#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 0.80 0.09 0.44 -5.35 -1.26 -0.17 119.36 113.91 1shp n ILE 2 Ca 0.00 0.17 -0.06 0.00 -0.27 0.00 0.00 62.75 62.59 1shp n ILE 2 Cb 0.00 -1.08 0.08 0.00 -1.74 0.00 0.00 39.64 36.90 1shp n ILE 2 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1shp h SER 4 N 0.15 0.45 -3.36 0.00 0.87 -0.93 -3.42 113.55 107.30 1shp h SER 4 Ca -0.02 -0.51 -0.53 0.00 -1.23 0.00 0.00 61.79 59.50 1shp h SER 4 Cb 1.24 -0.15 0.09 0.00 -0.44 0.00 0.00 62.40 63.14 1shp h SER 4 CO 0.11 1.41 0.89 -1.61 -0.53 0.00 0.00 176.83 177.10 1shp s GLU 5 N -2.64 4.10 0.54 2.24 0.41 -0.48 -4.88 118.70 117.99 1shp s GLU 5 Ca -0.06 2.61 0.08 0.00 -0.41 0.00 0.00 54.97 57.19 1shp s GLU 5 Cb 0.07 -3.01 0.05 0.00 -1.78 0.00 0.00 34.13 29.46 1shp s GLU 5 CO 0.88 -0.65 0.58 -1.25 -0.49 0.00 0.00 175.26 174.33 1shp s PRO 6 N -0.61 2.34 0.07 0.39 0.04 -1.26 -4.68 135.00 131.28 1shp s PRO 6 Ca 0.63 -1.76 -0.29 0.00 0.04 0.00 0.00 61.00 59.62 1shp s PRO 6 Cb -0.48 -2.41 -0.16 0.00 0.04 0.00 0.00 34.50 31.49 1shp s PRO 6 CO 0.49 -0.66 0.70 1.17 0.04 0.00 0.00 177.00 178.74 1shp n LYS 7 N -1.96 0.00 -3.64 4.56 4.81 -1.26 -4.93 118.16 115.73 1shp n LYS 7 Ca 0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.40 1shp n LYS 7 Cb 0.62 -1.07 -0.07 0.00 0.02 0.00 0.00 35.03 34.53 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 -0.34 0.75 0.09 1.64 -2.85 -1.26 -5.07 119.74 112.70 1shp s LYS 8 Ca 0.66 1.05 -0.23 0.00 -1.00 0.00 0.00 55.97 56.45 1shp s LYS 8 Cb -0.94 0.28 -0.15 0.00 -2.06 0.00 0.00 37.83 34.96 1shp s LYS 8 CO 0.47 -0.12 1.71 0.28 0.10 0.00 0.00 175.35 177.79 1shp h VAL 9 N 4.47 1.03 -2.26 1.79 2.07 -1.94 -3.43 116.25 117.98 1shp h VAL 9 Ca -0.30 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1shp h VAL 9 Cb 1.19 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1shp h VAL 9 CO 0.11 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.34 1shp n GLY 10 N -1.01 -1.34 5.00 2.17 0.00 -1.26 -0.59 105.19 108.16 1shp n GLY 10 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.17 0.00 -1.31 1.61 1.74 -1.26 -1.86 116.66 115.40 1shp n ARG 11 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1shp n ARG 11 Cb 0.00 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 31.60 1shp n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1shp n LYS 13 N -4.00 1.04 -2.31 0.00 4.76 -1.26 -4.72 118.16 111.67 1shp n LYS 13 Ca 0.06 -2.81 -0.26 0.00 -2.87 0.00 0.00 58.31 52.42 1shp n LYS 13 Cb 0.58 -0.97 0.14 0.00 -1.84 0.00 0.00 35.03 32.94 1shp n LYS 13 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1shp s GLY 14 N -2.76 1.77 -0.52 0.72 0.00 -0.80 -5.06 107.32 100.66 1shp s GLY 14 Ca 0.36 -1.49 0.03 0.00 0.00 0.00 0.00 44.72 43.63 1shp s GLY 14 CO -0.10 -0.85 0.30 -0.47 0.00 0.00 0.00 173.10 171.98 1shp s TYR 15 N -3.45 2.66 -0.39 1.90 6.14 -1.26 -4.32 117.35 118.63 1shp s TYR 15 Ca 0.69 -2.86 -0.04 0.00 0.64 0.00 0.00 57.07 55.49 1shp s TYR 15 Cb -0.05 -2.32 0.09 0.00 0.42 0.00 0.00 41.96 40.10 1shp