#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 1.07 0.00 0.44 -0.00 -1.92 0.25 117.51 117.35 1shp h ILE 2 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 64.86 64.24 1shp h ILE 2 Cb 0.00 1.34 0.00 0.00 -0.00 0.00 0.00 36.82 38.16 1shp h ILE 2 CO 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 178.15 178.32 1shp h SER 4 N 0.00 0.35 -2.34 0.00 0.87 -0.96 -3.44 113.55 108.04 1shp h SER 4 Ca 0.00 -0.85 -0.56 0.00 -1.23 0.00 0.00 61.79 59.16 1shp h SER 4 Cb 0.63 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1shp h SER 4 CO 0.00 1.59 1.29 -1.61 -0.53 0.00 0.00 176.83 177.56 1shp s GLU 5 N -2.46 3.78 0.56 2.24 2.02 -0.27 -4.96 118.70 119.61 1shp s GLU 5 Ca -0.20 2.25 -0.17 0.00 0.02 0.00 0.00 54.97 56.87 1shp s GLU 5 Cb 0.04 -4.20 -0.05 0.00 0.10 0.00 0.00 34.13 30.02 1shp s GLU 5 CO 0.76 -1.36 1.05 -1.25 0.02 0.00 0.00 175.26 174.48 1shp s PRO 6 N 5.05 3.49 0.41 0.39 0.04 -1.26 -4.64 135.00 138.48 1shp s PRO 6 Ca 0.88 1.22 -0.24 0.00 0.04 0.00 0.00 61.00 62.90 1shp s PRO 6 Cb -0.36 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.01 1shp s PRO 6 CO 0.37 -0.67 0.90 1.17 0.04 0.00 0.00 177.00 178.80 1shp n LYS 7 N -1.73 1.13 -3.69 4.56 0.00 -1.26 -4.92 118.16 112.25 1shp n LYS 7 Ca 0.09 0.41 -0.10 0.00 0.00 0.00 0.00 58.31 58.70 1shp n LYS 7 Cb 0.53 -1.89 -0.10 0.00 0.00 0.00 0.00 35.03 33.57 1shp n LYS 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1shp s LYS 8 N -1.88 0.40 -0.06 1.64 -2.85 -1.26 -5.08 119.74 110.66 1shp s LYS 8 Ca 0.63 0.84 -0.25 0.00 -1.00 0.00 0.00 55.97 56.19 1shp s LYS 8 Cb -0.58 0.03 -0.20 0.00 -2.06 0.00 0.00 37.83 35.01 1shp s LYS 8 CO 0.57 -0.17 1.04 0.28 0.10 0.00 0.00 175.35 177.17 1shp h VAL 9 N 5.60 1.32 0.00 1.79 2.07 -1.88 -3.43 116.25 121.72 1shp h VAL 9 Ca -0.34 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1shp h VAL 9 Cb 1.18 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1shp h VAL 9 CO 0.27 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.81 1shp n GLY 10 N 0.63 1.11 2.73 2.17 0.00 -1.26 -0.45 105.19 110.11 1shp n GLY 10 Ca -0.09 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 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 1.34 2.60 -3.65 1.61 1.74 -1.26 -4.73 116.66 114.32 1shp n ARG 11 Ca 0.00 -2.22 -0.24 0.00 -0.77 0.00 0.00 57.85 54.61 1shp n ARG 11 Cb 0.00 -3.02 0.01 0.00 -1.02 0.00 0.00 32.46 28.43 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 -1.90 2.46 -3.68 0.00 5.02 -1.26 -5.06 118.16 113.74 1shp n LYS 13 Ca 0.03 -4.55 -0.08 0.00 -2.02 0.00 0.00 58.31 51.69 1shp n LYS 13 Cb 0.63 -2.15 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 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 -2.54 -0.31 -0.30 0.72 0.00 -1.23 -5.07 107.32 98.60 1shp s GLY 14 Ca 0.41 0.09 -0.01 0.00 0.00 0.00 0.00 44.72 45.21 1shp s GLY 14 CO -0.04 0.03 0.28 -0.47 0.00 0.00 0.00 173.10 172.90 1shp s TYR 15 N -3.75 -0.36 -0.32 1.90 6.14 -1.26 -4.54 117.35 115.17 1shp s TYR 15 Ca 0.07 -0.30 0.02 0.00 0.64 0.00 