#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 0.73 -0.95 0.44 -0.00 -1.96 0.01 117.51 115.77 1shp h ILE 2 Ca 0.00 -0.05 0.25 0.00 -0.00 0.00 0.00 64.86 65.06 1shp h ILE 2 Cb 0.00 0.56 -0.06 0.00 -0.00 0.00 0.00 36.82 37.33 1shp h ILE 2 CO 0.00 0.03 0.66 0.00 -0.00 0.00 0.00 178.15 178.83 1shp h SER 4 N 0.18 0.03 -3.35 0.00 0.87 -1.35 -3.45 113.55 106.48 1shp h SER 4 Ca 0.48 -0.02 -0.53 0.00 -1.23 0.00 0.00 61.79 60.49 1shp h SER 4 Cb 1.59 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.53 1shp h SER 4 CO -0.10 0.64 0.46 -1.61 -0.53 0.00 0.00 176.83 175.69 1shp s GLU 5 N -3.62 4.52 0.62 2.24 2.02 0.29 -5.00 118.70 119.77 1shp s GLU 5 Ca -0.02 1.60 -0.09 0.00 0.02 0.00 0.00 54.97 56.48 1shp s GLU 5 Cb 0.13 -3.39 0.14 0.00 0.10 0.00 0.00 34.13 31.11 1shp s GLU 5 CO 0.77 -0.10 0.85 -0.35 0.02 0.00 0.00 175.26 176.45 1shp n PRO 6 N 3.64 -0.72 -1.47 0.39 -0.04 -1.26 -4.64 135.00 130.90 1shp n PRO 6 Ca 0.06 -1.43 -0.35 0.00 -0.04 0.00 0.00 63.50 61.75 1shp n PRO 6 Cb 0.48 -0.84 0.09 0.00 -0.04 0.00 0.00 33.50 33.20 1shp n PRO 6 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1shp s LYS 7 N -4.82 2.18 0.31 0.54 2.20 -1.26 -4.85 119.74 114.04 1shp s LYS 7 Ca 0.49 1.84 -0.14 0.00 -0.36 0.00 0.00 55.97 57.80 1shp s LYS 7 Cb -0.01 -1.83 0.02 0.00 -1.51 0.00 0.00 37.83 34.50 1shp s LYS 7 CO 0.34 -1.83 0.64 -1.59 -0.36 0.00 0.00 175.35 172.55 1shp s LYS 8 N -3.80 1.87 0.00 4.03 0.00 -1.26 -5.13 119.74 115.46 1shp s LYS 8 Ca 0.76 -1.31 0.00 0.00 0.00 0.00 0.00 55.97 55.42 1shp s LYS 8 Cb -0.31 0.55 0.00 0.00 0.00 0.00 0.00 37.83 38.07 1shp s LYS 8 CO 0.44 -0.83 0.00 0.28 0.00 0.00 0.00 175.35 175.24 1shp n VAL 9 N -0.48 0.00 -3.15 1.79 0.31 -1.26 -4.57 118.33 110.98 1shp n VAL 9 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1shp n VAL 9 Cb 0.60 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 2.86 -1.39 0.33 2.92 0.00 -1.26 -0.26 105.19 108.40 1shp n GLY 10 Ca 0.00 -1.03 0.08 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.05 1.41 -4.11 1.61 1.74 0.42 -4.91 116.66 112.78 1shp n ARG 11 Ca 0.00 -2.91 -0.08 0.00 -0.77 0.00 0.00 57.85 54.09 1shp n ARG 11 Cb 0.00 -1.54 -0.10 0.00 -1.02 0.00 0.00 32.46 29.80 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 0.11 2.98 -2.82 0.00 4.76 -1.26 -4.65 118.16 117.28 1shp n LYS 13 Ca -0.14 -1.70 -0.27 0.00 -2.87 0.00 0.00 58.31 53.33 1shp n LYS 13 Cb 0.61 -2.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.32 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 2.13 1.50 -0.40 0.72 0.00 -1.13 -5.01 107.32 105.13 1shp s GLY 14 Ca 0.68 -0.57 0.07 0.00 0.00 0.00 0.00 44.72 44.89 1shp s GLY 14 CO -0.04 -0.43 0.47 2.98 0.00 0.00 0.00 173.10 176.09 1shp n TYR 15 N -2.08 -0.61 -3.62 1.90 9.36 -1.24 -4.40 117.16 116.48 1shp n TYR 15 Ca -0.01 -3.44 -0.39 0.00 3.32 0.00 0.00 57.90 57.38 1shp n TYR 15 Cb 0.55 -0.13 -0.09 0.00 -0.63 0.00 0.00 39.34 39.05 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 -0.77 3.49 -0.05 2.98 