#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 0.29 -0.80 0.44 3.07 -1.98 -0.91 117.51 117.62 1shp h ILE 2 Ca 0.00 -0.05 0.23 0.00 1.55 0.00 0.00 64.86 66.59 1shp h ILE 2 Cb 0.00 0.13 -0.03 0.00 -0.27 0.00 0.00 36.82 36.65 1shp h ILE 2 CO 0.00 0.03 0.72 0.00 -1.05 0.00 0.00 178.15 177.85 1shp h SER 4 N 0.00 0.32 -2.39 0.00 0.02 -1.47 -3.39 113.55 106.64 1shp h SER 4 Ca 0.38 -0.20 -0.54 0.00 -0.84 0.00 0.00 61.79 60.60 1shp h SER 4 Cb 1.82 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 64.28 1shp h SER 4 CO -0.00 0.89 1.23 -1.61 -1.14 0.00 0.00 176.83 176.19 1shp s GLU 5 N -3.66 4.07 1.07 3.45 0.41 0.13 -4.75 118.70 119.42 1shp s GLU 5 Ca -0.04 2.49 -0.15 0.00 -0.41 0.00 0.00 54.97 56.85 1shp s GLU 5 Cb 0.11 -4.15 0.22 0.00 -1.78 0.00 0.00 34.13 28.54 1shp s GLU 5 CO 0.81 -1.03 1.12 -1.25 -0.49 0.00 0.00 175.26 174.42 1shp s PRO 6 N 4.53 -0.16 0.08 0.39 0.04 -1.26 -4.80 135.00 133.83 1shp s PRO 6 Ca 0.87 0.19 -0.36 0.00 0.04 0.00 0.00 61.00 61.73 1shp s PRO 6 Cb -0.40 -1.70 -0.18 0.00 0.04 0.00 0.00 34.50 32.27 1shp s PRO 6 CO 0.39 -3.06 1.17 1.17 0.04 0.00 0.00 177.00 176.71 1shp n LYS 7 N -4.34 0.73 -3.64 4.56 4.81 -1.26 -4.98 118.16 114.03 1shp n LYS 7 Ca 0.09 0.26 -0.12 0.00 -0.87 0.00 0.00 58.31 57.67 1shp n LYS 7 Cb 0.59 -1.79 -0.07 0.00 0.02 0.00 0.00 35.03 33.77 1shp n LYS 7 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1shp s LYS 8 N 0.06 0.77 -0.01 1.64 -2.85 -1.26 -5.12 119.74 112.97 1shp s LYS 8 Ca 0.83 1.03 -0.06 0.00 -1.00 0.00 0.00 55.97 56.77 1shp s LYS 8 Cb -1.03 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.02 1shp s LYS 8 CO 0.52 -0.11 0.51 0.28 0.10 0.00 0.00 175.35 176.64 1shp h VAL 9 N 4.35 0.00 0.00 1.79 2.07 -1.93 -3.43 116.25 119.09 1shp h VAL 9 Ca -0.29 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1shp h VAL 9 Cb 1.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1shp h VAL 9 CO 0.10 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.30 1shp n GLY 10 N 0.59 1.01 0.21 2.17 0.00 -1.26 -0.28 105.19 107.63 1shp n GLY 10 Ca -0.02 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 1shp n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1shp h ARG 11 N 6.41 0.67 -7.13 1.61 -0.00 -1.93 -3.43 114.38 110.58 1shp h ARG 11 Ca 0.00 -0.28 -0.50 0.00 -0.50 0.00 0.00 59.98 58.70 1shp h ARG 11 Cb 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 29.97 30.01 1shp h ARG 11 CO 0.00 0.87 0.40 0.00 0.00 0.00 0.00 179.97 181.24 1shp n LYS 13 N -1.62 1.53 -2.52 0.00 5.02 -1.16 -4.29 118.16 115.11 1shp n LYS 13 Ca 0.10 -3.43 -0.32 0.00 -2.02 0.00 0.00 58.31 52.64 1shp n LYS 13 Cb 0.52 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 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 -3.35 2.09 -1.30 0.72 0.00 0.12 -4.98 107.32 100.63 1shp s GLY 14 Ca 0.29 0.15 -0.16 0.00 0.00 0.00 0.00 44.72 45.01 1shp s GLY 14 CO 0.00 0.42 1.75 2.98 0.00 0.00 0.00 173.10 178.25 1shp n TYR 15 N -1.41 4.45 -3.36 1.90 9.36 -1.26 -4.23 117.16 122.61 1shp n TYR 15 Ca 0.06 -2.99 -0.46 0.00 3.32 0.00 