#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 0.01 5.15 1.01 -1.26 -2.44 121.20 128.82 1drs s ILE 2 Ca 0.00 0.95 -0.01 0.00 0.00 0.00 0.00 60.65 61.58 1drs s ILE 2 Cb 0.00 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1drs s ILE 2 CO 0.00 0.26 0.01 0.00 0.00 0.00 0.00 174.94 175.21 1drs s TYR 4 N -1.06 3.33 0.00 0.00 2.02 -1.26 -1.85 117.35 118.53 1drs s TYR 4 Ca -0.12 1.41 0.00 0.00 -0.37 0.00 0.00 57.07 57.99 1drs s TYR 4 Cb -0.07 -2.83 0.00 0.00 -0.40 0.00 0.00 41.96 38.66 1drs s TYR 4 CO -0.00 -0.82 0.57 0.27 -1.57 0.00 0.00 175.55 173.99 1drs n ASN 5 N -2.42 0.78 -3.44 2.29 0.23 -1.05 -3.38 115.26 108.27 1drs n ASN 5 Ca 0.07 -1.32 0.00 0.00 -0.53 0.00 0.00 54.58 52.80 1drs n ASN 5 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1drs n HIS 6 N -0.16 -0.40 -0.64 -2.53 8.25 -1.05 -4.71 115.22 113.98 1drs n HIS 6 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1drs n HIS 6 Cb 0.31 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.32 0.00 2.41 4.32 -1.14 -4.62 117.00 117.65 1drs n LEU 7 Ca 0.00 0.71 0.00 0.00 -0.02 0.00 0.00 56.01 56.70 1drs n LEU 7 Cb 0.00 -1.95 0.00 0.00 -1.62 0.00 0.00 43.42 39.85 1drs n LEU 7 CO 0.00 -1.71 0.00 0.61 -1.22 0.00 0.00 177.39 175.07 1drs n GLY 8 N -2.52 1.83 0.71 -0.72 0.00 -1.26 -3.46 105.19 99.77 1drs n GLY 8 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.00 2.61 -1.04 -1.26 -5.08 114.28 106.51 1drs n THR 9 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 1drs n THR 9 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1drs n THR 9 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1drs s LYS 10 N -2.00 4.46 0.71 -2.82 2.36 -1.23 -5.04 119.74 116.18 1drs s LYS 10 Ca 0.00 1.07 -0.16 0.00 -2.55 0.00 0.00 55.97 54.33 1drs s LYS 10 Cb 0.00 -3.08 -0.01 0.00 -1.05 0.00 0.00 37.83 33.68 1drs s LYS 10 CO 0.00 0.48 0.83 -2.30 1.55 0.00 0.00 175.35 175.91 1drs n PRO 11 N 1.20 0.48 -1.52 4.03 -0.02 -1.26 -2.86 135.00 135.04 1drs n PRO 11 Ca -0.04 0.21 -0.48 0.00 -2.02 0.00 0.00 63.50 61.17 1drs n PRO 11 Cb 0.50 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.42 0.77 -3.64 0.52 -0.02 -1.26 -4.71 135.00 125.25 1drs n PRO 12 Ca 0.12 0.27 -0.04 0.00 -2.02 0.00 0.00 63.50 61.84 1drs n PRO 12 Cb 0.49 -1.57 -0.05 0.00 -0.02 0.00 0.00 33.50 32.35 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 -0.72 -0.52 0.04 3.45 -4.23 -1.26 -4.98 115.64 107.42 1drs s THR 13 Ca 0.67 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.26 1drs s THR 13 Cb -0.86 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.95 1drs s THR 13 CO 0.56 0.00 -0.24 0.42 -0.54 0.00 0.00 174.62 174.83 1drs s THR 14 N 2.30 1.92 -0.54 3.99 -4.23 -1.26 -2.53 115.64 115.29 1drs s THR 14 Ca -0.08 -1.30 -0.17 0.00 -1.18 0.00 0.00 61.69 58.96 1drs s THR 14 Cb -0.09 -1.66 0.10 0.00 1.34 0.00 0.00 72.50 72.20 1drs s THR 14 CO -0.19 0.30 0.57 -0.70 -0.54 0.00 0.00 174.62 174.05 1drs s GLU 15 N -1.21 3.03 -0.56 3.99 2.56 -0.77 -4.91 118.70 120.83 1drs s GLU 15 Ca 0.10 -1.37 -0.28 0.00 0.00 0.00 0.00 54.97 53.42 1drs s GLU 15 Cb -0.09 -4.22 0.02 0.00 2.00 