#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 5.02 0.05 5.15 1.09 -1.26 -1.39 121.20 129.86 1drs s ILE 2 Ca 0.00 1.06 0.03 0.00 -1.10 0.00 0.00 60.65 60.63 1drs s ILE 2 Cb 0.00 -3.90 -0.03 0.00 -1.06 0.00 0.00 42.46 37.47 1drs s ILE 2 CO 0.00 0.07 -0.09 0.00 -0.10 0.00 0.00 174.94 174.82 1drs s TYR 4 N -1.56 2.70 -0.47 0.00 1.51 -1.26 -2.15 117.35 116.13 1drs s TYR 4 Ca -0.07 1.06 0.06 0.00 -1.01 0.00 0.00 57.07 57.11 1drs s TYR 4 Cb -0.09 -3.21 0.29 0.00 -0.11 0.00 0.00 41.96 38.85 1drs s TYR 4 CO 0.00 -2.00 1.04 -1.71 -1.11 0.00 0.00 175.55 171.78 1drs n ASN 5 N -3.57 -2.54 -0.52 2.29 5.15 -0.98 -3.87 115.26 111.23 1drs n ASN 5 Ca 0.07 -3.54 0.00 0.00 -0.60 0.00 0.00 54.58 50.50 1drs n ASN 5 Cb 0.57 1.89 0.00 0.00 -0.53 0.00 0.00 39.78 41.71 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 0.82 -0.36 -2.99 1.20 8.25 -1.18 -4.47 115.22 116.49 1drs n HIS 6 Ca 0.07 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.58 1drs n HIS 6 Cb 0.68 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.77 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 -0.32 -4.50 117.00 119.36 1drs n LEU 7 Ca 0.00 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1drs n LEU 7 Cb 0.00 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1drs n LEU 7 CO 0.00 -1.17 0.00 0.61 -1.33 0.00 0.00 177.39 175.50 1drs n GLY 8 N -1.20 2.10 0.01 -0.72 0.00 -1.26 -3.24 105.19 100.89 1drs n GLY 8 Ca 0.00 -0.22 -0.02 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 0.17 -4.53 2.61 -1.04 -1.26 -5.04 114.28 105.19 1drs n THR 9 Ca 0.00 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 1drs n THR 9 Cb 0.00 -0.65 -0.17 0.00 -1.82 0.00 0.00 70.33 67.69 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 -2.06 2.27 0.05 -2.82 1.02 -1.20 -5.10 119.74 111.90 1drs s LYS 10 Ca -0.04 -0.58 0.25 0.00 0.02 0.00 0.00 55.97 55.62 1drs s LYS 10 Cb 0.01 -1.90 0.57 0.00 -0.52 0.00 0.00 37.83 35.99 1drs s LYS 10 CO 0.07 -0.04 1.47 -2.30 -0.92 0.00 0.00 175.35 173.64 1drs n PRO 11 N 4.12 0.11 0.12 -1.68 -0.02 -1.26 -1.18 135.00 135.20 1drs n PRO 11 Ca -0.19 0.04 0.12 0.00 -2.02 0.00 0.00 63.50 61.44 1drs n PRO 11 Cb 0.51 -1.57 0.06 0.00 -0.02 0.00 0.00 33.50 32.48 1drs n PRO 11 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1drs h PRO 12 N 0.00 0.00 -6.69 0.52 0.11 -1.96 -3.36 132.00 120.62 1drs h PRO 12 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 1drs h PRO 12 Cb 0.59 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.71 1drs h PRO 12 CO 0.00 0.00 0.52 0.95 -0.21 0.00 0.00 178.00 179.26 1drs s THR 13 N -3.31 3.64 -0.02 -1.15 -4.23 -1.26 -4.97 115.64 104.34 