#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 5.15 0.02 0.55 1.09 -1.26 -1.67 121.20 125.08 1drs s ILE 2 Ca 0.00 0.92 -0.06 0.00 -1.10 0.00 0.00 60.65 60.41 1drs s ILE 2 Cb 0.00 -3.79 -0.00 0.00 -1.06 0.00 0.00 42.46 37.60 1drs s ILE 2 CO 0.00 0.38 0.10 0.00 -0.10 0.00 0.00 174.94 175.33 1drs s TYR 4 N -1.76 3.11 -0.34 0.00 2.02 -1.26 -2.08 117.35 117.04 1drs s TYR 4 Ca -0.12 0.18 0.16 0.00 -0.37 0.00 0.00 57.07 56.92 1drs s TYR 4 Cb -0.06 -2.48 0.43 0.00 -0.40 0.00 0.00 41.96 39.45 1drs s TYR 4 CO -0.01 -0.55 0.94 -1.71 -1.57 0.00 0.00 175.55 172.65 1drs n ASN 5 N -2.19 0.96 -2.67 2.29 5.15 -1.08 -4.38 115.26 113.34 1drs n ASN 5 Ca 0.04 -2.77 0.00 0.00 -0.60 0.00 0.00 54.58 51.24 1drs n ASN 5 Cb 0.58 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1drs n HIS 6 N -0.02 -0.35 -4.77 1.20 8.25 -1.19 -4.79 115.22 113.54 1drs n HIS 6 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1drs n HIS 6 Cb 0.79 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.90 1drs n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1drs n LEU 7 N 0.00 0.00 0.00 2.41 4.77 -1.11 -4.73 117.00 118.34 1drs n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1drs n LEU 7 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1drs n LEU 7 CO 0.00 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 175.92 1drs n GLY 8 N 0.00 1.98 0.42 -0.72 0.00 -1.26 -3.36 105.19 102.25 1drs n GLY 8 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1drs n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1drs n THR 9 N 0.00 0.00 -2.83 2.61 -1.04 -1.26 -5.12 114.28 106.64 1drs n THR 9 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1drs n THR 9 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1drs n THR 9 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1drs s LYS 10 N -1.38 3.70 0.98 -2.82 -0.14 -1.21 -5.08 119.74 113.80 1drs s LYS 10 Ca 0.00 0.36 -0.13 0.00 -1.36 0.00 0.00 55.97 54.85 1drs s LYS 10 Cb 0.00 -2.40 0.10 0.00 -1.68 0.00 0.00 37.83 33.84 1drs s LYS 10 CO 0.00 -0.06 0.61 -2.30 -0.76 0.00 0.00 175.35 172.83 1drs n PRO 11 N -1.53 -0.69 -1.60 -1.68 -0.02 -1.26 -2.75 135.00 125.47 1drs n PRO 11 Ca 0.02 -0.16 -0.47 0.00 -2.02 0.00 0.00 63.50 60.87 1drs n PRO 11 Cb 0.54 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1drs n PRO 11 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1drs n PRO 12 N -2.72 1.37 -3.63 0.52 -0.02 -1.26 -4.59 135.00 124.67 1drs n PRO 12 Ca 0.07 0.49 -0.12 0.00 -2.02 0.00 0.00 63.50 61.91 1drs n PRO 12 Cb 0.54 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.98 1drs n PRO 12 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1drs s THR 13 N -0.44 0.00 0.19 3.45 -4.23 -1.26 -5.02 115.64 108.32 1drs s THR 13 Ca 0.68 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.27 1drs s THR 13 Cb -0.77 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 1drs s THR 13 CO 0.54 0.00 -0.16 0.42 -0.54 0.00 0.00 174.62 174.88 1drs s THR 14 N 0.63 1.77 -0.47 3.99 -4.23 -1.26 -2.63 115.64 113.43 1drs s THR 14 Ca -0.02 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1drs s THR 14 Cb -0.05 -1.93 0.12 0.00 1.34 0.00 0.00 72.50 71.98 1drs s THR 14 CO -0.04 -0.46 0.23 -1.61 -0.54 