0.00 0.00 34.13 31.84 1drs s GLU 15 CO 0.02 -1.32 1.31 0.99 -0.56 0.00 0.00 175.26 175.70 1drs s THR 16 N 2.15 3.91 0.12 -1.70 2.01 -1.26 -2.57 115.64 118.29 1drs s THR 16 Ca 0.08 0.80 0.09 0.00 0.31 0.00 0.00 61.69 62.98 1drs s THR 16 Cb -0.25 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 1drs s THR 16 CO 0.06 -1.22 -0.19 0.00 -0.69 0.00 0.00 174.62 172.58 1drs h GLN 18 N 3.71 0.17 -6.64 0.00 4.20 -1.94 0.72 115.11 115.33 1drs h GLN 18 Ca -0.50 -0.12 -0.52 0.00 0.06 0.00 0.00 58.65 57.57 1drs h GLN 18 Cb 1.17 0.02 0.05 0.00 0.30 0.00 0.00 27.48 29.02 1drs h GLN 18 CO 0.45 0.74 0.98 -1.21 -0.67 0.00 0.00 178.83 179.13 1drs s GLU 19 N -3.67 4.15 0.31 1.46 8.01 -1.26 -4.16 118.70 123.53 1drs s GLU 19 Ca -0.03 2.54 0.07 0.00 0.01 0.00 0.00 54.97 57.55 1drs s GLU 19 Cb 0.12 -3.12 0.76 0.00 -4.31 0.00 0.00 34.13 27.58 1drs s GLU 19 CO 0.79 -0.72 1.77 -0.44 0.01 0.00 0.00 175.26 176.68 1drs h ASP 20 N 6.90 0.77 -3.90 -0.19 5.19 -1.88 0.74 116.42 124.05 1drs h ASP 20 Ca -0.43 0.10 -0.68 0.00 -0.62 0.00 0.00 57.03 55.40 1drs h ASP 20 Cb 1.20 -0.04 -0.29 0.00 0.18 0.00 0.00 39.33 40.39 1drs h ASP 20 CO 0.95 0.26 -0.84 -0.55 -3.12 0.00 0.00 179.24 175.94 1drs s SER 21 N -5.40 3.46 0.02 6.45 0.15 -1.26 -4.55 113.70 112.57 1drs s SER 21 Ca -0.11 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1drs s SER 21 Cb 0.25 -0.98 -0.01 0.00 -1.71 0.00 0.00 66.02 63.57 1drs s SER 21 CO 0.80 0.25 -0.03 0.00 1.20 0.00 0.00 173.24 175.47 1drs s TYR 23 N -0.91 2.15 -0.14 0.00 -0.85 -0.41 -1.95 117.35 115.25 1drs s TYR 23 Ca -0.09 -0.61 -0.02 0.00 -0.52 0.00 0.00 57.07 55.83 1drs s TYR 23 Cb -0.06 -1.23 -0.02 0.00 0.38 0.00 0.00 41.96 41.03 1drs s TYR 23 CO -0.00 0.41 -0.09 0.15 -1.52 0.00 0.00 175.55 174.50 1drs s LYS 24 N -3.68 3.49 -0.15 -3.49 1.02 -0.26 -2.82 119.74 113.84 1drs s LYS 24 Ca 0.31 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1drs s LYS 24 Cb 0.03 -2.75 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1drs s LYS 24 CO 0.14 0.24 -0.11 1.21 -0.92 0.00 0.00 175.35 175.91 1drs s ASN 25 N 0.32 2.71 0.00 2.83 2.47 -1.26 -2.07 114.94 119.93 1drs s ASN 25 Ca -0.07 -0.53 0.00 0.00 0.42 0.00 0.00 52.86 52.68 1drs s ASN 25 Cb -0.15 -1.10 0.00 0.00 -1.45 0.00 0.00 41.25 38.55 1drs s ASN 25 CO 0.04 -0.09 0.00 2.30 -3.72 0.00 0.00 177.10 175.63 1drs n ILE 26 N 4.80 0.00 0.00 -5.21 -0.00 -1.26 -2.20 119.36 115.49 1drs n ILE 26 Ca -0.15 -0.07 0.00 0.00 -0.00 0.00 0.00 62.75 62.52 1drs n ILE 26 Cb 0.49 0.66 0.00 0.00 -0.00 0.00 0.00 39.64 40.79 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 -0.29 0.00 -0.20 4.28 2.14 -1.26 -4.11 117.44 118.00 1drs n TRP 27 Ca 0.00 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.59 1drs n TRP 27 Cb 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.49 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 -0.12 -0.07 -1.67 5.66 -1.26 -1.64 114.28 115.18 1drs n THR 28 Ca 0.00 0.13 -0.13 0.00 -3.05 0.00 0.00 64.05 61.00 1drs n THR 28 Cb 0.00 -0.19 -0.06 0.00 -1.55 0.00 0.00 70.33 68.53 1drs n THR 28 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1drs