#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 5.08 0.18 5.15 1.01 -1.26 -2.33 121.20 129.03 1drs s ILE 2 Ca 0.00 0.53 -0.09 0.00 0.00 0.00 0.00 60.65 61.09 1drs s ILE 2 Cb 0.00 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 1drs s ILE 2 CO 0.00 0.34 0.31 0.00 0.00 0.00 0.00 174.94 175.60 1drs s TYR 4 N -3.99 2.77 -0.39 0.00 2.02 -1.26 -0.98 117.35 115.52 1drs s TYR 4 Ca 0.20 1.08 0.08 0.00 -0.37 0.00 0.00 57.07 58.06 1drs s TYR 4 Cb 0.03 -3.18 0.36 0.00 -0.40 0.00 0.00 41.96 38.76 1drs s TYR 4 CO 0.02 -1.89 1.32 -1.71 -1.57 0.00 0.00 175.55 171.73 1drs n ASN 5 N -3.49 -1.85 -1.11 2.29 5.15 -0.96 -4.47 115.26 110.81 1drs n ASN 5 Ca 0.07 -2.43 0.00 0.00 -0.60 0.00 0.00 54.58 51.62 1drs n ASN 5 Cb 0.57 1.05 0.00 0.00 -0.53 0.00 0.00 39.78 40.87 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 -0.55 0.00 -3.03 1.20 8.25 -1.17 -4.69 115.22 115.24 1drs n HIS 6 Ca -0.05 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.50 1drs n HIS 6 Cb 0.82 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.91 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 4.32 -0.38 -4.83 117.00 118.52 1drs n LEU 7 Ca 0.00 0.70 0.00 0.00 -0.02 0.00 0.00 56.01 56.69 1drs n LEU 7 Cb 0.00 -1.97 0.00 0.00 -1.62 0.00 0.00 43.42 39.83 1drs n LEU 7 CO 0.00 -1.92 0.00 0.61 -1.22 0.00 0.00 177.39 174.86 1drs n GLY 8 N -1.98 1.99 0.64 -0.72 0.00 -1.26 -3.36 105.19 100.51 1drs n GLY 8 Ca 0.00 -0.27 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 -4.24 2.61 -1.04 -1.26 -5.11 114.28 105.24 1drs n THR 9 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1drs n THR 9 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 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 3.77 0.00 -2.82 -0.14 -1.21 -5.08 119.74 112.89 1drs s LYS 10 Ca 0.00 -0.46 0.22 0.00 -1.36 0.00 0.00 55.97 54.38 1drs s LYS 10 Cb 0.00 -3.03 0.50 0.00 -1.68 0.00 0.00 37.83 33.62 1drs s LYS 10 CO 0.00 0.24 1.44 -0.35 -0.76 0.00 0.00 175.35 175.91 1drs n PRO 11 N 3.58 2.32 0.08 -1.68 -0.04 -1.26 -1.25 135.00 136.75 1drs n PRO 11 Ca -0.17 -1.99 0.11 0.00 -0.04 0.00 0.00 63.50 61.41 1drs n PRO 11 Cb 0.52 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1drs n PRO 11 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1drs n PRO 12 N 1.20 0.61 -3.32 0.54 -0.02 -1.26 -4.69 135.00 128.07 1drs n PRO 12 Ca 0.19 0.07 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 1drs n PRO 12 Cb 0.54 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 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 -3.39 4.80 -0.01 3.45 -4.23 -1.26 -5.01 115.64 109.98 1drs s THR 13 Ca -0.02 1.05 0.04 0.00 -1.18 0.00 0.00 61.69 61.58 1drs s THR 13 Cb 0.10 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 1drs s THR 13 CO 0.81 0.43 -0.12 0.42 -0.54 0.00 0.00 174.62 175.62 1drs s THR 14 N -1.25 0.97 -0.28 3.99 -4.23 -1.26 -2.27 115.64 111.31 1drs s THR 14 Ca 0.32 -0.54 -0.09 0.00 -1.18 0.00 0.00 61.69 60.20 1drs s THR 14 Cb -0.18 -0.81 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 1drs s THR 14 CO 0.19 0.26 0.13 -1.61 -0.54 0.00 0.00 174.62 173.05 1drs s GLU 15 N -0.32 3.58 -0.48 3.99 2.02 -0.15 -4.95 118.70 122.39 1drs s GLU 15 Ca 