#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1drs s ILE 2 N 0.00 4.86 0.22 5.15 1.09 -1.26 -2.64 121.20 128.62 1drs s ILE 2 Ca 0.00 1.59 0.07 0.00 -1.10 0.00 0.00 60.65 61.21 1drs s ILE 2 Cb 0.00 -4.12 -0.05 0.00 -1.06 0.00 0.00 42.46 37.23 1drs s ILE 2 CO 0.00 -0.02 -0.11 0.00 -0.10 0.00 0.00 174.94 174.71 1drs s TYR 4 N -3.05 2.90 0.00 0.00 1.51 -1.26 -0.65 117.35 116.80 1drs s TYR 4 Ca 0.24 1.11 0.06 0.00 -1.01 0.00 0.00 57.07 57.48 1drs s TYR 4 Cb 0.01 -3.13 0.10 0.00 -0.11 0.00 0.00 41.96 38.83 1drs s TYR 4 CO 0.08 -1.70 0.99 0.27 -1.11 0.00 0.00 175.55 174.08 1drs n ASN 5 N -3.37 0.20 -3.43 2.29 6.94 -1.12 -3.38 115.26 113.40 1drs n ASN 5 Ca 0.07 -1.90 -0.31 0.00 -0.02 0.00 0.00 54.58 52.43 1drs n ASN 5 Cb 0.57 -0.18 0.28 0.00 -2.36 0.00 0.00 39.78 38.08 1drs n ASN 5 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1drs s HIS 6 N 0.00 -0.54 0.02 -2.53 3.76 -1.08 -4.53 115.29 110.39 1drs s HIS 6 Ca 0.08 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.48 1drs s HIS 6 Cb 0.09 -3.06 0.00 0.00 1.11 0.00 0.00 32.58 30.72 1drs s HIS 6 CO -0.04 -4.80 0.00 1.28 -0.85 0.00 0.00 174.74 170.33 1drs n LEU 7 N -5.46 0.00 0.00 0.89 4.77 -0.38 -4.28 117.00 112.54 1drs n LEU 7 Ca 0.14 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1drs n LEU 7 Cb 0.60 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1drs n LEU 7 CO 0.42 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1drs n GLY 8 N -0.38 1.98 0.12 -0.72 0.00 -1.26 -3.30 105.19 101.62 1drs n GLY 8 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1drs n GLY 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1drs h THR 9 N 0.00 1.33 -2.76 2.61 2.02 -2.00 -3.47 112.91 110.65 1drs h THR 9 Ca 0.00 -2.50 -0.65 0.00 0.77 0.00 0.00 66.41 64.03 1drs h THR 9 Cb 0.00 3.02 -0.06 0.00 -1.74 0.00 0.00 68.15 69.37 1drs h THR 9 CO 0.00 0.71 -0.41 -0.75 0.37 0.00 0.00 175.52 175.44 1drs s LYS 10 N -2.45 3.55 1.10 6.66 2.20 -1.21 -5.12 119.74 124.47 1drs s LYS 10 Ca -0.16 -0.03 -0.12 0.00 -0.36 0.00 0.00 55.97 55.30 1drs s LYS 10 Cb 0.02 -3.18 0.25 0.00 -1.51 0.00 0.00 37.83 33.41 1drs s LYS 10 CO 0.81 0.74 1.05 -2.14 -0.36 0.00 0.00 175.35 175.46 1drs s PRO 11 N -1.18 -0.39 0.03 4.03 0.02 -1.26 -1.25 135.00 134.99 1drs s PRO 11 Ca 0.19 0.78 -0.23 0.00 0.02 0.00 0.00 61.00 61.76 1drs s PRO 11 Cb -0.13 -1.62 -0.12 0.00 0.02 0.00 0.00 34.50 32.65 1drs s PRO 11 CO 0.08 -3.36 0.57 -2.30 -0.33 0.00 0.00 177.00 171.66 1drs n PRO 12 N -4.65 0.00 0.00 5.54 -0.02 -1.26 -4.61 135.00 130.00 1drs n PRO 12 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1drs n PRO 12 Cb 0.55 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 1drs n PRO 12 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1drs n THR 13 N 0.69 0.00 -4.24 3.45 -2.24 -1.26 -5.03 114.28 105.65 1drs n THR 13 Ca 0.12 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.76 1drs n THR 13 Cb 0.07 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.20 1drs n THR 13 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1drs s THR 14 N -2.00 0.23 -0.37 4.28 -4.23 -1.26 -2.63 115.64 109.66 1drs s THR 14 Ca 0.00 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.47 1drs s THR 14 Cb 0.00 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.43 1drs s THR 14 CO 0.00 -0.07 0.15 -0.70 -0.54 0.00 0.00 