0.08 0.28 -4.95 117.98 119.03 1shp s PHE 16 Ca 0.34 -2.19 -0.31 0.00 0.12 0.00 0.00 56.93 54.89 1shp s PHE 16 Cb 0.13 -3.40 -0.09 0.00 -0.57 0.00 0.00 43.02 39.08 1shp s PHE 16 CO -0.14 -0.96 1.99 -0.35 -0.10 0.00 0.00 175.22 175.67 1shp n PRO 17 N 4.44 2.46 -4.76 0.24 -0.04 -1.26 -0.43 135.00 135.65 1shp n PRO 17 Ca -0.01 0.87 -0.33 0.00 -0.04 0.00 0.00 63.50 63.99 1shp n PRO 17 Cb 0.41 -2.90 -0.07 0.00 -0.04 0.00 0.00 33.50 30.89 1shp n PRO 17 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1shp s ARG 18 N 4.68 2.20 0.10 0.54 1.81 0.45 -4.91 118.95 123.82 1shp s ARG 18 Ca 0.93 -2.42 0.09 0.00 -1.72 0.00 0.00 55.73 52.61 1shp s ARG 18 Cb -0.52 -1.44 -0.04 0.00 -0.45 0.00 0.00 34.95 32.50 1shp s ARG 18 CO 0.45 -0.41 -0.22 -0.06 -0.68 0.00 0.00 175.30 174.38 1shp s PHE 19 N -2.92 2.45 0.09 -0.53 0.40 0.16 -0.51 117.98 117.11 1shp s PHE 19 Ca 0.04 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1shp s PHE 19 Cb 0.01 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 1shp s PHE 19 CO 0.02 0.32 -0.09 1.52 0.70 0.00 0.00 175.22 177.69 1shp s TYR 20 N -1.04 0.95 -0.25 0.36 1.13 0.27 -0.55 117.35 118.23 1shp s TYR 20 Ca 0.15 -0.71 -0.29 0.00 -1.41 0.00 0.00 57.07 54.82 1shp s TYR 20 Cb -0.10 -0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 40.19 1shp s TYR 20 CO 0.07 -0.06 1.82 0.12 -2.51 0.00 0.00 175.55 174.99 1shp s PHE 21 N -2.66 1.77 -0.23 -3.49 5.36 -1.26 -0.89 117.98 116.58 1shp s PHE 21 Ca 0.05 0.51 -0.17 0.00 -0.96 0.00 0.00 56.93 56.36 1shp s PHE 21 Cb -0.01 -4.06 -0.03 0.00 -0.34 0.00 0.00 43.02 38.57 1shp s PHE 21 CO -0.01 -3.31 0.47 0.34 -1.46 0.00 0.00 175.22 171.24 1shp s ASP 22 N 5.70 6.44 0.00 6.13 2.15 0.44 -4.85 116.67 132.69 1shp s ASP 22 Ca 0.81 0.53 0.27 0.00 0.43 0.00 0.00 52.55 54.59 1shp s ASP 22 Cb -0.26 -2.26 0.83 0.00 -0.30 0.00 0.00 42.92 40.92 1shp s ASP 22 CO 0.33 -0.20 1.61 -0.24 -0.17 0.00 0.00 175.17 176.51 1shp n SER 23 N 5.07 0.90 -0.03 -0.34 2.88 -1.26 0.10 113.62 120.93 1shp n SER 23 Ca -0.06 -0.79 -0.13 0.00 -1.33 0.00 0.00 58.87 56.56 1shp n SER 23 Cb 0.50 0.10 -0.10 0.00 -0.75 0.00 0.00 64.21 63.97 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 1.03 0.10 0.01 -1.46 5.08 -1.94 -3.33 114.58 114.08 1shp h GLU 24 Ca 0.00 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 58.01 1shp h GLU 24 Cb 0.48 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1shp h GLU 24 CO 0.00 0.63 -1.59 1.79 -1.00 0.00 0.00 179.01 178.84 1shp h THR 25 N -0.42 1.00 0.00 1.13 1.35 -2.00 -3.49 112.91 110.48 1shp h THR 25 Ca 0.00 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 1shp h THR 25 Cb 0.63 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1shp h THR 25 CO 0.01 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1shp n GLY 26 N 1.55 0.85 3.08 5.82 0.00 0.11 -5.07 105.19 111.53 1shp n GLY 26 Ca -0.15 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.37 0.53 -0.06 1.61 1.02 0.19 -4.94 119.74 115.72 1shp s LYS 27 Ca 0.00 -0.77 