1drs s THR 13 Ca 0.02 1.43 0.03 0.00 -1.18 0.00 0.00 61.69 61.99 1drs s THR 13 Cb 0.09 -3.91 -0.00 0.00 1.34 0.00 0.00 72.50 70.02 1drs s THR 13 CO 0.76 0.25 -0.10 0.42 -0.54 0.00 0.00 174.62 175.41 1drs s THR 14 N -0.31 0.84 -0.24 3.99 -4.23 -1.26 -2.33 115.64 112.10 1drs s THR 14 Ca 0.50 -0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 1drs s THR 14 Cb -0.32 -0.73 0.04 0.00 1.34 0.00 0.00 72.50 72.83 1drs s THR 14 CO 0.37 0.25 -0.11 -0.70 -0.54 0.00 0.00 174.62 173.89 1drs s GLU 15 N 0.05 2.61 -0.36 3.99 2.56 -0.91 -4.95 118.70 121.69 1drs s GLU 15 Ca -0.01 -1.10 -0.27 0.00 0.00 0.00 0.00 54.97 53.59 1drs s GLU 15 Cb -0.07 -2.85 0.02 0.00 2.00 0.00 0.00 34.13 33.23 1drs s GLU 15 CO 0.00 -0.43 0.97 0.99 -0.56 0.00 0.00 175.26 176.23 1drs s THR 16 N 1.22 4.55 0.11 -1.70 2.01 -1.26 -2.31 115.64 118.26 1drs s THR 16 Ca -0.03 1.31 0.11 0.00 0.31 0.00 0.00 61.69 63.40 1drs s THR 16 Cb -0.17 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 67.94 1drs s THR 16 CO -0.07 -0.55 -0.27 0.00 -0.69 0.00 0.00 174.62 173.05 1drs n GLN 18 N 1.08 0.31 -2.64 0.00 0.00 -1.26 0.09 117.38 114.96 1drs n GLN 18 Ca -0.18 -0.04 -0.42 0.00 0.00 0.00 0.00 57.00 56.37 1drs n GLN 18 Cb 0.53 -1.57 -0.03 0.00 0.00 0.00 0.00 30.24 29.17 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 -3.22 4.53 0.00 2.61 0.41 -1.26 -4.83 118.70 116.94 1drs s GLU 19 Ca 0.02 1.51 0.00 0.00 -0.41 0.00 0.00 54.97 56.09 1drs s GLU 19 Cb 0.15 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 1drs s GLU 19 CO 0.83 -0.10 0.40 -0.25 -0.49 0.00 0.00 175.26 175.65 1drs n ASP 20 N 3.88 0.05 -3.66 -0.19 8.00 -1.26 -3.92 116.55 119.46 1drs n ASP 20 Ca 0.07 -0.84 -0.14 0.00 0.71 0.00 0.00 54.79 54.58 1drs n ASP 20 Cb 0.50 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 1drs n ASP 20 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1drs s SER 21 N -1.46 -0.35 0.06 -2.24 0.01 -1.26 -4.83 113.70 103.62 1drs s SER 21 Ca 0.00 0.21 -0.02 0.00 1.31 0.00 0.00 55.95 57.45 1drs s SER 21 Cb 0.00 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.61 1drs s SER 21 CO 0.00 -0.58 -0.00 0.00 0.41 0.00 0.00 173.24 173.06 1drs s TYR 23 N -3.93 1.95 -0.30 0.00 -0.85 -0.21 -1.33 117.35 112.68 1drs s TYR 23 Ca 0.08 -0.40 -0.03 0.00 -0.52 0.00 0.00 57.07 56.20 1drs s TYR 23 Cb 0.08 -1.08 0.04 0.00 0.38 0.00 0.00 41.96 41.38 1drs s TYR 23 CO -0.09 0.22 0.01 0.21 -1.52 0.00 0.00 175.55 174.38 1drs s LYS 24 N -1.83 2.59 -0.21 -3.49 2.47 -0.23 -2.60 119.74 116.44 1drs s LYS 24 Ca 0.09 -1.16 -0.01 0.00 -1.56 0.00 0.00 55.97 53.32 1drs s LYS 24 Cb -0.10 -3.20 0.02 0.00 -1.46 0.00 0.00 37.83 33.08 1drs s