0.05 -0.55 -0.25 0.00 0.02 0.00 0.00 54.97 54.23 1drs s GLU 15 Cb -0.05 -3.51 0.03 0.00 0.10 0.00 0.00 34.13 30.70 1drs s GLU 15 CO -0.00 -0.29 0.94 0.99 0.02 0.00 0.00 175.26 176.92 1drs s THR 16 N 1.65 4.44 0.12 3.63 2.01 -1.26 -2.58 115.64 123.65 1drs s THR 16 Ca 0.06 0.71 0.08 0.00 0.31 0.00 0.00 61.69 62.84 1drs s THR 16 Cb -0.16 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 1drs s THR 16 CO 0.06 -0.89 -0.13 0.00 -0.69 0.00 0.00 174.62 172.97 1drs n GLN 18 N 0.66 0.72 -3.87 0.00 1.13 -1.26 -0.09 117.38 114.67 1drs n GLN 18 Ca -0.14 -0.08 -0.36 0.00 -1.94 0.00 0.00 57.00 54.48 1drs n GLN 18 Cb 0.53 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.31 1drs n GLN 18 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1drs s GLU 19 N -2.34 3.62 0.29 -1.09 2.02 -1.26 -4.70 118.70 115.25 1drs s GLU 19 Ca 0.36 -0.17 0.03 0.00 0.02 0.00 0.00 54.97 55.20 1drs s GLU 19 Cb 0.21 -3.23 0.74 0.00 0.10 0.00 0.00 34.13 31.95 1drs s GLU 19 CO 0.43 0.64 1.65 -0.44 0.02 0.00 0.00 175.26 177.55 1drs h ASP 20 N 5.47 0.03 -4.35 -0.19 5.19 -1.89 0.38 116.42 121.07 1drs h ASP 20 Ca -0.51 0.20 -0.46 0.00 -0.62 0.00 0.00 57.03 55.64 1drs h ASP 20 Cb 1.21 0.26 -0.23 0.00 0.18 0.00 0.00 39.33 40.74 1drs h ASP 20 CO 0.63 -0.16 -0.80 -0.55 -3.12 0.00 0.00 179.24 175.24 1drs s SER 21 N -5.07 1.86 0.07 6.45 0.15 -1.26 -4.43 113.70 111.47 1drs s SER 21 Ca -0.12 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.01 1drs s SER 21 Cb 0.26 -0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.43 1drs s SER 21 CO 0.77 0.02 -0.07 0.00 1.20 0.00 0.00 173.24 175.16 1drs s TYR 23 N -2.70 1.10 -0.24 0.00 -0.85 -0.53 -1.79 117.35 112.34 1drs s TYR 23 Ca 0.03 -0.66 -0.10 0.00 -0.52 0.00 0.00 57.07 55.81 1drs s TYR 23 Cb -0.01 -0.60 -0.05 0.00 0.38 0.00 0.00 41.96 41.68 1drs s TYR 23 CO -0.03 0.02 0.16 0.15 -1.52 0.00 0.00 175.55 174.33 1drs s LYS 24 N -2.89 4.04 -0.22 -3.49 3.01 -0.39 -2.81 119.74 116.99 1drs s LYS 24 Ca 0.07 -0.28 0.01 0.00 -1.01 0.00 0.00 55.97 54.76 1drs s LYS 24 Cb -0.02 -3.54 0.04 0.00 -1.01 0.00 0.00 37.83 33.29 1drs s LYS 24 CO 0.00 0.03 -0.14 1.21 0.51 0.00 0.00 175.35 176.96 1drs s ASN 25 N 1.15 3.85 -0.00 2.83 2.47 -1.26 -2.97 114.94 121.01 1drs s ASN 25 Ca 0.07 -0.96 0.00 0.00 0.42 0.00 0.00 52.86 52.39 1drs s ASN 25 Cb -0.14 -1.54 -0.01 0.00 -1.45 0.00 0.00 41.25 38.11 1drs s ASN 25 CO 0.05 -0.09 0.00 2.30 -3.72 0.00 0.00 177.10 175.64 1drs n ILE 26 N 4.56 0.02 0.00 -5.21 -0.00 -1.26 -2.50 119.36 114.97 1drs n ILE 26 Ca -0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 1drs n ILE 26 Cb 0.47 -0.47 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 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 -1.84 0.00 -0.26 4.28 2.14 -1.26 -3.77 117.44 116.73 1drs n TRP 27 Ca -0.00 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.59 1drs n TRP 27 Cb 0.34 0.00 -0.01 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 -0.22 -0.17 -1.67 5.66 -1.26 -2.28 114.28 114.34 1drs n THR 28 Ca 0.00 0.19 -0.08 0.00 -3.05 0.00 0.00 64.05 61.10 1drs n THR 28 Cb 0.00 -0.28 0.01 0.00 -1.55 0.00 0.00 70.33 68.51 1drs n THR 28 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1drs h