174.62 173.46 1drs s GLU 15 N -4.09 2.37 -0.19 3.99 2.12 0.17 -4.76 118.70 118.30 1drs s GLU 15 Ca 0.36 -1.48 -0.29 0.00 0.36 0.00 0.00 54.97 53.93 1drs s GLU 15 Cb 0.07 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.96 1drs s GLU 15 CO 0.11 -0.86 1.06 0.99 -0.54 0.00 0.00 175.26 176.03 1drs s THR 16 N 1.29 4.65 -0.02 -1.70 2.01 -1.26 -2.61 115.64 117.99 1drs s THR 16 Ca 0.02 1.97 -0.11 0.00 0.31 0.00 0.00 61.69 63.88 1drs s THR 16 Cb -0.21 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.04 1drs s THR 16 CO -0.01 -0.13 0.24 0.00 -0.69 0.00 0.00 174.62 174.03 1drs n GLN 18 N 1.62 1.59 -1.96 0.00 3.00 -1.26 0.98 117.38 121.36 1drs n GLN 18 Ca -0.21 -1.26 -0.42 0.00 -0.01 0.00 0.00 57.00 55.10 1drs n GLN 18 Cb 0.56 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 29.30 1drs n GLN 18 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1drs s GLU 19 N -2.28 4.09 0.00 -1.09 0.41 -1.26 -4.76 118.70 113.81 1drs s GLU 19 Ca 0.24 2.18 0.05 0.00 -0.41 0.00 0.00 54.97 57.02 1drs s GLU 19 Cb 0.19 -4.03 0.29 0.00 -1.78 0.00 0.00 34.13 28.80 1drs s GLU 19 CO 0.46 -0.96 0.66 -0.25 -0.49 0.00 0.00 175.26 174.68 1drs n ASP 20 N 7.51 0.00 -3.73 -0.19 8.00 -1.26 -3.64 116.55 123.24 1drs n ASP 20 Ca 0.18 -0.44 -0.12 0.00 0.71 0.00 0.00 54.79 55.12 1drs n ASP 20 Cb 0.43 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.40 1drs n ASP 20 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1drs s SER 21 N -1.86 -0.26 0.01 -2.24 0.15 -1.26 -4.70 113.70 103.55 1drs s SER 21 Ca 0.07 0.54 -0.00 0.00 0.70 0.00 0.00 55.95 57.25 1drs s SER 21 Cb 0.03 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1drs s SER 21 CO 0.06 -0.17 -0.01 0.00 1.20 0.00 0.00 173.24 174.31 1drs s TYR 23 N -1.10 1.64 -0.20 0.00 -0.85 -0.30 -2.11 117.35 114.43 1drs s TYR 23 Ca -0.12 -0.94 -0.06 0.00 -0.52 0.00 0.00 57.07 55.42 1drs s TYR 23 Cb -0.07 -0.97 -0.03 0.00 0.38 0.00 0.00 41.96 41.26 1drs s TYR 23 CO -0.01 -0.05 0.03 0.15 -1.52 0.00 0.00 175.55 174.16 1drs s LYS 24 N -3.88 3.75 -0.07 -3.49 3.01 -0.72 -2.75 119.74 115.59 1drs s LYS 24 Ca 0.31 -0.45 -0.00 0.00 -1.01 0.00 0.00 55.97 54.81 1drs s LYS 24 Cb 0.06 -3.16 0.02 0.00 -1.01 0.00 0.00 37.83 33.74 1drs s LYS 24 CO 0.10 0.07 -0.04 1.21 0.51 0.00 0.00 175.35 177.21 1drs s ASN 25 N 0.88 1.50 0.00 2.83 2.47 -1.26 -2.88 114.94 118.48 1drs s ASN 25 Ca 0.02 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.14 1drs s ASN 25 Cb -0.14 -0.55 0.00 0.00 -1.45 0.00 0.00 41.25 39.11 1drs s ASN 25 CO 0.02 -0.11 0.10 2.30 -3.72 0.00 0.00 177.10 175.69 1drs n ILE 26 N 4.62 0.00 0.00 -5.21 -0.00 -1.26 -2.15 119.36 115.37 1drs n ILE 26 Ca -0.16 -0.23 0.00 0.00 -0.00 0.00 0.00 62.75 62.37 1drs n ILE 26 Cb 0.50 1.23 0.00 0.00 -0.00 0.00 0.00 39.64 41.38 1drs n ILE 26 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.55 173.88 1drs n TRP 27 N -0.26 0.00 0.00 4.28 2.14 -1.23 -2.85 117.44 119.51 1drs n TRP 27 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1drs n TRP 27 Cb 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.56 1drs n TRP 27 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1drs n THR 28 N -0.18 0.00 0.00 -1.67 5.66 -1.26 -1.58 114.28 115.24 1drs n THR 28 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1drs n THR 28 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1drs