s TYR 15 CO 0.48 -0.73 0.18 -0.06 0.64 0.00 0.00 175.55 176.07 1shp s PHE 16 N -0.23 3.46 0.08 4.97 0.40 -0.19 -4.99 117.98 121.49 1shp s PHE 16 Ca 0.20 -2.07 -0.31 0.00 -0.60 0.00 0.00 56.93 54.15 1shp s PHE 16 Cb -0.20 -2.96 -0.09 0.00 0.51 0.00 0.00 43.02 40.29 1shp s PHE 16 CO -0.04 -0.91 1.70 -1.25 0.70 0.00 0.00 175.22 175.42 1shp s PRO 17 N 1.24 4.18 0.34 0.24 0.04 -1.26 -0.26 135.00 139.52 1shp s PRO 17 Ca 0.04 2.40 0.04 0.00 0.04 0.00 0.00 61.00 63.52 1shp s PRO 17 Cb -0.22 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.69 1shp s PRO 17 CO -0.02 -0.76 0.16 1.03 0.04 0.00 0.00 177.00 177.45 1shp s ARG 18 N 2.65 1.71 0.06 4.56 1.81 0.07 -4.88 118.95 124.92 1shp s ARG 18 Ca 0.76 -2.00 0.02 0.00 -1.72 0.00 0.00 55.73 52.79 1shp s ARG 18 Cb -0.41 -0.24 -0.04 0.00 -0.45 0.00 0.00 34.95 33.81 1shp s ARG 18 CO 0.33 -0.47 0.12 -0.06 -0.68 0.00 0.00 175.30 174.55 1shp s PHE 19 N -3.46 3.30 0.16 -0.53 0.40 0.81 -0.30 117.98 118.36 1shp s PHE 19 Ca 0.33 0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.88 1shp s PHE 19 Cb 0.04 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 1shp s PHE 19 CO 0.18 0.55 -0.14 1.52 0.70 0.00 0.00 175.22 178.03 1shp s TYR 20 N -1.39 1.53 -0.65 0.36 1.13 0.57 -0.11 117.35 118.79 1shp s TYR 20 Ca 0.30 -0.59 -0.28 0.00 -1.41 0.00 0.00 57.07 55.10 1shp s TYR 20 Cb -0.12 -0.76 0.02 0.00 -1.10 0.00 0.00 41.96 40.00 1shp s TYR 20 CO 0.22 0.23 1.30 0.12 -2.51 0.00 0.00 175.55 174.91 1shp s PHE 21 N -2.62 2.36 -0.41 -3.49 5.36 -1.26 -1.19 117.98 116.73 1shp s PHE 21 Ca 0.16 0.24 -0.29 0.00 -0.96 0.00 0.00 56.93 56.08 1shp s PHE 21 Cb -0.02 -4.52 0.02 0.00 -0.34 0.00 0.00 43.02 38.15 1shp s PHE 21 CO 0.04 -1.91 1.27 0.34 -1.46 0.00 0.00 175.22 173.50 1shp s ASP 22 N 3.81 6.55 0.00 6.13 -1.08 0.48 -4.71 116.67 127.85 1shp s ASP 22 Ca 0.42 0.77 0.11 0.00 -0.52 0.00 0.00 52.55 53.33 1shp s ASP 22 Cb -0.09 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.15 1shp s ASP 22 CO 0.21 -1.27 1.26 -0.24 0.52 0.00 0.00 175.17 175.65 1shp n SER 23 N 8.11 1.85 -0.02 -0.34 2.88 -1.26 -0.01 113.62 124.83 1shp n SER 23 Ca 0.14 -1.99 -0.21 0.00 -1.33 0.00 0.00 58.87 55.48 1shp n SER 23 Cb 0.48 -0.23 -0.13 0.00 -0.75 0.00 0.00 64.21 63.58 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 2.03 0.17 0.01 -1.46 5.08 -1.94 -3.38 114.58 115.10 1shp h GLU 24 Ca 0.00 -0.29 -0.33 0.00 -1.00 0.00 0.00 59.36 57.74 1shp h GLU 24 Cb 0.46 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 1shp h GLU 24 CO 0.00 1.14 -1.99 0.25 -1.00 0.00 0.00 179.01 177.41 1shp n THR 25 N -4.05 1.56 -1.09 1.13 -2.24 -1.25 -5.03 114.28 103.30 1shp n THR 25 Ca -0.26 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 1shp n THR 25 Cb 0.83 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.70 1.12 3.06 3.38 0.00 0.98 -5.08 105.19 110.36 1shp n GLY 26 Ca -0.25 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.60 0.39 0.06 1.61 1.02 0.88 -4.94 119.74 116.15 1shp s LYS 27 Ca 0.00 -0.33 -0.31 0.00 0.02 0.00 0.00 55.97 55.35 