0.00 57.07 57.51 1shp s TYR 15 Cb -0.04 -0.51 0.10 0.00 0.42 0.00 0.00 41.96 41.93 1shp s TYR 15 CO -0.01 -0.91 0.05 -0.06 0.64 0.00 0.00 175.55 175.26 1shp s PHE 16 N 2.27 3.11 0.12 4.97 0.40 0.47 -4.99 117.98 124.32 1shp s PHE 16 Ca 0.10 -2.57 -0.31 0.00 -0.60 0.00 0.00 56.93 53.55 1shp s PHE 16 Cb -0.14 -2.49 -0.10 0.00 0.51 0.00 0.00 43.02 40.80 1shp s PHE 16 CO -0.31 -0.92 1.79 -1.25 0.70 0.00 0.00 175.22 175.22 1shp s PRO 17 N 1.13 4.15 0.31 0.24 0.04 -1.26 -0.21 135.00 139.39 1shp s PRO 17 Ca 0.09 2.55 0.03 0.00 0.04 0.00 0.00 61.00 63.71 1shp s PRO 17 Cb -0.19 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 1shp s PRO 17 CO -0.13 -0.81 0.16 1.03 0.04 0.00 0.00 177.00 177.29 1shp s ARG 18 N 2.55 1.60 -0.03 4.56 1.81 0.39 -4.87 118.95 124.97 1shp s ARG 18 Ca 0.79 -1.92 0.05 0.00 -1.72 0.00 0.00 55.73 52.94 1shp s ARG 18 Cb -0.45 -0.11 -0.03 0.00 -0.45 0.00 0.00 34.95 33.91 1shp s ARG 18 CO 0.35 -0.45 -0.18 -0.06 -0.68 0.00 0.00 175.30 174.29 1shp s PHE 19 N -3.60 2.59 0.14 -0.53 0.40 0.87 -0.21 117.98 117.65 1shp s PHE 19 Ca 0.35 -0.24 0.09 0.00 -0.60 0.00 0.00 56.93 56.54 1shp s PHE 19 Cb 0.05 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1shp s PHE 19 CO 0.18 0.15 -0.21 1.52 0.70 0.00 0.00 175.22 177.55 1shp s TYR 20 N -0.74 1.95 -0.42 0.36 1.13 0.05 -0.72 117.35 118.96 1shp s TYR 20 Ca 0.12 -0.42 -0.27 0.00 -1.41 0.00 0.00 57.07 55.08 1shp s TYR 20 Cb -0.10 -1.01 -0.03 0.00 -1.10 0.00 0.00 41.96 39.71 1shp s TYR 20 CO 0.01 0.32 1.94 0.12 -2.51 0.00 0.00 175.55 175.43 1shp s PHE 21 N -1.56 1.60 -0.20 -3.49 5.36 -1.26 -0.60 117.98 117.82 1shp s PHE 21 Ca 0.13 0.80 -0.29 0.00 -0.96 0.00 0.00 56.93 56.61 1shp s PHE 21 Cb -0.08 -4.02 -0.02 0.00 -0.34 0.00 0.00 43.02 38.56 1shp s PHE 21 CO 0.06 -2.82 1.46 0.34 -1.46 0.00 0.00 175.22 172.81 1shp s ASP 22 N 7.74 6.62 0.18 6.13 -1.08 0.73 -4.77 116.67 132.23 1shp s ASP 22 Ca 0.81 1.63 0.16 0.00 -0.52 0.00 0.00 52.55 54.62 1shp s ASP 22 Cb -0.20 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.70 1shp s ASP 22 CO 0.29 -1.05 1.17 -1.28 0.52 0.00 0.00 175.17 174.82 1shp h SER 23 N 9.62 0.00 -0.32 -0.34 0.87 -1.84 0.51 113.55 122.05 1shp h SER 23 Ca -0.31 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 1shp h SER 23 Cb 1.13 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1shp h SER 23 CO 0.99 0.51 0.11 -0.33 -0.53 0.00 0.00 176.83 177.59 1shp h GLU 24 N 0.00 0.49 0.08 2.24 3.07 -1.94 -2.47 114.58 116.05 1shp h GLU 24 Ca -0.07 -0.10 -0.29 0.00 -0.50 0.00 0.00 59.36 58.40 1shp h GLU 24 Cb 1.45 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.27 1shp h GLU 24 CO 0.05 0.51 -1.51 1.79 -1.40 0.00 0.00 179.01 178.46 1shp h THR 25 N 0.36 1.16 -0.72 1.13 1.35 -1.98 -3.49 112.91 110.72 1shp h THR 25 Ca 0.10 -2.85 -0.00 0.00 -0.55 0.00 0.00 66.41 63.12 1shp h THR 25 Cb 0.22 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1shp h THR 25 CO -0.01 0.79 -0.00 0.61 -0.25 0.00 0.00 175.52 176.66 1shp n GLY 26 N 1.62 0.78 3.19 5.82 0.00 0.15 -5.07 105.19 111.68 1shp n GLY 26 Ca -0.15 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.71 0.75 0.31 1.61 3.01 0.43 -4.73 119.74 116.41 1shp s LYS 27 Ca 0.00 -0.75 -0.29 0.00 -1.01 0.00 0.00 55.97 53.92 1shp s LYS 27 Cb -0.00 0.31 -0.10 0.00 -1.01 0.00 0.00 37.83 37.03 1shp s LYS 27 CO 0.00 -0.23 1.31 0.00 0.51 0.00 0.00 175.35 176.95 1shp s THR 29 N -0.92 0.01 0.64 0.00 2.01 0.23 -4.82 115.64 112.79 1shp s THR 29 Ca 0.50 -0.09 -0.14 0.00 0.31 0.00 0.00 61.69 62.27 1shp s THR 29 Cb -0.39 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 1shp s THR 29 CO 0.50 -0.05 1.07 -2.16 -0.69 0.00 0.00 174.62 173.29 1shp s PRO 30 N -0.64 3.09 0.16 4.92 0.04 -1.26 -0.77 135.00 140.54 1shp s PRO 30 Ca -0.07 1.16 -0.16 0.00 0.04 0.00 0.00 61.00 61.97 1shp s PRO 30 Cb -0.03 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1shp s PRO 30 CO 0.05 -0.99 0.44 -0.59 0.04 0.00 0.00 177.00 175.95 1shp s PHE 31 N -2.63 -0.08 -0.37 0.56 -0.71 0.71 -4.80 117.98 110.66 1shp s PHE 31 Ca 0.62 -0.26 -0.17 0.00 -1.04 0.00 0.00 56.93 56.09 1shp s PHE 31 Cb -0.16 0.27 -0.00 0.00 -1.21 0.00 0.00 43.02 41.92 1shp s PHE 31 CO 0.43 -0.80 0.43 0.42 -1.34 0.00 0.00 175.22 174.36 1shp s ILE 32 N -3.86 5.10 0.21 -4.49 1.09 -1.26 -0.46 121.20 117.52 1shp s ILE 32 Ca 0.08 0.01 -0.28 0.00 -1.10 0.00 0.00 60.65 59.36 1shp s ILE 32 Cb 0.01 -3.92 -0.08 0.00 -1.06 0.00 0.00 42.46 37.40 1shp s ILE 32 CO -0.06 -0.22 0.88 -0.47 -0.10 0.00 0.00 174.94 174.96 1shp s TYR 33 N 2.16 3.95 -0.92 3.97 5.04 0.70 -4.56 117.35 127.70 1shp s TYR 33 Ca 0.14 1.81 0.26 0.00 -2.44 0.00 0.00 57.07 56.84 1shp s TYR 33 Cb -0.16 -2.90 1.06 0.00 0.35 0.00 0.00 41.96 40.30 1shp s TYR 33 CO 0.13 0.47 1.83 0.41 -1.34 0.00 0.00 175.55 177.05 1shp n GLY 34 N 1.56 -1.47 0.00 8.97 0.00 0.40 -0.40 105.19 114.25 1shp n GLY 34 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 1.20 3.04 3.95 -0.02 0.00 -1.26 -3.49 105.19 108.61 1shp n GLY 35 Ca 0.06 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.38 -0.53 0.00 0.00 0.00 -1.26 -4.38 105.19 97.64 1shp n GLY 37 Ca -0.07 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.77 0.60 0.00 -0.02 0.00 -1.26 -4.48 105.19 98.25 1shp n GLY 38 Ca -0.05 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 0.21 1.61 0.23 -1.26 -5.04 115.26 111.01 1shp n ASN 39 Ca 0.00 -0.33 0.11 0.00 -0.53 0.00 0.00 54.58 53.83 1shp n ASN 39 Cb 0.00 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 37.89 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 0.00 0.00 -5.48 4.83 0.00 -1.93 -3.38 103.07 97.11 1shp h GLY 40 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 1shp h GLY 40 CO 0.00 0.00 3.38 -2.01 0.00 0.00 0.00 176.54 177.91 1shp n ASN 41 N -3.12 6.85 -2.79 0.19 5.15 -1.26 -4.64 115.26 115.64 1shp n ASN 41 Ca 0.03 -2.74 -0.06 0.00 -0.60 0.00 0.00 54.58 51.21 1shp n ASN 41 Cb 0.54 -1.57 0.01 0.00 -0.53 0.00 0.00 39.78 38.24 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 4.27 -3.24 -4.61 1.20 5.15 -1.25 -4.43 115.26 112.36 