shp s PHE 19 Cb 0.03 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 1shp s PHE 19 CO 0.06 -0.01 -0.24 1.52 0.70 0.00 0.00 175.22 177.25 1shp s TYR 20 N -0.54 2.05 -0.39 0.36 1.13 0.28 -0.41 117.35 119.83 1shp s TYR 20 Ca 0.08 -0.40 -0.28 0.00 -1.41 0.00 0.00 57.07 55.06 1shp s TYR 20 Cb -0.08 -1.10 -0.02 0.00 -1.10 0.00 0.00 41.96 39.66 1shp s TYR 20 CO -0.00 0.29 1.80 0.12 -2.51 0.00 0.00 175.55 175.25 1shp s PHE 21 N -1.21 1.80 -0.33 -3.49 2.19 -1.26 -0.69 117.98 114.98 1shp s PHE 21 Ca 0.11 0.68 -0.29 0.00 0.33 0.00 0.00 56.93 57.76 1shp s PHE 21 Cb -0.10 -4.12 -0.01 0.00 -1.31 0.00 0.00 43.02 37.49 1shp s PHE 21 CO 0.06 -2.76 1.54 0.34 1.83 0.00 0.00 175.22 176.22 1shp s ASP 22 N 6.48 6.29 0.00 6.13 -1.08 0.72 -4.72 116.67 130.49 1shp s ASP 22 Ca 0.77 1.20 0.26 0.00 -0.52 0.00 0.00 52.55 54.25 1shp s ASP 22 Cb -0.20 -2.53 1.07 0.00 -1.46 0.00 0.00 42.92 39.80 1shp s ASP 22 CO 0.31 -1.40 1.74 -0.24 0.52 0.00 0.00 175.17 176.10 1shp n SER 23 N 8.90 1.27 -0.09 -0.34 2.88 -1.26 0.42 113.62 125.40 1shp n SER 23 Ca 0.18 -1.49 -0.18 0.00 -1.33 0.00 0.00 58.87 56.05 1shp n SER 23 Cb 0.47 -0.03 -0.12 0.00 -0.75 0.00 0.00 64.21 63.77 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 1.88 0.00 0.00 -1.46 4.39 -1.94 -3.37 114.58 114.07 1shp h GLU 24 Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1shp h GLU 24 Cb 0.40 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1shp h GLU 24 CO 0.00 0.99 -0.89 1.79 -1.16 0.00 0.00 179.01 179.75 1shp h THR 25 N -1.00 0.87 -0.60 1.13 1.35 -1.98 -3.48 112.91 109.20 1shp h THR 25 Ca -0.18 -2.33 -0.06 0.00 -0.55 0.00 0.00 66.41 63.30 1shp h THR 25 Cb 1.15 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1shp h THR 25 CO -0.11 0.49 -0.08 0.61 -0.25 0.00 0.00 175.52 176.19 1shp n GLY 26 N 1.30 0.31 3.14 5.82 0.00 0.17 -5.05 105.19 110.87 1shp n GLY 26 Ca -0.02 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.29 2.28 0.17 1.61 1.02 -0.19 -4.89 119.74 115.45 1shp s LYS 27 Ca 0.01 -0.67 -0.32 0.00 0.02 0.00 0.00 55.97 55.02 1shp s LYS 27 Cb -0.00 -1.83 -0.11 0.00 -0.52 0.00 0.00 37.83 35.37 1shp s LYS 27 CO 0.01 0.16 1.67 0.00 -0.92 0.00 0.00 175.35 176.27 1shp s THR 29 N 1.47 0.02 0.67 0.00 2.01 0.13 -4.88 115.64 115.05 1shp s THR 29 Ca 0.73 -0.16 -0.13 0.00 0.31 0.00 0.00 61.69 62.44 1shp s THR 29 Cb -0.46 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.19 1shp s THR 29 CO 0.32 -0.09 1.06 -2.16 -0.69 0.00 0.00 174.62 173.07 1shp s PRO 30 N -1.18 3.00 0.18 4.92 0.04 -1.26 -0.55 135.00 140.15 1shp s PRO 30 Ca -0.11 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 61.85 1shp s PRO 30 Cb -0.02 