1shp s LYS 27 Cb 0.00 0.16 -0.06 0.00 -0.52 0.00 0.00 37.83 37.41 1shp s LYS 27 CO 0.00 -0.08 1.33 0.00 -0.92 0.00 0.00 175.35 175.68 1shp s THR 29 N 1.56 0.04 0.48 0.00 2.01 -0.33 -4.90 115.64 114.49 1shp s THR 29 Ca 0.62 -0.35 -0.20 0.00 0.31 0.00 0.00 61.69 62.07 1shp s THR 29 Cb -0.32 -0.57 -0.09 0.00 0.01 0.00 0.00 72.50 71.52 1shp s THR 29 CO 0.28 -0.19 1.02 -2.16 -0.69 0.00 0.00 174.62 172.88 1shp s PRO 30 N -0.93 3.87 0.28 4.92 0.04 -1.26 -0.32 135.00 141.60 1shp s PRO 30 Ca -0.10 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.13 1shp s PRO 30 Cb -0.05 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1shp s PRO 30 CO 0.03 -0.37 0.55 -0.59 0.04 0.00 0.00 177.00 176.66 1shp s PHE 31 N -2.01 0.34 -0.45 0.56 -0.71 0.59 -4.82 117.98 111.47 1shp s PHE 31 Ca 0.66 -0.73 -0.17 0.00 -1.04 0.00 0.00 56.93 55.66 1shp s PHE 31 Cb -0.15 0.30 0.04 0.00 -1.21 0.00 0.00 43.02 42.00 1shp s PHE 31 CO 0.19 -1.10 0.44 0.42 -1.34 0.00 0.00 175.22 173.83 1shp s ILE 32 N -3.73 5.11 0.24 -4.49 -1.09 -1.26 -0.75 121.20 115.23 1shp s ILE 32 Ca 0.21 -0.61 -0.30 0.00 -2.23 0.00 0.00 60.65 57.72 1shp s ILE 32 Cb -0.02 -4.10 -0.09 0.00 -1.58 0.00 0.00 42.46 36.67 1shp s ILE 32 CO 0.10 -0.52 0.98 -0.47 -1.23 0.00 0.00 174.94 173.80 1shp s TYR 33 N 2.04 3.87 0.07 3.97 5.04 0.65 -4.30 117.35 128.68 1shp s TYR 33 Ca 0.09 1.85 -0.16 0.00 -2.44 0.00 0.00 57.07 56.41 1shp s TYR 33 Cb -0.20 -3.07 -0.15 0.00 0.35 0.00 0.00 41.96 38.90 1shp s TYR 33 CO 0.11 0.17 1.30 0.78 -1.34 0.00 0.00 175.55 176.57 1shp h GLY 34 N 4.15 0.66 0.00 8.97 0.00 -1.04 -0.48 103.07 115.33 1shp h GLY 34 Ca -0.45 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.05 1shp h GLY 34 CO 0.68 0.74 0.00 0.61 0.00 0.00 0.00 176.54 178.57 1shp n GLY 35 N 0.51 1.36 0.00 4.60 0.00 -1.26 -1.91 105.19 108.49 1shp n GLY 35 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 5.00 -0.56 7.00 0.00 0.00 -0.78 -4.85 105.19 111.01 1shp n GLY 37 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.04 2.36 3.86 -0.02 0.00 -1.19 -4.89 105.19 104.27 1shp n GLY 38 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1shp n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shp s ASN 39 N -4.00 -0.03 0.48 1.61 4.22 -1.26 -4.75 114.94 111.21 1shp s ASN 39 Ca 0.00 -0.52 0.25 0.00 -2.14 0.00 0.00 52.86 50.45 1shp s ASN 39 Cb 0.00 0.41 1.20 0.00 1.28 0.00 0.00 41.25 44.15 1shp s ASN 39 CO 0.00 -0.81 1.97 1.23 -2.04 0.00 0.00 177.10 177.45 1shp h GLY 40 N 2.00 0.00 -4.88 0.45 0.00 -1.94 -3.22 103.07 95.48 1shp h GLY 40 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.75 1shp h GLY 40 CO 0.33 0.00 1.62 -2.01 0.00 0.00 0.00 176.54 176.48 1shp n ASN 41 N -3.61 4.95 -3.67 0.19 2.85 -1.26 -4.72 115.26 109.99 1shp n ASN 41 Ca -0.01 -2.29 -0.13 0.00 -0.11 0.00 0.00 54.58 52.04 1shp n ASN 41 Cb 0.32 -1.11 -0.13 0.00 1.24 0.00 0.00 39.78 40.09 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 2.73 0.24 0.02 1.20 2.47 -1.22 -4.51 114.94 115.88 1shp s ASN 42 Ca 0.47 0.64 0.01 0.00 0.42 