1shp n ASN 42 Ca 0.66 -2.96 -0.27 0.00 -0.60 0.00 0.00 54.58 51.41 1shp n ASN 42 Cb 0.29 1.67 -0.09 0.00 -0.53 0.00 0.00 39.78 41.12 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 0.79 2.72 0.21 1.20 0.08 0.11 -4.92 117.98 118.17 1shp s PHE 43 Ca 0.30 -0.19 -0.08 0.00 0.12 0.00 0.00 56.93 57.09 1shp s PHE 43 Cb 0.04 -1.32 0.15 0.00 -0.57 0.00 0.00 43.02 41.32 1shp s PHE 43 CO -0.09 0.52 1.74 1.49 -0.10 0.00 0.00 175.22 178.77 1shp h GLU 44 N 2.83 1.13 -5.34 0.44 4.57 -1.90 0.25 114.58 116.56 1shp h GLU 44 Ca -0.47 -0.26 -0.41 0.00 -1.18 0.00 0.00 59.36 57.05 1shp h GLU 44 Cb 1.20 -0.16 -0.21 0.00 -0.16 0.00 0.00 28.75 29.43 1shp h GLU 44 CO 0.56 0.98 -0.78 0.95 -1.18 0.00 0.00 179.01 179.54 1shp s THR 45 N -5.35 1.12 0.24 0.32 -4.23 -1.26 -4.37 115.64 102.11 1shp s THR 45 Ca -0.12 -1.35 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 1shp s THR 45 Cb 0.15 -1.12 0.24 0.00 1.34 0.00 0.00 72.50 73.11 1shp s THR 45 CO 0.84 -0.25 1.68 0.25 -0.54 0.00 0.00 174.62 176.60 1shp h LEU 46 N 4.20 -0.05 -0.63 4.79 5.85 -1.92 -1.69 115.31 125.86 1shp h LEU 46 Ca -0.41 0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.59 1shp h LEU 46 Cb 1.19 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 42.32 1shp h LEU 46 CO 0.41 -0.06 -0.15 -0.74 -0.34 0.00 0.00 178.44 177.56 1shp h HIS 47 N 0.24 -0.33 0.39 1.25 2.76 -1.98 0.72 115.15 118.20 1shp h HIS 47 Ca 0.41 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.62 1shp h HIS 47 Cb 0.71 0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.91 1shp h HIS 47 CO -0.28 -0.27 -0.19 1.96 -1.30 0.00 0.00 177.93 177.85 1shp h GLN 48 N 0.00 -0.51 -0.84 5.26 4.20 -1.75 0.79 115.11 122.27 1shp h GLN 48 Ca 0.30 0.03 0.19 0.00 0.06 0.00 0.00 58.65 59.23 1shp h GLN 48 Cb 0.46 0.12 -0.11 0.00 0.30 0.00 0.00 27.48 28.24 1shp h GLN 48 CO -0.65 -0.23 0.34 0.00 -0.67 0.00 0.00 178.83 177.63 1shp h ARG 50 N 0.41 -1.12 -0.77 0.00 2.43 -0.81 -0.75 114.38 113.76 1shp h ARG 50 Ca 0.50 0.08 0.12 0.00 -0.81 0.00 0.00 59.98 59.86 1shp h ARG 50 Cb 0.87 0.25 -0.08 0.00 -0.42 0.00 0.00 29.97 30.59 1shp h ARG 50 CO -0.49 -0.74 0.37 0.00 -1.51 0.00 0.00 179.97 177.60 1shp h ALA 51 N -1.07 1.10 -0.24 2.80 0.00 0.66 -2.45 119.26 120.05 1shp h ALA 51 Ca -0.12 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1shp h ALA 51 Cb 0.90 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1shp h ALA 51 CO 0.20 -0.08 -0.21 0.82 0.00 0.00 0.00 179.25 179.98 1shp h ILE 52 N 0.59 1.32 0.00 0.00 5.03 -0.63 -3.46 117.51 120.36 1shp h ILE 52 Ca 0.40 -1.36 0.00 0.00 -0.12 0.00 0.00 64.86 63.78 1shp h ILE 52 Cb 0.50 1.67 0.00 0.00 -3.03 0.00 0.00 36.82 35.96 1shp h ILE 52 CO -0.32 0.42 0.00 0.00 -0.68 0.00 0.00 178.15 177.57 1shp s ARG 54 N -2.00 4.40 0.00 0.00 3.00 -0.38 -4.94 118.95 119.03 1shp s ARG 54 Ca 0.00 2.08 0.00 0.00 -1.00 0.00 0.00 55.73 56.81 1shp s ARG 54 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 34.95 31.79 1shp s ARG 54 CO 0.00 -0.20 0.38 0.00 0.00 0.00 0.00 175.30 175.48