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1shp s PRO 30 CO 0.08 -1.06 0.47 -0.59 0.04 0.00 0.00 177.00 175.94 1shp s PHE 31 N -2.79 -0.04 -0.48 0.56 -0.71 0.55 -4.76 117.98 110.31 1shp s PHE 31 Ca 0.61 -0.31 -0.16 0.00 -1.04 0.00 0.00 56.93 56.03 1shp s PHE 31 Cb -0.15 0.30 0.07 0.00 -1.21 0.00 0.00 43.02 42.03 1shp s PHE 31 CO 0.48 -0.86 0.45 0.42 -1.34 0.00 0.00 175.22 174.36 1shp s ILE 32 N -3.88 5.17 0.56 -4.49 -1.09 -1.26 -0.58 121.20 115.63 1shp s ILE 32 Ca 0.10 -0.99 -0.17 0.00 -2.23 0.00 0.00 60.65 57.36 1shp s ILE 32 Cb 0.00 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 1shp s ILE 32 CO -0.03 -0.64 1.07 -0.47 -1.23 0.00 0.00 174.94 173.63 1shp s TYR 33 N 1.83 2.91 -1.04 3.97 5.04 0.93 -4.35 117.35 126.64 1shp s TYR 33 Ca 0.06 1.54 0.16 0.00 -2.44 0.00 0.00 57.07 56.39 1shp s TYR 33 Cb -0.24 -3.08 0.54 0.00 0.35 0.00 0.00 41.96 39.54 1shp s TYR 33 CO 0.07 -1.15 1.46 0.41 -1.34 0.00 0.00 175.55 175.00 1shp n GLY 34 N -0.57 2.93 2.01 8.97 0.00 0.48 -0.51 105.19 118.49 1shp n GLY 34 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.75 2.31 2.94 -0.02 0.00 -1.26 -3.63 105.19 106.28 1shp n GLY 35 Ca 0.20 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 4.12 0.79 3.76 0.00 0.00 -1.26 -0.33 105.19 112.27 1shp n GLY 37 Ca -0.22 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 1.62 0.12 -0.02 0.00 -1.26 -4.47 107.32 103.32 1shp s GLY 38 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.57 1shp s GLY 38 CO 0.00 0.34 0.23 1.16 0.00 0.00 0.00 173.10 174.83 1shp n ASN 39 N -3.66 -0.66 -0.02 1.64 6.94 -1.26 -5.09 115.26 113.15 1shp n ASN 39 Ca 0.07 -1.55 -0.16 0.00 -0.02 0.00 0.00 54.58 52.92 1shp n ASN 39 Cb 0.56 1.13 -0.12 0.00 -2.36 0.00 0.00 39.78 38.98 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 0.64 0.20 -5.79 4.83 0.00 -1.98 -3.37 103.07 97.60 1shp h GLY 40 Ca -0.10 -0.39 -0.63 0.00 0.00 0.00 0.00 47.33 46.21 1shp h GLY 40 CO 0.13 0.35 3.01 -2.01 0.00 0.00 0.00 176.54 178.02 1shp n ASN 41 N -4.45 4.85 -2.94 0.19 5.15 -1.26 -4.59 115.26 112.21 1shp n ASN 41 Ca -0.10 -2.65 -0.14 0.00 -0.60 0.00 0.00 54.58 51.09 1shp n ASN 41 Cb 0.56 -1.40 0.01 0.00 -0.53 0.00 0.00 39.78 38.42 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 5.52 -1.29 -4.64 1.20 5.15 -1.25 -4.48 115.26 115.47 1shp n ASN 42 Ca 0.56 -3.17 -0.34 0.00 -0.60 0.00 0.00 54.58 51.03 1shp n ASN 42 Cb 0.31 0.75 -0.10 0.00 -0.53 0.00 0.00 39.78 40.21 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 -0.46 3.05 0.23 1.20 0.08 0.45 -4.88 117.98 117.65 1shp s PHE 43 Ca 0.32 0.10 -0.06 0.00 0.12 0.00 0.00 56.93 57.40 1shp s PHE 43 Cb 0.25 -1.73 0.31 0.00 -0.57 