0.00 0.00 52.86 54.40 1shp s ASN 42 Cb 0.17 0.77 -0.02 0.00 -1.45 0.00 0.00 41.25 40.71 1shp s ASN 42 CO -0.02 -0.23 -0.04 -0.36 -3.72 0.00 0.00 177.10 172.72 1shp s PHE 43 N 2.38 0.35 -0.10 0.43 0.08 0.85 -5.00 117.98 116.96 1shp s PHE 43 Ca 0.00 -0.41 0.16 0.00 0.12 0.00 0.00 56.93 56.80 1shp s PHE 43 Cb -0.12 -0.23 0.18 0.00 -0.57 0.00 0.00 43.02 42.28 1shp s PHE 43 CO -0.09 -0.12 1.49 1.49 -0.10 0.00 0.00 175.22 177.90 1shp h GLU 44 N 4.94 0.00 -3.93 0.44 4.81 -1.96 0.23 114.58 119.11 1shp h GLU 44 Ca -0.32 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.78 1shp h GLU 44 Cb 1.21 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.41 1shp h GLU 44 CO 0.43 0.48 -0.58 0.95 -0.73 0.00 0.00 179.01 179.56 1shp s THR 45 N -3.06 0.15 0.24 0.32 -4.23 -1.26 -4.56 115.64 103.24 1shp s THR 45 Ca 0.03 -1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 59.26 1shp s THR 45 Cb 0.08 -0.95 0.22 0.00 1.34 0.00 0.00 72.50 73.19 1shp s THR 45 CO 0.73 -0.68 1.70 0.25 -0.54 0.00 0.00 174.62 176.08 1shp h LEU 46 N 3.67 0.07 -0.67 4.79 5.85 -1.95 -0.55 115.31 126.53 1shp h LEU 46 Ca -0.33 0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.64 1shp h LEU 46 Cb 1.18 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 42.25 1shp h LEU 46 CO 0.53 0.00 -0.33 -0.74 -0.34 0.00 0.00 178.44 177.55 1shp h HIS 47 N 0.31 -0.91 0.34 1.25 2.76 -1.98 0.22 115.15 117.13 1shp h HIS 47 Ca 0.40 0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.63 1shp h HIS 47 Cb 0.66 0.50 0.00 0.00 1.55 0.00 0.00 27.41 30.12 1shp h HIS 47 CO -0.24 -0.38 -0.16 1.96 -1.30 0.00 0.00 177.93 177.81 1shp h GLN 48 N -0.12 -0.44 -0.58 5.26 4.20 -1.70 0.52 115.11 122.26 1shp h GLN 48 Ca 0.26 0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.12 1shp h GLN 48 Cb 0.56 0.10 -0.11 0.00 0.30 0.00 0.00 27.48 28.33 1shp h GLN 48 CO -0.74 -0.17 -0.12 0.00 -0.67 0.00 0.00 178.83 177.12 1shp h ARG 50 N 0.02 -0.73 -0.87 0.00 2.43 -0.54 0.16 114.38 114.84 1shp h ARG 50 Ca 0.28 0.05 0.23 0.00 -0.81 0.00 0.00 59.98 59.73 1shp h ARG 50 Cb 0.44 0.17 -0.15 0.00 -0.42 0.00 0.00 29.97 30.01 1shp h ARG 50 CO -0.59 -0.49 0.14 0.00 -1.51 0.00 0.00 179.97 177.53 1shp h ALA 51 N -1.64 1.14 0.30 2.80 0.00 -0.33 0.31 119.26 121.84 1shp h ALA 51 Ca -0.08 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1shp h ALA 51 Cb 0.58 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1shp h ALA 51 CO 0.13 -0.49 -0.14 0.82 0.00 0.00 0.00 179.25 179.57 1shp h ILE 52 N 0.14 0.48 0.08 0.00 1.08 -0.77 -3.34 117.51 115.17 1shp h ILE 52 Ca 0.53 -0.81 -0.28 0.00 -0.39 0.00 0.00 64.86 63.91 1shp h ILE 52 Cb 1.06 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 1shp h ILE 52 CO -0.72 0.11 -1.47 0.00 -0.69 0.00 0.00 178.15 175.39 1shp s ARG 54 N -2.45 0.85 0.00 0.00 3.03 0.10 -5.02 118.95 115.46 1shp s ARG 54 Ca -0.23 -1.57 0.00 0.00 2.03 0.00 0.00 55.73 55.96 1shp s ARG 54 Cb 0.05 -0.97 0.00 0.00 -1.03 0.00 0.00 34.95 33.00 1shp s ARG 54 CO 0.71 -1.32 0.28 0.00 -1.13 0.00 0.00 175.30 173.84