0.00 0.00 174.62 172.20 1drs s GLU 15 N -3.22 1.96 -0.52 3.99 2.02 -0.88 -4.89 118.70 117.16 1drs s GLU 15 Ca 0.19 -2.27 -0.28 0.00 0.02 0.00 0.00 54.97 52.62 1drs s GLU 15 Cb -0.03 -3.41 0.02 0.00 0.10 0.00 0.00 34.13 30.80 1drs s GLU 15 CO 0.07 -1.07 1.34 0.99 0.02 0.00 0.00 175.26 176.61 1drs s THR 16 N 0.31 3.90 0.17 3.63 2.01 -1.26 -2.61 115.64 121.80 1drs s THR 16 Ca 0.14 0.84 0.11 0.00 0.31 0.00 0.00 61.69 63.08 1drs s THR 16 Cb -0.22 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 67.79 1drs s THR 16 CO -0.04 -1.08 -0.21 0.00 -0.69 0.00 0.00 174.62 172.60 1drs n GLN 18 N 0.40 0.65 -1.91 0.00 10.64 -1.26 0.18 117.38 126.08 1drs n GLN 18 Ca -0.14 -0.08 -0.42 0.00 -1.83 0.00 0.00 57.00 54.54 1drs n GLN 18 Cb 0.55 -1.62 -0.03 0.00 -0.86 0.00 0.00 30.24 28.28 1drs n GLN 18 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1drs s GLU 19 N -3.37 4.19 0.00 2.61 8.01 -1.26 -4.70 118.70 124.19 1drs s GLU 19 Ca -0.06 2.36 0.00 0.00 0.01 0.00 0.00 54.97 57.28 1drs s GLU 19 Cb 0.12 -3.55 0.00 0.00 -4.31 0.00 0.00 34.13 26.39 1drs s GLU 19 CO 0.87 -0.73 0.23 -0.25 0.01 0.00 0.00 175.26 175.38 1drs n ASP 20 N 5.44 0.00 -3.69 -0.19 8.00 -1.26 -3.60 116.55 121.25 1drs n ASP 20 Ca 0.16 -0.44 -0.14 0.00 0.71 0.00 0.00 54.79 55.08 1drs n ASP 20 Cb 0.40 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.41 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 -1.78 -0.46 0.16 -2.24 0.15 -1.26 -4.72 113.70 103.54 1drs s SER 21 Ca 0.00 0.75 -0.08 0.00 0.70 0.00 0.00 55.95 57.32 1drs s SER 21 Cb 0.00 0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 65.08 1drs s SER 21 CO 0.00 -0.29 0.25 0.00 1.20 0.00 0.00 173.24 174.40 1drs s TYR 23 N -3.97 0.24 -0.26 0.00 -0.85 -0.41 -1.67 117.35 110.43 1drs s TYR 23 Ca 0.18 -0.64 -0.07 0.00 -0.52 0.00 0.00 57.07 56.01 1drs s TYR 23 Cb 0.04 -0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 1drs s TYR 23 CO -0.00 -0.60 0.06 0.15 -1.52 0.00 0.00 175.55 173.64 1drs s LYS 24 N -3.90 3.50 -0.11 -3.49 -0.14 -0.66 -2.85 119.74 112.09 1drs s LYS 24 Ca 0.09 -0.58 0.03 0.00 -1.36 0.00 0.00 55.97 54.16 1drs s LYS 24 Cb 0.04 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.89 1drs s LYS 24 CO -0.07 -0.25 -0.22 1.21 -0.76 0.00 0.00 175.35 175.26 1drs s ASN 25 N 1.58 3.20 0.00 2.83 2.47 -1.26 -2.59 114.94 121.17 1drs s ASN 25 Ca 0.06 -0.54 0.00 0.00 0.42 0.00 0.00 52.86 52.79 1drs s ASN 25 Cb -0.15 -1.44 0.00 0.00 -1.45 0.00 0.00 41.25 38.20 1drs s ASN 25 CO 0.03 0.14 0.00 2.30 -3.72 0.00 0.00 177.10 175.85 1drs n ILE 26 N 3.64 0.00 0.00 -5.21 -0.00 -1.26 -2.66 119.36 113.88 1drs n ILE 26 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 1drs n ILE 26 Cb 0.53 -0.37 0.00 0.00 -0.00 0.00 0.00 39.64 39.79 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 -2.18 0.00 0.00 4.28 2.14 -1.26 -2.68 117.44 117.74 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 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.82 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 0.00 0.00 0.00 -1.67 5.66 -1.26 -2.07 114.28 114.94 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 0.49 -3.05 0.00 0.00 175.07 172.51 1drs n PHE 29 N -1.94 0.00 0.42 1.09 3.01 -1.26 -4.62 117.46 