h PHE 29 N -0.20 0.49 0.00 1.09 3.57 -2.00 -3.00 116.94 116.89 1drs h PHE 29 Ca -0.03 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1drs h PHE 29 Cb 0.19 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1drs h PHE 29 CO 0.01 0.75 0.00 -0.40 -2.23 0.00 0.00 178.31 176.43 1drs n ASP 30 N -4.54 0.00 -2.59 0.41 5.75 -1.26 -4.95 116.55 109.37 1drs n ASP 30 Ca -0.05 0.22 -0.01 0.00 -0.01 0.00 0.00 54.79 54.94 1drs n ASP 30 Cb 0.35 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.33 -6.13 -3.51 -1.12 3.02 -1.13 -5.02 115.26 100.03 1drs n ASN 31 Ca 0.04 -0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.49 1drs n ASN 31 Cb 0.09 -4.07 -0.02 0.00 -0.61 0.00 0.00 39.78 35.17 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 -2.91 0.00 -0.65 2.41 1.10 -0.65 -5.04 121.20 115.45 1drs s ILE 32 Ca 0.02 -0.13 -0.17 0.00 -0.51 0.00 0.00 60.65 59.87 1drs s ILE 32 Cb -0.01 -1.15 0.14 0.00 0.15 0.00 0.00 42.46 41.60 1drs s ILE 32 CO 0.53 0.00 0.68 -0.63 -2.11 0.00 0.00 174.94 173.41 1drs s ILE 33 N -3.49 5.15 -0.13 2.00 1.01 -1.26 -3.99 121.20 120.49 1drs s ILE 33 Ca 0.04 -1.57 -0.04 0.00 0.00 0.00 0.00 60.65 59.08 1drs s ILE 33 Cb -0.01 -4.45 0.05 0.00 0.01 0.00 0.00 42.46 38.06 1drs s ILE 33 CO -0.09 -1.04 0.09 -0.60 0.00 0.00 0.00 174.94 173.30 1drs s ARG 34 N 1.69 0.02 0.00 2.79 3.52 -0.94 -4.79 118.95 121.24 1drs s ARG 34 Ca 0.11 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 1drs s ARG 34 Cb -0.22 -1.41 0.00 0.00 -1.56 0.00 0.00 34.95 31.76 1drs s ARG 34 CO 0.00 -0.57 0.00 2.89 -0.81 0.00 0.00 175.30 176.82 1drs n ARG 35 N 5.29 0.00 -2.58 5.12 -4.01 -1.22 -4.51 116.66 114.75 1drs n ARG 35 Ca -0.06 0.00 0.01 0.00 -1.04 0.00 0.00 57.85 56.76 1drs n ARG 35 Cb 0.49 0.00 0.01 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 0.59 3.67 2.89 0.00 -1.13 -4.23 105.19 106.98 1drs n GLY 36 Ca 0.00 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 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 4.09 -1.51 7.00 0.00 0.00 -1.09 -4.98 105.19 108.70 1drs n GLY 38 Ca -0.14 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.04 -2.36 -3.96 0.00 3.72 -1.26 -4.99 117.46 108.56 1drs n PHE 40 Ca 0.00 0.74 -0.34 0.00 -0.05 0.00 0.00 57.45 57.80 1drs n PHE 40 Cb 0.00 -4.66 -0.14 0.00 -0.94 0.00 0.00 39.48 33.74 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 -3.24 2.75 -1.19 4.37 -1.32 -1.26 -5.05 115.64 110.70 1drs s THR 41 Ca 0.44 -1.42 -0.19 0.00 -1.21 0.00 0.00 61.69 59.32 1drs s THR 41 Cb -0.20 -2.57 0.08 0.00 -1.51 0.00 0.00 72.50 68.30 1drs s THR 41 CO 0.55 -0.06 1.59 -2.16 -2.21 0.00 0.00 174.62 172.33 1drs s PRO 42 N 1.22 3.88 -0.04 7.08 0.04 -1.26 -4.97 135.00 140.94 1drs s PRO 42 Ca -0.06 -1.84 -0.25 0.00 0.04 0.00 0.00 61.00 58.89 1drs s PRO 42 Cb -0.20 -5.39 -0.04 0.00 0.04 0.00 0.00 34.50 28.92 1drs s PRO 42 CO -0.02 -2.15 0.78 -0.98 0.04 0.00 0.00 177.00 174.67 1drs s ARG 43 N 3.96 4.47 0.00 4.56 1.04 -1.26 -4.97 118.95 126.76 1drs s ARG 43 Ca 0.49 1.04 0.00 0.00 -1.04 0.00 0.00 55.73 56.22 1drs s ARG 43 Cb 0.02 -3.45 0.00 0.00 -2.04 0.00 