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 1shp s LYS 27 Cb 0.00 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.46 1shp s LYS 27 CO 0.00 -0.12 1.54 0.00 -0.92 0.00 0.00 175.35 175.85 1shp s THR 29 N 3.55 0.04 0.65 0.00 2.01 -0.07 -4.91 115.64 116.92 1shp s THR 29 Ca 0.68 -0.35 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 1shp s THR 29 Cb -0.31 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 1shp s THR 29 CO 0.26 -0.19 1.12 -2.16 -0.69 0.00 0.00 174.62 172.95 1shp s PRO 30 N -0.67 2.84 0.10 4.92 0.04 -1.26 -0.56 135.00 140.41 1shp s PRO 30 Ca -0.08 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.20 1shp s PRO 30 Cb -0.04 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.59 1shp s PRO 30 CO 0.01 -1.23 0.48 -0.59 0.04 0.00 0.00 177.00 175.71 1shp s PHE 31 N -2.26 -0.34 -0.29 0.56 -0.71 0.33 -4.78 117.98 110.48 1shp s PHE 31 Ca 0.68 0.17 -0.16 0.00 -1.04 0.00 0.00 56.93 56.58 1shp s PHE 31 Cb -0.21 0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 1shp s PHE 31 CO 0.40 -0.70 0.42 0.42 -1.34 0.00 0.00 175.22 174.42 1shp s ILE 32 N -3.30 5.12 0.13 -4.49 1.09 -1.26 -0.41 121.20 118.08 1shp s ILE 32 Ca -0.00 0.50 -0.13 0.00 -1.10 0.00 0.00 60.65 59.92 1shp s ILE 32 Cb 0.00 -3.79 -0.07 0.00 -1.06 0.00 0.00 42.46 37.55 1shp s ILE 32 CO -0.08 0.04 0.50 -0.47 -0.10 0.00 0.00 174.94 174.82 1shp s TYR 33 N 2.17 3.59 -0.40 3.97 5.04 0.43 -4.37 117.35 127.77 1shp s TYR 33 Ca 0.16 0.97 0.09 0.00 -2.44 0.00 0.00 57.07 55.85 1shp s TYR 33 Cb -0.16 -2.30 0.60 0.00 0.35 0.00 0.00 41.96 40.45 1shp s TYR 33 CO 0.11 0.45 1.52 0.41 -1.34 0.00 0.00 175.55 176.70 1shp n GLY 34 N 0.80 2.97 3.72 8.97 0.00 0.64 -0.56 105.19 121.75 1shp n GLY 34 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.16 1.64 3.16 -0.02 0.00 -1.26 -2.84 105.19 106.02 1shp n GLY 35 Ca 0.28 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 0.58 0.13 0.00 0.00 0.00 -1.26 -0.43 105.19 104.20 1shp n GLY 37 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.08 1.20 0.54 -0.02 0.00 -1.26 -4.39 105.19 100.18 1shp n GLY 38 Ca -0.10 -1.76 -0.02 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.22 0.00 1.61 0.23 -1.26 -5.06 115.26 110.55 1shp n ASN 39 Ca 0.00 -1.30 -0.04 0.00 -0.53 0.00 0.00 54.58 52.71 1shp n ASN 39 Cb 0.00 0.41 0.18 0.00 -2.08 0.00 0.00 39.78 38.30 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 0.31 0.56 -6.29 4.83 0.00 -1.94 -3.36 103.07 97.20 1shp h GLY 40 Ca -0.04 -0.47 -0.68 0.00 0.00 0.00 0.00 47.33 46.14 1shp h GLY 40 CO 0.06 0.43 2.77 -2.01 0.00 0.00 0.00 176.54 177.78 1shp n ASN 41 N -4.11 3.46 -2.85 0.19 2.85 -1.26 -4.59 115.26 108.95 1shp n ASN 41 Ca -0.00 -2.79 -0.12 0.00 -0.11 0.00 0.00 54.58 51.56 1shp n ASN 41 Cb 0.42 -1.49 0.05 0.00 1.24 0.00 0.00 39.78 40.00 1shp n ASN 41 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1shp n ASN 42 N 6.87 -1.75 -4.79 1.20 5.15 -1.26 -4.60 115.26 116.09 1shp n ASN 42 Ca 0.51 -3.40 -0.32 0.00 -0.60 0.00 0.00 54.58 