PHE 29 N -0.21 0.72 0.00 1.09 0.04 -1.99 -3.06 116.94 113.53 1drs h PHE 29 Ca -0.03 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1drs h PHE 29 Cb 0.24 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1drs h PHE 29 CO 0.01 0.59 0.00 -0.40 -0.60 0.00 0.00 178.31 177.91 1drs n ASP 30 N -4.59 0.00 -2.89 2.17 5.75 -1.26 -4.96 116.55 110.77 1drs n ASP 30 Ca 0.02 -0.45 -0.01 0.00 -0.01 0.00 0.00 54.79 54.34 1drs n ASP 30 Cb 0.14 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1drs n ASP 30 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1drs n ASN 31 N -1.10 -7.29 -3.51 -1.12 5.15 -1.16 -5.03 115.26 101.20 1drs n ASN 31 Ca 0.14 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.03 1drs n ASN 31 Cb 0.11 -4.93 -0.03 0.00 -0.53 0.00 0.00 39.78 34.41 1drs n ASN 31 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1drs s ILE 32 N -2.93 0.00 -0.87 -1.44 1.10 -0.96 -5.06 121.20 111.03 1drs s ILE 32 Ca 0.03 0.00 -0.18 0.00 -0.51 0.00 0.00 60.65 59.99 1drs s ILE 32 Cb -0.01 -1.00 0.15 0.00 0.15 0.00 0.00 42.46 41.75 1drs s ILE 32 CO 0.68 0.00 1.00 -0.63 -2.11 0.00 0.00 174.94 173.88 1drs s ILE 33 N -2.76 4.96 -0.05 2.00 1.01 -1.26 -4.26 121.20 120.85 1drs s ILE 33 Ca 0.03 -1.75 -0.02 0.00 0.00 0.00 0.00 60.65 58.92 1drs s ILE 33 Cb -0.01 -4.67 0.04 0.00 0.01 0.00 0.00 42.46 37.82 1drs s ILE 33 CO -0.07 -1.35 0.09 -0.60 0.00 0.00 0.00 174.94 173.01 1drs s ARG 34 N 2.04 -0.01 0.00 2.79 3.00 -1.04 -4.87 118.95 120.86 1drs s ARG 34 Ca 0.27 0.36 0.00 0.00 -1.00 0.00 0.00 55.73 55.36 1drs s ARG 34 Cb -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 34.95 34.55 1drs s ARG 34 CO -0.08 -0.25 0.00 2.89 0.00 0.00 0.00 175.30 177.87 1drs n ARG 35 N 4.77 0.00 -0.94 5.12 -4.01 -1.26 -4.51 116.66 115.82 1drs n ARG 35 Ca -0.15 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.66 1drs n ARG 35 Cb 0.50 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.92 1drs n ARG 35 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1drs n GLY 36 N 0.00 1.71 3.49 2.89 0.00 -1.12 -4.64 105.19 107.51 1drs n GLY 36 Ca 0.00 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 5.02 -2.08 4.41 0.00 0.00 -1.11 -5.00 105.19 106.43 1drs n GLY 38 Ca -0.14 0.68 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 2.68 -3.90 0.00 3.72 -1.26 -4.95 117.46 113.75 1drs n PHE 40 Ca 0.00 -2.81 -0.36 0.00 -0.05 0.00 0.00 57.45 54.23 1drs n PHE 40 Cb 0.00 -1.85 -0.06 0.00 -0.94 0.00 0.00 39.48 36.63 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 -0.74 5.45 0.22 4.37 -1.32 -1.26 -5.08 115.64 117.28 1drs s THR 41 Ca 0.49 0.13 -0.32 0.00 -1.21 0.00 0.00 61.69 60.78 1drs s THR 41 Cb 0.16 -3.40 -0.14 0.00 -1.51 0.00 0.00 72.50 67.60 1drs s THR 41 CO -0.06 0.57 1.34 -0.81 -2.21 0.00 0.00 174.62 173.45 1drs n PRO 42 N 1.80 1.79 -3.71 7.08 -0.04 -1.26 -4.99 135.00 135.66 1drs n PRO 42 Ca -0.18 0.64 -0.14 0.00 -0.04 0.00 0.00 63.50 63.77 1drs n PRO 42 Cb 0.55 -2.25 -0.08 0.00 -0.04 0.00 0.00 33.50 31.67 1drs n PRO 42 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1drs s ARG 43 N -0.37 0.73 0.00 0.54 1.70 -1.26 -4.80 118.95 115.48 1drs s ARG 43 Ca 0.70 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.92 