n THR 28 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 1drs n PHE 29 N 0.00 0.00 0.39 1.09 7.35 -1.26 -4.95 117.46 120.07 1drs n PHE 29 Ca 0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 1drs n PHE 29 Cb 0.00 0.00 0.52 0.00 0.35 0.00 0.00 39.48 40.35 1drs n PHE 29 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 1drs h ASP 30 N 0.00 0.00 -3.01 -2.13 2.03 -2.01 -3.48 116.42 107.82 1drs h ASP 30 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1drs h ASP 30 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1drs h ASP 30 CO 0.00 0.00 -0.00 0.59 -1.03 0.00 0.00 179.24 178.80 1drs n ASN 31 N -2.46 -2.03 -3.61 4.15 3.02 -0.62 -5.13 115.26 108.58 1drs n ASN 31 Ca 0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.54 1drs n ASN 31 Cb 0.28 -1.02 -0.02 0.00 -0.61 0.00 0.00 39.78 38.41 1drs n ASN 31 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1drs s ILE 32 N -0.69 0.00 -0.68 2.41 1.10 -1.06 -4.99 121.20 117.29 1drs s ILE 32 Ca 0.00 -0.17 -0.16 0.00 -0.51 0.00 0.00 60.65 59.81 1drs s ILE 32 Cb -0.00 -1.41 0.16 0.00 0.15 0.00 0.00 42.46 41.35 1drs s ILE 32 CO 0.00 0.00 0.69 -0.63 -2.11 0.00 0.00 174.94 172.89 1drs s ILE 33 N -2.75 5.23 -0.12 2.00 1.09 -1.26 -3.57 121.20 121.83 1drs s ILE 33 Ca 0.10 -1.74 -0.04 0.00 -1.10 0.00 0.00 60.65 57.87 1drs s ILE 33 Cb 0.00 -4.45 0.05 0.00 -1.06 0.00 0.00 42.46 37.00 1drs s ILE 33 CO -0.04 -1.03 0.07 -0.60 -0.10 0.00 0.00 174.94 173.24 1drs s ARG 34 N 1.41 0.05 0.00 2.79 3.52 -0.91 -4.59 118.95 121.22 1drs s ARG 34 Ca 0.12 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 1drs s ARG 34 Cb -0.20 -1.29 0.00 0.00 -1.56 0.00 0.00 34.95 31.91 1drs s ARG 34 CO -0.01 -0.52 0.00 2.89 -0.81 0.00 0.00 175.30 176.85 1drs n ARG 35 N 5.27 0.00 -3.31 5.12 1.85 -1.26 -4.60 116.66 119.73 1drs n ARG 35 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1drs n ARG 35 Cb 0.49 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 1drs n ARG 35 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1drs n GLY 36 N 0.00 -1.00 3.72 2.89 0.00 -1.11 -4.23 105.19 105.46 1drs n GLY 36 Ca 0.00 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1drs n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs n GLY 38 N 3.31 -2.15 7.00 0.00 0.00 -1.04 -4.99 105.19 107.33 1drs n GLY 38 Ca -0.08 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1drs n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs n PHE 40 N 0.00 -2.27 -3.94 0.00 3.72 -1.26 -5.00 117.46 108.71 1drs n PHE 40 Ca 0.00 0.76 -0.31 0.00 -0.05 0.00 0.00 57.45 57.86 1drs n PHE 40 Cb 0.00 -4.06 -0.15 0.00 -0.94 0.00 0.00 39.48 34.33 1drs n PHE 40 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1drs s THR 41 N -3.43 1.65 -0.60 4.37 -1.32 -1.26 -5.09 115.64 109.97 1drs s THR 41 Ca 0.39 -1.50 -0.23 0.00 -1.21 0.00 0.00 61.69 59.15 1drs s THR 41 Cb -0.08 -2.00 0.06 0.00 -1.51 0.00 0.00 72.50 68.97 1drs s THR 41 CO 0.77 -0.26 0.91 -2.84 -2.21 0.00 0.00 174.62 170.99 1drs s PRO 42 N 1.30 3.19 0.15 7.08 0.02 -1.26 -5.02 135.00 140.46 1drs s PRO 42 Ca -0.01 -0.63 0.06 0.00 0.02 0.00 0.00 61.00 60.43 1drs s PRO 42 Cb -0.19 -4.15 -0.04 0.00 0.02 0.00 0.00 34.50 30.14 1drs s PRO 42 CO -0.09 -1.61 -0.13 -0.98 -0.33 0.00 0.00 177.00 173.86 1drs s ARG 43 N 3.82 1.09 0.00 5.54 1.04 -1.26 -5.06 118.95 124.11 