114.15 1drs n PHE 29 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1drs n PHE 29 Cb 0.00 0.00 0.34 0.00 -0.01 0.00 0.00 39.48 39.81 1drs n PHE 29 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1drs n ASP 30 N 2.92 0.18 -2.18 4.37 5.75 -1.26 -4.96 116.55 121.36 1drs n ASP 30 Ca 0.00 0.55 -0.02 0.00 -0.01 0.00 0.00 54.79 55.31 1drs n ASP 30 Cb 0.00 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 1drs n ASP 30 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1drs n ASN 31 N -1.71 -4.83 -3.62 -1.12 3.02 -0.88 -5.08 115.26 101.05 1drs n ASN 31 Ca 0.03 0.15 -0.09 0.00 -0.03 0.00 0.00 54.58 54.64 1drs n ASN 31 Cb 0.17 -3.09 -0.02 0.00 -0.61 0.00 0.00 39.78 36.22 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 -2.24 0.00 -0.97 2.41 1.10 -1.09 -5.05 121.20 115.35 1drs s ILE 32 Ca 0.07 -0.41 -0.17 0.00 -0.51 0.00 0.00 60.65 59.64 1drs s ILE 32 Cb -0.02 -1.45 0.15 0.00 0.15 0.00 0.00 42.46 41.29 1drs s ILE 32 CO 0.36 0.00 1.14 -0.63 -2.11 0.00 0.00 174.94 173.70 1drs s ILE 33 N -3.64 4.92 -0.04 2.00 -1.09 -1.26 -4.05 121.20 118.03 1drs s ILE 33 Ca 0.06 -1.92 -0.02 0.00 -2.23 0.00 0.00 60.65 56.54 1drs s ILE 33 Cb -0.03 -4.76 0.03 0.00 -1.58 0.00 0.00 42.46 36.12 1drs s ILE 33 CO -0.04 -1.46 0.09 -0.60 -1.23 0.00 0.00 174.94 171.70 1drs s ARG 34 N 2.08 0.04 0.00 2.79 3.52 -1.09 -4.75 118.95 121.54 1drs s ARG 34 Ca 0.33 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 1drs s ARG 34 Cb -0.05 -0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.17 1drs s ARG 34 CO -0.08 -0.14 0.00 2.89 -0.81 0.00 0.00 175.30 177.16 1drs n ARG 35 N 4.02 0.00 -3.95 5.12 1.85 -1.26 -4.35 116.66 118.09 1drs n ARG 35 Ca -0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.60 1drs n ARG 35 Cb 0.52 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.95 1drs n ARG 35 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1drs s GLY 36 N -0.91 0.01 -0.44 2.89 0.00 -1.13 -4.70 107.32 103.04 1drs s GLY 36 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 44.72 44.37 1drs s GLY 36 CO 0.00 4.31 0.46 0.00 0.00 0.00 0.00 173.10 177.87 1drs n GLY 38 N 5.13 -2.06 7.00 0.00 0.00 -0.98 -5.00 105.19 109.28 1drs n GLY 38 Ca -0.08 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.08 -3.48 0.00 3.72 -1.26 -4.97 117.46 109.38 1drs n PHE 40 Ca 0.00 0.86 -0.38 0.00 -0.05 0.00 0.00 57.45 57.88 1drs n PHE 40 Cb 0.00 -3.85 -0.09 0.00 -0.94 0.00 0.00 39.48 34.60 1drs n PHE 40 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1drs s THR 41 N -3.42 5.24 -0.76 4.37 -4.23 -1.26 -5.03 115.64 110.55 1drs s THR 41 Ca 0.51 0.45 -0.26 0.00 -1.18 0.00 0.00 61.69 61.21 1drs s THR 41 Cb -0.26 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 69.96 1drs s THR 41 CO 0.85 0.24 1.54 -2.84 -0.54 0.00 0.00 174.62 173.87 1drs s PRO 42 N 1.61 3.02 -0.48 3.99 0.02 -1.26 -4.94 135.00 136.96 1drs s PRO 42 Ca 0.13 -0.12 -0.24 0.00 0.02 0.00 0.00 61.00 60.79 1drs s PRO 42 Cb -0.15 -4.49 0.03 0.00 0.02 0.00 0.00 34.50 29.91 1drs s PRO 42 CO 0.08 -2.45 0.89 0.50 -0.33 0.00 0.00 177.00 175.70 1drs s ARG 43 N 6.13 3.44 0.00 5.54 3.52 -1.26 -4.60 118.95 131.72 1drs s ARG 43 Ca 0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 1drs s ARG 