50.77 1shp n ASN 42 Cb 0.40 1.26 -0.07 0.00 -0.53 0.00 0.00 39.78 40.85 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 -0.19 3.27 0.20 1.20 0.08 0.29 -4.91 117.98 117.92 1shp s PHE 43 Ca 0.29 0.17 -0.08 0.00 0.12 0.00 0.00 56.93 57.43 1shp s PHE 43 Cb 0.27 -1.71 0.12 0.00 -0.57 0.00 0.00 43.02 41.13 1shp s PHE 43 CO -0.11 0.55 1.72 1.49 -0.10 0.00 0.00 175.22 178.76 1shp h GLU 44 N 3.83 1.15 -5.87 0.44 4.81 -1.92 0.45 114.58 117.47 1shp h GLU 44 Ca -0.48 -0.27 -0.51 0.00 -0.13 0.00 0.00 59.36 57.97 1shp h GLU 44 Cb 1.18 -0.15 -0.19 0.00 0.63 0.00 0.00 28.75 30.21 1shp h GLU 44 CO 0.64 1.01 -0.79 0.95 -0.73 0.00 0.00 179.01 180.09 1shp s THR 45 N -5.32 1.68 0.23 0.32 -4.23 -1.26 -3.87 115.64 103.19 1shp s THR 45 Ca -0.12 -1.77 -0.08 0.00 -1.18 0.00 0.00 61.69 58.53 1shp s THR 45 Cb 0.15 -1.70 0.22 0.00 1.34 0.00 0.00 72.50 72.52 1shp s THR 45 CO 0.85 -0.27 1.67 0.25 -0.54 0.00 0.00 174.62 176.57 1shp h LEU 46 N 3.52 -0.18 -0.71 4.79 5.85 -1.93 -1.36 115.31 125.29 1shp h LEU 46 Ca -0.43 0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.57 1shp h LEU 46 Cb 1.20 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 42.35 1shp h LEU 46 CO 0.48 -0.10 -0.34 -0.74 -0.34 0.00 0.00 178.44 177.40 1shp h HIS 47 N 0.17 -0.93 0.18 1.25 2.76 -1.98 0.16 115.15 116.75 1shp h HIS 47 Ca 0.37 0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.61 1shp h HIS 47 Cb 0.62 0.51 0.00 0.00 1.55 0.00 0.00 27.41 30.10 1shp h HIS 47 CO -0.34 -0.38 -0.09 1.96 -1.30 0.00 0.00 177.93 177.78 1shp h GLN 48 N -0.11 -0.24 -0.47 5.26 4.20 -1.78 0.56 115.11 122.54 1shp h GLN 48 Ca 0.27 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.09 1shp h GLN 48 Cb 0.56 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.30 1shp h GLN 48 CO -0.77 0.03 -0.25 0.00 -0.67 0.00 0.00 178.83 177.17 1shp h ARG 50 N -0.15 -0.89 -0.93 0.00 2.43 -0.67 -1.53 114.38 112.64 1shp h ARG 50 Ca 0.22 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.59 1shp h ARG 50 Cb 0.49 0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 30.17 1shp h ARG 50 CO -0.57 -0.59 0.59 0.00 -1.51 0.00 0.00 179.97 177.89 1shp h ALA 51 N -1.24 1.75 0.08 2.80 0.00 -0.40 0.27 119.26 122.52 1shp h ALA 51 Ca -0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1shp h ALA 51 Cb 0.76 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1shp h ALA 51 CO 0.04 -0.00 -0.04 0.82 0.00 0.00 0.00 179.25 180.07 1shp h ILE 52 N 0.77 1.05 0.01 0.00 2.04 -0.62 -3.42 117.51 117.33 1shp h ILE 52 Ca 0.47 -1.44 -0.38 0.00 1.00 0.00 0.00 64.86 64.50 1shp h ILE 52 Cb 0.68 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.54 1shp h ILE 52 CO -0.23 0.30 -2.43 0.00 0.00 0.00 0.00 178.15 175.79 1shp n ARG 54 N -3.16 3.90 0.00 0.00 1.74 0.93 -5.06 116.66 115.01 1shp n ARG 54 Ca -0.42 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 1shp n ARG 54 Cb 1.03 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.47 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11