1drs s ARG 43 Ca 0.24 -1.37 0.00 0.00 -1.04 0.00 0.00 55.73 53.56 1drs s ARG 43 Cb -0.16 -0.83 0.00 0.00 -2.04 0.00 0.00 34.95 31.92 1drs s ARG 43 CO 0.14 0.14 0.00 0.41 -0.04 0.00 0.00 175.30 175.95 1drs n GLY 44 N 0.11 -0.30 2.21 3.88 0.00 -1.26 -4.90 105.19 104.94 1drs n GLY 44 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1drs n GLY 44 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1drs n ASP 45 N -1.56 0.47 -4.29 1.61 2.03 -1.26 -5.07 116.55 108.47 1drs n ASP 45 Ca 0.00 -2.92 -0.34 0.00 0.52 0.00 0.00 54.79 52.05 1drs n ASP 45 Cb 0.00 -0.53 -0.15 0.00 -0.72 0.00 0.00 41.12 39.73 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1drs s MET 46 N -1.89 3.29 -0.32 -0.67 -2.45 -1.26 -5.07 119.30 110.94 1drs s MET 46 Ca 0.38 -0.69 -0.29 0.00 -1.25 0.00 0.00 55.69 53.83 1drs s MET 46 Cb 0.28 -2.77 -0.12 0.00 1.25 0.00 0.00 34.83 33.47 1drs s MET 46 CO -0.09 -0.05 1.20 -2.30 1.05 0.00 0.00 175.02 174.82 1drs n PRO 47 N 4.29 0.00 -3.62 4.11 -0.02 -1.26 -4.91 135.00 133.60 1drs n PRO 47 Ca -0.19 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.18 1drs n PRO 47 Cb 0.51 -0.95 -0.07 0.00 -0.02 0.00 0.00 33.50 32.98 1drs n PRO 47 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1drs s GLY 48 N 2.92 -0.32 0.97 -1.23 0.00 -1.26 -5.13 107.32 103.27 1drs s GLY 48 Ca 0.72 2.30 -0.12 0.00 0.00 0.00 0.00 44.72 47.62 1drs s GLY 48 CO 0.47 1.65 1.08 2.56 0.00 0.00 0.00 173.10 178.86 1drs s PRO 49 N 0.02 0.66 -0.13 2.90 0.04 -1.26 -5.05 135.00 132.17 1drs s PRO 49 Ca 0.01 0.88 -0.06 0.00 0.04 0.00 0.00 61.00 61.86 1drs s PRO 49 Cb -0.04 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1drs s PRO 49 CO -0.02 -2.67 0.11 1.52 0.04 0.00 0.00 177.00 175.98 1drs s TYR 50 N -2.80 3.47 0.24 0.56 1.13 -1.14 -4.95 117.35 113.85 1drs s TYR 50 Ca 0.65 0.41 0.05 0.00 -1.41 0.00 0.00 57.07 56.77 1drs s TYR 50 Cb -0.20 -1.95 -0.05 0.00 -1.10 0.00 0.00 41.96 38.65 1drs s TYR 50 CO 0.59 0.59 -0.04 0.00 -2.51 0.00 0.00 175.55 174.17 1drs n GLU 53 N -0.30 2.68 -2.75 0.00 0.28 -1.26 -1.57 120.64 117.71 1drs n GLU 53 Ca -0.08 -3.77 -0.08 0.00 -0.16 0.00 0.00 57.16 53.08 1drs n GLU 53 Cb 0.62 -1.90 -0.02 0.00 1.43 0.00 0.00 31.44 31.57 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1drs n SER 54 N -0.67 1.01 -4.54 -1.84 2.88 -1.26 -4.97 113.62 104.22 1drs n SER 54 Ca 0.30 -1.68 -0.43 0.00 -1.33 0.00 0.00 58.87 55.73 1drs n SER 54 Cb 0.90 0.33 -0.04 0.00 -0.75 0.00 0.00 64.21 64.65 1drs n SER 54 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1drs s ASP 55 N -1.78 6.39 0.00 -3.46 2.15 -1.26 -4.60 116.67 114.11 1drs s ASP 55 Ca 0.07 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.89 1drs s ASP 55 Cb 0.00 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1drs s ASP 55 CO 0.05 -1.29 0.00 0.29 -0.17 0.00 0.00 175.17 174.05 1drs n LYS 56 N 7.74 0.00 -3.09 4.34 4.01 -1.02 -4.61 118.16 125.54 1drs n LYS 56 Ca 0.04 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.77 1drs n LYS 56 Cb 0.48 0.00 0.03 0.00 -0.51 0.00 0.00 35.03 35.03 1drs n LYS 56 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1drs n ASN 58 N -2.43 0.00 0.00 0.00 4.13 -1.26 -5.07 115.26 110.63 1drs n ASN 58 Ca -0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1drs n ASN 58 Cb 0.56 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72