0.00 57.90 57.84 1shp n TYR 15 Cb 0.54 -2.47 -0.04 0.00 -0.63 0.00 0.00 39.34 36.74 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 3.13 3.54 0.03 2.98 0.08 -1.06 -5.01 117.98 121.67 1shp s PHE 16 Ca 0.49 -1.78 -0.30 0.00 0.12 0.00 0.00 56.93 55.45 1shp s PHE 16 Cb 0.04 -3.75 -0.08 0.00 -0.57 0.00 0.00 43.02 38.66 1shp s PHE 16 CO 0.03 -0.99 1.76 -1.25 -0.10 0.00 0.00 175.22 174.67 1shp s PRO 17 N 0.74 4.17 0.40 0.24 0.04 -1.26 -0.36 135.00 138.97 1shp s PRO 17 Ca 0.12 2.40 0.04 0.00 0.04 0.00 0.00 61.00 63.59 1shp s PRO 17 Cb -0.19 -3.86 -0.02 0.00 0.04 0.00 0.00 34.50 30.47 1shp s PRO 17 CO -0.04 -0.84 0.14 1.03 0.04 0.00 0.00 177.00 177.33 1shp s ARG 18 N 3.52 1.91 0.01 4.56 1.81 0.24 -4.89 118.95 126.11 1shp s ARG 18 Ca 0.78 -2.16 0.07 0.00 -1.72 0.00 0.00 55.73 52.70 1shp s ARG 18 Cb -0.39 -0.54 -0.03 0.00 -0.45 0.00 0.00 34.95 33.53 1shp s ARG 18 CO 0.34 -0.49 -0.21 -0.06 -0.68 0.00 0.00 175.30 174.20 1shp s PHE 19 N -3.23 2.48 0.11 -0.53 0.40 0.11 -0.32 117.98 117.00 1shp s PHE 19 Ca 0.25 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.35 1shp s PHE 19 Cb 0.03 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1shp s PHE 19 CO 0.15 0.13 -0.21 1.52 0.70 0.00 0.00 175.22 177.52 1shp s TYR 20 N -0.77 1.82 -0.50 0.36 1.13 0.33 -0.17 117.35 119.54 1shp s TYR 20 Ca 0.12 -0.42 -0.27 0.00 -1.41 0.00 0.00 57.07 55.09 1shp s TYR 20 Cb -0.10 -0.99 -0.04 0.00 -1.10 0.00 0.00 41.96 39.73 1shp s TYR 20 CO 0.02 0.22 2.04 0.12 -2.51 0.00 0.00 175.55 175.44 1shp s PHE 21 N -1.23 1.47 -0.56 -3.49 2.19 -1.26 -0.68 117.98 114.42 1shp s PHE 21 Ca 0.07 0.99 -0.27 0.00 0.33 0.00 0.00 56.93 58.05 1shp s PHE 21 Cb -0.10 -3.93 -0.01 0.00 -1.31 0.00 0.00 43.02 37.68 1shp s PHE 21 CO 0.05 -2.60 1.66 0.34 1.83 0.00 0.00 175.22 176.50 1shp s ASP 22 N 9.04 5.71 0.27 6.13 -1.08 0.68 -4.79 116.67 132.63 1shp s ASP 22 Ca 0.81 0.42 0.25 0.00 -0.52 0.00 0.00 52.55 53.51 1shp s ASP 22 Cb -0.17 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.65 1shp s ASP 22 CO 0.25 -2.01 1.75 -1.28 0.52 0.00 0.00 175.17 174.40 1shp h SER 23 N 13.00 0.00 -0.71 -0.34 0.87 -1.84 0.69 113.55 125.22 1shp h SER 23 Ca -0.28 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.26 1shp h SER 23 Cb 1.13 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 1shp h SER 23 CO 1.18 0.00 0.34 -0.33 -0.53 0.00 0.00 176.83 177.49 1shp h GLU 24 N 0.00 1.03 0.00 2.24 5.08 -1.93 -3.23 114.58 117.77 1shp h GLU 24 Ca 0.00 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 1shp h GLU 24 Cb 0.57 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1shp h GLU 24 CO 0.00 0.81 -1.90 0.25 -1.00 0.00 0.00 179.01 177.18 1shp n THR 25 N -4.42 0.58 -1.40 1.13 -2.24 -1.21 -5.04 114.28 101.68 1shp n THR 25 Ca 0.06 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1shp n THR 25 Cb 0.13 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.87 0.87 2.93 3.38 0.00 0.21 -5.08 105.19 109.36 1shp n GLY 26 Ca -0.15 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.10 0.38 -0.10 1.61 1.02 0.66 -4.91 119.74 115.30 1shp s LYS 27 Ca 0.00 -0.13 -0.30 0.00 0.02 0.00 0.00 55.97 55.57 1shp s LYS 27 Cb 0.00 -0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 36.88 1shp s LYS 27 CO 0.00 0.06 1.48 0.00 -0.92 0.00 0.00 175.35 175.97 1shp s THR 29 N 3.76 0.06 0.52 0.00 2.01 0.14 -4.91 115.64 117.22 1shp s THR 29 Ca 0.65 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.97 1shp s THR 29 Cb -0.28 -0.18 -0.07 0.00 0.01 0.00 0.00 72.50 71.97 1shp s THR 29 CO 0.23 -0.27 1.05 -2.16 -0.69 0.00 0.00 174.62 172.78 1shp s PRO 30 N -0.81 3.67 0.17 4.92 0.04 -1.26 -0.51 135.00 141.21 1shp s PRO 30 Ca -0.09 1.33 -0.17 0.00 0.04 0.00 0.00 61.00 62.11 1shp s PRO 30 Cb -0.06 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1shp s PRO 30 CO -0.00 -0.54 0.47 -0.59 0.04 0.00 0.00 177.00 176.38 1shp s PHE 31 N -2.10 -0.13 -0.38 0.56 -0.71 0.56 -4.84 117.98 110.94 1shp s PHE 31 Ca 0.66 -0.20 -0.21 0.00 -1.04 0.00 0.00 56.93 56.14 1shp s PHE 31 Cb -0.16 0.32 0.01 0.00 -1.21 0.00 0.00 43.02 41.98 1shp s PHE 31 CO 0.25 -0.83 0.67 0.42 -1.34 0.00 0.00 175.22 174.39 1shp s ILE 32 N -3.85 4.83 0.32 -4.49 1.09 -1.26 -0.59 121.20 117.25 1shp s ILE 32 Ca 0.07 0.50 -0.24 0.00 -1.10 0.00 0.00 60.65 59.88 1shp s ILE 32 Cb 0.00 -4.15 -0.10 0.00 -1.06 0.00 0.00 42.46 37.16 1shp s ILE 32 CO -0.06 -0.43 0.91 -0.47 -0.10 0.00 0.00 174.94 174.79 1shp s TYR 33 N 2.84 3.63 0.14 3.97 5.04 0.51 -4.41 117.35 129.08 1shp s TYR 33 Ca 0.25 1.70 0.05 0.00 -2.44 0.00 0.00 57.07 56.63 1shp s TYR 33 Cb -0.14 -2.87 -0.11 0.00 0.35 0.00 0.00 41.96 39.19 1shp s TYR 33 CO 0.17 0.18 1.32 0.78 -1.34 0.00 0.00 175.55 176.66 1shp h GLY 34 N 3.03 0.09 0.00 8.97 0.00 -0.81 -2.80 103.07 111.54 1shp h GLY 34 Ca -0.47 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1shp h GLY 34 CO 0.64 0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.97 1shp n GLY 35 N 1.15 1.02 0.00 4.60 0.00 -1.26 -0.70 105.19 110.00 1shp n GLY 35 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 3.61 2.13 0.00 0.00 0.00 -1.26 -4.68 105.19 104.99 1shp n GLY 37 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 4.47 -1.56 1.66 -0.02 0.00 -1.26 -4.66 105.19 103.81 1shp n GLY 38 Ca 0.44 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.30 -0.47 0.18 1.61 0.23 -1.26 -4.89 115.26 110.36 1shp n ASN 39 Ca 0.00 -1.07 0.11 0.00 -0.53 0.00 0.00 54.58 53.09 1shp n ASN 39 Cb 0.00 0.72 0.11 0.00 -2.08 0.00 0.00 39.78 38.54 1shp n ASN 39 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1shp h GLY 40 N 0.83 0.00 -5.50 4.83 0.00 -1.97 -3.39 103.07 97.87 1shp h GLY 40 Ca -0.09 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.55 1shp h GLY 40 CO 0.13 0.00 3.48 -2.01 0.00 0.00 0.00 176.54 178.14 1shp n ASN 41 N -3.01 6.39 -2.86 0.19 5.15 -1.26 -4.61 115.26 115.25 1shp n ASN 41 Ca 0.03 -2.71 -0.12 0.00 -0.60 0.00 0.00 54.58 51.17 1shp n ASN 41 Cb 0.56 -1.60 0.02 0.00 -0.53 0.00 0.00 39.78 38.22 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 4.76 -2.09 -4.83 1.20 5.15 -1.25 -4.37 115.26 113.83 1shp n ASN 42 