43 Cb -0.08 -3.96 0.00 0.00 -1.56 0.00 0.00 34.95 29.34 1drs s ARG 43 CO 0.12 -1.26 0.00 0.41 -0.81 0.00 0.00 175.30 173.75 1drs n GLY 44 N 5.00 1.53 2.41 8.12 0.00 -1.26 -4.96 105.19 116.03 1drs n GLY 44 Ca 0.04 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1drs n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1drs n ASP 45 N 0.00 6.76 -3.46 1.61 5.68 -1.26 -4.81 116.55 121.07 1drs n ASP 45 Ca 0.00 -3.78 -0.11 0.00 -0.50 0.00 0.00 54.79 50.39 1drs n ASP 45 Cb 0.00 -0.81 -0.10 0.00 -1.14 0.00 0.00 41.12 39.08 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 1drs s MET 46 N -3.80 0.29 0.63 0.11 1.75 -1.26 -5.17 119.30 111.85 1drs s MET 46 Ca 0.57 0.58 -0.16 0.00 -1.25 0.00 0.00 55.69 55.43 1drs s MET 46 Cb 0.46 -0.43 -0.01 0.00 2.84 0.00 0.00 34.83 37.69 1drs s MET 46 CO -0.11 -0.54 1.12 -2.14 -0.65 0.00 0.00 175.02 172.70 1drs s PRO 47 N 2.51 2.91 0.09 4.11 0.02 -1.26 -4.56 135.00 138.81 1drs s PRO 47 Ca 0.08 1.48 -0.27 0.00 0.02 0.00 0.00 61.00 62.32 1drs s PRO 47 Cb -0.15 -1.96 0.08 0.00 0.02 0.00 0.00 34.50 32.50 1drs s PRO 47 CO -0.14 -1.18 1.05 0.20 -0.33 0.00 0.00 177.00 176.60 1drs s GLY 48 N -2.31 -0.29 0.18 0.52 0.00 -1.26 -5.02 107.32 99.14 1drs s GLY 48 Ca 0.69 0.36 -0.03 0.00 0.00 0.00 0.00 44.72 45.74 1drs s GLY 48 CO 0.38 0.06 0.17 -1.55 0.00 0.00 0.00 173.10 172.16 1drs n PRO 49 N -0.46 -1.22 -4.43 2.90 -0.04 -1.26 -5.08 135.00 125.42 1drs n PRO 49 Ca -0.07 -0.27 -0.34 0.00 -0.04 0.00 0.00 63.50 62.79 1drs n PRO 49 Cb 0.61 -0.24 -0.12 0.00 -0.04 0.00 0.00 33.50 33.71 1drs n PRO 49 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1drs s TYR 50 N -1.31 3.02 0.42 0.54 -0.85 -1.07 -5.02 117.35 113.07 1drs s TYR 50 Ca 0.11 -0.26 0.07 0.00 -0.52 0.00 0.00 57.07 56.47 1drs s TYR 50 Cb -0.01 -1.93 -0.07 0.00 0.38 0.00 0.00 41.96 40.33 1drs s TYR 50 CO 0.08 0.01 0.05 0.00 -1.52 0.00 0.00 175.55 174.17 1drs n GLU 53 N 0.07 1.59 -3.67 0.00 0.28 -1.26 -2.11 120.64 115.54 1drs n GLU 53 Ca -0.13 -3.61 -0.11 0.00 -0.16 0.00 0.00 57.16 53.15 1drs n GLU 53 Cb 0.61 -1.62 -0.06 0.00 1.43 0.00 0.00 31.44 31.81 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1drs s SER 54 N -2.99 -0.22 0.31 -1.84 0.15 -1.26 -4.99 113.70 102.85 1drs s SER 54 Ca 0.36 -0.20 -0.28 0.00 0.70 0.00 0.00 55.95 56.53 1drs s SER 54 Cb 0.40 0.43 -0.09 0.00 -1.71 0.00 0.00 66.02 65.05 1drs s SER 54 CO -0.05 -0.74 1.08 1.51 1.20 0.00 0.00 173.24 176.24 1drs s ASP 55 N -2.41 7.16 0.00 5.45 -4.77 -1.26 -4.53 116.67 116.31 1drs s ASP 55 Ca -0.01 2.19 0.00 0.00 -3.30 0.00 0.00 52.55 51.43 1drs s ASP 55 Cb 0.01 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 1drs s ASP 55 CO -0.07 -0.21 0.00 0.29 0.70 0.00 0.00 175.17 175.88 1drs n LYS 56 N 0.89 0.00 0.00 2.11 4.01 -0.73 -4.90 118.16 119.54 1drs n LYS 56 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1drs n LYS 56 Cb 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.98 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 2.10 -1.77 0.00 0.00 2.85 -1.26 -5.17 115.26 112.01 1drs n ASN 58 Ca 0.00 -1.98 0.00 0.00 -0.11 0.00 0.00 54.58 52.49 1drs n ASN 58 Cb 0.00 0.99 0.00 0.00 1.24 0.00 0.00 39.78 42.01 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33