0.00 0.00 43.02 41.27 1shp s PHE 43 CO -0.14 0.41 1.84 1.49 -0.10 0.00 0.00 175.22 178.72 1shp h GLU 44 N 5.04 0.88 -4.45 0.44 4.57 -1.90 0.54 114.58 119.70 1shp h GLU 44 Ca -0.50 -0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 57.45 1shp h GLU 44 Cb 1.18 -0.20 -0.15 0.00 -0.16 0.00 0.00 28.75 29.42 1shp h GLU 44 CO 0.54 0.58 -0.66 0.95 -1.18 0.00 0.00 179.01 179.24 1shp s THR 45 N -6.07 0.25 0.19 0.32 -4.23 -1.26 -4.37 115.64 100.47 1shp s THR 45 Ca -0.13 -1.90 -0.13 0.00 -1.18 0.00 0.00 61.69 58.36 1shp s THR 45 Cb 0.18 -1.90 0.12 0.00 1.34 0.00 0.00 72.50 72.24 1shp s THR 45 CO 0.78 -0.63 1.70 0.25 -0.54 0.00 0.00 174.62 176.19 1shp h LEU 46 N 2.92 -0.06 -0.62 4.79 5.85 -1.94 0.09 115.31 126.33 1shp h LEU 46 Ca -0.35 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.60 1shp h LEU 46 Cb 1.18 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 42.25 1shp h LEU 46 CO 0.62 -0.00 -0.04 -0.74 -0.34 0.00 0.00 178.44 177.93 1shp h HIS 47 N 0.20 -0.13 0.09 1.25 2.76 -1.98 0.20 115.15 117.54 1shp h HIS 47 Ca 0.26 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1shp h HIS 47 Cb 0.37 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1shp h HIS 47 CO -0.25 -0.20 -0.04 0.37 -1.30 0.00 0.00 177.93 176.50 1shp h GLN 48 N 0.08 -0.12 -0.53 5.26 4.15 -1.81 0.12 115.11 122.27 1shp h GLN 48 Ca 0.32 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.85 1shp h GLN 48 Cb 0.52 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.15 1shp h GLN 48 CO -0.57 0.29 -0.00 0.00 -1.93 0.00 0.00 178.83 176.61 1shp h ARG 50 N 0.11 -1.12 -0.86 0.00 2.43 -0.60 -0.78 114.38 113.56 1shp h ARG 50 Ca 0.27 0.08 0.21 0.00 -0.81 0.00 0.00 59.98 59.72 1shp h ARG 50 Cb 0.41 0.25 -0.12 0.00 -0.42 0.00 0.00 29.97 30.09 1shp h ARG 50 CO -0.45 -0.74 0.32 0.00 -1.51 0.00 0.00 179.97 177.59 1shp h ALA 51 N -1.16 1.31 0.74 2.80 0.00 0.05 0.47 119.26 123.48 1shp h ALA 51 Ca -0.10 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1shp h ALA 51 Cb 0.94 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1shp h ALA 51 CO 0.08 -0.36 -0.36 0.82 0.00 0.00 0.00 179.25 179.43 1shp h ILE 52 N 0.34 0.08 0.07 0.00 5.03 -0.80 -3.23 117.51 118.99 1shp h ILE 52 Ca 0.53 -0.24 -0.12 0.00 -0.12 0.00 0.00 64.86 64.91 1shp h ILE 52 Cb 1.00 0.10 0.01 0.00 -3.03 0.00 0.00 36.82 34.90 1shp h ILE 52 CO -0.55 0.01 -0.58 0.00 -0.68 0.00 0.00 178.15 176.35 1shp n ARG 54 N -4.33 1.46 0.00 0.00 1.74 0.15 -5.08 116.66 110.61 1shp n ARG 54 Ca -0.15 -4.11 0.02 0.00 -0.77 0.00 0.00 57.85 52.84 1shp n ARG 54 Cb 0.68 -2.06 0.10 0.00 -1.02 0.00 0.00 32.46 30.15 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11