1drs s ARG 43 Cb -0.71 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.00 1drs s ARG 43 CO 0.50 -0.20 0.00 0.41 -1.08 0.00 0.00 175.30 174.93 1drs n GLY 44 N 1.35 -0.55 1.62 3.88 0.00 -1.26 -4.82 105.19 105.40 1drs n GLY 44 Ca -0.20 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1drs n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1drs n ASP 45 N 0.00 3.56 -3.55 1.61 8.00 -1.26 -4.64 116.55 120.27 1drs n ASP 45 Ca 0.00 -2.84 -0.29 0.00 0.71 0.00 0.00 54.79 52.37 1drs n ASP 45 Cb 0.00 -0.68 -0.14 0.00 -0.02 0.00 0.00 41.12 40.28 1drs n ASP 45 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1drs s MET 46 N -1.99 0.38 -0.13 -1.24 -1.94 -1.26 -5.12 119.30 108.00 1drs s MET 46 Ca 0.34 -0.84 -0.29 0.00 -1.71 0.00 0.00 55.69 53.18 1drs s MET 46 Cb 0.27 -1.34 -0.04 0.00 2.01 0.00 0.00 34.83 35.73 1drs s MET 46 CO 0.07 -1.07 1.63 -2.14 -0.01 0.00 0.00 175.02 173.51 1drs s PRO 47 N 1.74 4.01 0.52 2.03 0.02 -1.26 -4.43 135.00 137.62 1drs s PRO 47 Ca 0.12 1.95 0.08 0.00 0.02 0.00 0.00 61.00 63.16 1drs s PRO 47 Cb -0.18 -4.00 0.05 0.00 0.02 0.00 0.00 34.50 30.39 1drs s PRO 47 CO -0.25 -1.04 0.58 0.20 -0.33 0.00 0.00 177.00 176.16 1drs s GLY 48 N 3.72 2.02 1.16 0.52 0.00 -1.26 -5.09 107.32 108.39 1drs s GLY 48 Ca 0.72 -1.78 -0.13 0.00 0.00 0.00 0.00 44.72 43.53 1drs s GLY 48 CO 0.28 -1.74 1.03 -4.14 0.00 0.00 0.00 173.10 168.53 1drs s PRO 49 N -4.42 -0.90 -0.12 2.90 0.02 -1.26 -5.06 135.00 126.15 1drs s PRO 49 Ca 0.50 0.76 -0.05 0.00 0.02 0.00 0.00 61.00 62.23 1drs s PRO 49 Cb -0.05 -1.56 -0.04 0.00 0.02 0.00 0.00 34.50 32.87 1drs s PRO 49 CO 0.31 -3.69 0.07 1.52 -0.33 0.00 0.00 177.00 174.88 1drs s TYR 50 N -2.51 3.34 0.24 6.54 1.13 -1.16 -4.96 117.35 119.96 1drs s TYR 50 Ca 0.68 0.28 0.11 0.00 -1.41 0.00 0.00 57.07 56.73 1drs s TYR 50 Cb -0.24 -1.92 -0.05 0.00 -1.10 0.00 0.00 41.96 38.65 1drs s TYR 50 CO 0.64 0.47 -0.20 0.00 -2.51 0.00 0.00 175.55 173.95 1drs n GLU 53 N 1.02 2.50 -3.89 0.00 0.00 -1.26 -1.79 120.64 117.22 1drs n GLU 53 Ca -0.19 -3.67 -0.17 0.00 0.00 0.00 0.00 57.16 53.12 1drs n GLU 53 Cb 0.55 -1.93 -0.06 0.00 0.00 0.00 0.00 31.44 29.99 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1drs n SER 54 N -0.94 -0.15 -4.56 -1.84 2.88 -1.26 -4.89 113.62 102.85 1drs n SER 54 Ca 0.32 -2.82 -0.41 0.00 -1.33 0.00 0.00 58.87 54.62 1drs n SER 54 Cb 0.83 1.26 -0.03 0.00 -0.75 0.00 0.00 64.21 65.52 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 -2.97 6.25 0.00 -3.46 2.15 -1.26 -4.32 116.67 113.06 1drs s ASP 55 Ca 0.29 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.07 1drs s ASP 55 Cb 0.01 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1drs s ASP 55 CO 0.21 -1.71 0.00 0.29 -0.17 0.00 0.00 175.17 173.78 1drs n LYS 56 N 9.00 0.00 0.00 4.34 4.01 -0.97 -4.73 118.16 129.81 1drs n LYS 56 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1drs n LYS 56 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 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 2.82 0.00 0.00 0.00 0.23 -1.26 -5.16 115.26 111.89 1drs n ASN 58 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1drs n ASN 58 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22