Ca 0.65 -3.18 -0.22 0.00 -0.60 0.00 0.00 54.58 51.24 1shp n ASN 42 Cb 0.31 1.21 -0.04 0.00 -0.53 0.00 0.00 39.78 40.73 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 0.18 2.94 0.10 1.20 0.08 0.76 -4.88 117.98 118.36 1shp s PHE 43 Ca 0.32 -0.25 0.07 0.00 0.12 0.00 0.00 56.93 57.19 1shp s PHE 43 Cb 0.22 -1.65 -0.22 0.00 -0.57 0.00 0.00 43.02 40.81 1shp s PHE 43 CO -0.20 0.31 1.21 1.49 -0.10 0.00 0.00 175.22 177.93 1shp h GLU 44 N 1.37 0.02 -3.86 0.44 4.57 -1.93 0.33 114.58 115.51 1shp h GLU 44 Ca -0.46 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 1shp h GLU 44 Cb 1.25 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 29.72 1shp h GLU 44 CO 0.59 0.97 -0.36 0.95 -1.18 0.00 0.00 179.01 179.99 1shp s THR 45 N -2.70 0.11 0.20 0.32 -4.23 -1.26 -4.52 115.64 103.56 1shp s THR 45 Ca 0.00 -1.29 -0.10 0.00 -1.18 0.00 0.00 61.69 59.12 1shp s THR 45 Cb 0.10 -1.57 0.14 0.00 1.34 0.00 0.00 72.50 72.50 1shp s THR 45 CO 0.83 -0.50 1.74 0.25 -0.54 0.00 0.00 174.62 176.39 1shp h LEU 46 N 2.67 0.17 -0.53 4.79 5.85 -1.92 0.81 115.31 127.14 1shp h LEU 46 Ca -0.33 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.58 1shp h LEU 46 Cb 1.21 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.21 1shp h LEU 46 CO 0.53 0.10 -0.23 -0.74 -0.34 0.00 0.00 178.44 177.76 1shp h HIS 47 N 0.36 -0.58 -0.00 1.25 2.76 -1.98 0.19 115.15 117.15 1shp h HIS 47 Ca 0.30 0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.52 1shp h HIS 47 Cb 0.38 0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.68 1shp h HIS 47 CO -0.18 -0.31 -0.00 0.37 -1.30 0.00 0.00 177.93 176.50 1shp h GLN 48 N -0.10 0.00 -0.60 5.26 4.15 -1.79 0.53 115.11 122.56 1shp h GLN 48 Ca 0.24 -0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.78 1shp h GLN 48 Cb 0.49 -0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.08 1shp h GLN 48 CO -0.60 0.45 0.05 0.00 -1.93 0.00 0.00 178.83 176.80 1shp h ARG 50 N 0.17 -1.06 -0.68 0.00 2.43 -0.53 0.32 114.38 115.03 1shp h ARG 50 Ca 0.32 0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.68 1shp h ARG 50 Cb 0.50 0.24 -0.09 0.00 -0.42 0.00 0.00 29.97 30.20 1shp h ARG 50 CO -0.47 -0.69 0.21 0.00 -1.51 0.00 0.00 179.97 177.51 1shp h ALA 51 N -1.08 0.88 0.34 2.80 0.00 -0.46 0.30 119.26 122.04 1shp h ALA 51 Ca -0.11 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1shp h ALA 51 Cb 0.85 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1shp h ALA 51 CO 0.18 -0.26 -0.16 0.82 0.00 0.00 0.00 179.25 179.84 1shp h ILE 52 N 0.35 0.66 0.00 0.00 1.08 -0.78 -3.34 117.51 115.48 1shp h ILE 52 Ca 0.36 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1shp h ILE 52 Cb 0.54 0.91 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1shp h ILE 52 CO -0.40 0.09 -0.09 0.00 -0.69 0.00 0.00 178.15 177.06 1shp n ARG 54 N -4.71 2.18 0.00 0.00 1.85 1.00 -5.07 116.66 111.91 1shp n ARG 54 Ca -0.04 -4.31 0.02 0.00 -1.00 0.00 0.00 57.85 52.52 1shp n ARG 54 Cb 0.17 -1.99 0.15 0.00 -1.05 0.00 0.00 32.46 29.74 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62