0.00 34.95 29.48 1drs s ARG 43 CO 0.01 0.04 0.00 0.41 -0.04 0.00 0.00 175.30 175.72 1drs n GLY 44 N 3.02 0.91 2.35 3.88 0.00 -1.26 -4.88 105.19 109.20 1drs n GLY 44 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.93 1.35 -4.52 1.61 2.03 -1.26 -5.13 116.55 109.70 1drs n ASP 45 Ca 0.00 -2.01 -0.29 0.00 0.52 0.00 0.00 54.79 53.01 1drs n ASP 45 Cb 0.00 -0.41 0.18 0.00 -0.72 0.00 0.00 41.12 40.17 1drs n ASP 45 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1drs s MET 46 N -2.41 0.29 -0.22 -0.67 -1.94 -1.26 -4.94 119.30 108.15 1drs s MET 46 Ca 0.29 0.28 -0.28 0.00 -1.71 0.00 0.00 55.69 54.27 1drs s MET 46 Cb 0.35 -1.74 -0.05 0.00 2.01 0.00 0.00 34.83 35.40 1drs s MET 46 CO -0.09 -2.77 2.09 -2.14 -0.01 0.00 0.00 175.02 172.10 1drs s PRO 47 N -5.19 3.29 -0.25 2.03 0.02 -1.26 -4.88 135.00 128.75 1drs s PRO 47 Ca 0.66 1.95 -0.33 0.00 0.02 0.00 0.00 61.00 63.30 1drs s PRO 47 Cb -0.15 -4.31 0.16 0.00 0.02 0.00 0.00 34.50 30.23 1drs s PRO 47 CO 0.56 -1.92 1.30 0.20 -0.33 0.00 0.00 177.00 176.81 1drs s GLY 48 N 7.35 -0.12 0.85 0.52 0.00 -1.26 -5.07 107.32 109.59 1drs s GLY 48 Ca 0.94 2.20 -0.14 0.00 0.00 0.00 0.00 44.72 47.72 1drs s GLY 48 CO 0.35 0.82 0.97 -1.55 0.00 0.00 0.00 173.10 173.69 1drs n PRO 49 N 0.22 -1.68 -4.17 2.90 -0.04 -1.26 -5.08 135.00 125.90 1drs n PRO 49 Ca 0.01 -1.52 -0.34 0.00 -0.04 0.00 0.00 63.50 61.60 1drs n PRO 49 Cb 0.58 -1.16 -0.13 0.00 -0.04 0.00 0.00 33.50 32.75 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 -3.00 3.01 0.21 0.54 -0.85 -0.88 -4.94 117.35 111.44 1drs s TYR 50 Ca 0.58 -0.51 0.10 0.00 -0.52 0.00 0.00 57.07 56.72 1drs s TYR 50 Cb -0.03 -2.04 -0.04 0.00 0.38 0.00 0.00 41.96 40.22 1drs s TYR 50 CO 0.42 -0.24 -0.09 0.00 -1.52 0.00 0.00 175.55 174.12 1drs n GLU 53 N -0.64 2.94 -3.93 0.00 0.28 -1.26 -2.06 120.64 115.97 1drs n GLU 53 Ca -0.05 -4.08 -0.09 0.00 -0.16 0.00 0.00 57.16 52.78 1drs n GLU 53 Cb 0.64 -2.03 -0.02 0.00 1.43 0.00 0.00 31.44 31.45 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 -3.54 0.02 -0.31 -1.84 0.15 -1.26 -4.97 113.70 101.95 1drs s SER 54 Ca 0.43 -0.96 -0.29 0.00 0.70 0.00 0.00 55.95 55.84 1drs s SER 54 Cb 0.40 0.70 -0.01 0.00 -1.71 0.00 0.00 66.02 65.40 1drs s SER 54 CO -0.06 -1.34 1.63 -0.62 1.20 0.00 0.00 173.24 174.04 1drs s ASP 55 N -3.03 6.19 0.00 5.45 2.15 -1.26 -4.20 116.67 121.97 1drs s ASP 55 Ca 0.19 1.29 0.00 0.00 0.43 0.00 0.00 52.55 54.46 1drs s ASP 55 Cb -0.03 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1drs s ASP 55 CO 0.10 -1.47 0.00 0.29 -0.17 0.00 0.00 175.17 173.93 1drs n LYS 56 N 8.05 0.00 -3.22 4.34 4.01 -1.13 -4.64 118.16 125.57 1drs n LYS 56 Ca 0.20 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.85 1drs n LYS 56 Cb 0.46 0.00 0.07 0.00 -0.51 0.00 0.00 35.03 35.05 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 -3.20 -4.08 0.00 0.00 3.02 -1.26 -5.09 115.26 104.64 1drs n ASN 58 Ca -0.07 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1drs n ASN 58 Cb 0.62 -2.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.25 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53