LYS 24 CO 0.04 -0.57 -0.11 1.21 0.16 0.00 0.00 175.35 176.08 1drs s ASN 25 N 1.31 3.84 0.00 1.43 2.47 -1.26 -2.52 114.94 120.21 1drs s ASN 25 Ca -0.03 -0.68 0.00 0.00 0.42 0.00 0.00 52.86 52.57 1drs s ASN 25 Cb -0.19 -1.61 0.00 0.00 -1.45 0.00 0.00 41.25 38.01 1drs s ASN 25 CO -0.01 -0.05 0.00 2.30 -3.72 0.00 0.00 177.10 175.62 1drs n ILE 26 N 4.67 0.00 0.00 -5.21 -0.00 -1.26 -2.37 119.36 115.20 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 0.49 -0.08 0.00 0.00 -0.00 0.00 0.00 39.64 40.05 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 -0.99 0.00 -0.49 4.28 2.14 -1.26 -3.72 117.44 117.41 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 0.11 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.60 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 -0.68 0.09 -1.67 5.66 -1.26 -1.10 114.28 115.31 1drs n THR 28 Ca 0.00 0.40 -0.01 0.00 -3.05 0.00 0.00 64.05 61.39 1drs n THR 28 Cb 0.00 -0.65 0.25 0.00 -1.55 0.00 0.00 70.33 68.37 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 -0.15 0.29 -0.01 1.09 0.04 -1.99 -2.69 116.94 113.52 1drs h PHE 29 Ca -0.03 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1drs h PHE 29 Cb 0.36 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1drs h PHE 29 CO 0.02 0.59 0.00 -0.40 -0.60 0.00 0.00 178.31 177.92 1drs n ASP 30 N -4.07 0.41 -2.54 2.17 5.68 -1.26 -4.99 116.55 111.95 1drs n ASP 30 Ca -0.01 -1.20 -0.01 0.00 -0.50 0.00 0.00 54.79 53.07 1drs n ASP 30 Cb 0.44 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1drs n ASP 30 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1drs n ASN 31 N -0.65 -5.76 -3.55 -1.12 3.02 -1.02 -5.03 115.26 101.16 1drs n ASN 31 Ca 0.21 -0.08 -0.09 0.00 -0.03 0.00 0.00 54.58 54.59 1drs n ASN 31 Cb 0.17 -3.82 -0.02 0.00 -0.61 0.00 0.00 39.78 35.50 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 -3.02 0.00 -0.65 2.41 1.10 -0.26 -5.04 121.20 115.75 1drs s ILE 32 Ca 0.03 -0.24 -0.18 0.00 -0.51 0.00 0.00 60.65 59.75 1drs s ILE 32 Cb -0.00 -1.27 0.12 0.00 0.15 0.00 0.00 42.46 41.46 1drs s ILE 32 CO 0.49 0.00 0.75 -0.63 -2.11 0.00 0.00 174.94 173.44 1drs s ILE 33 N -3.58 4.88 -0.12 2.00 1.01 -1.26 -4.10 121.20 120.03 1drs s ILE 33 Ca 0.05 -1.19 -0.04 0.00 0.00 0.00 0.00 60.65 59.47 1drs s ILE 33 Cb -0.02 -4.52 0.05 0.00 0.01 0.00 0.00 42.46 37.99 1drs s ILE 33 CO -0.07 -1.16 0.11 -0.60 0.00 0.00 0.00 174.94 173.22 1drs s ARG 34 N 2.45 0.02 0.00 2.79 3.52 -1.00 -4.67 118.95 122.06 1drs s ARG 34 Ca 0.14 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.95 1drs s ARG 34 Cb -0.21 -1.06 0.00 0.00 -1.56 0.00 0.00 34.95 32.12 1drs s ARG 34 CO 0.03 -0.49 0.00 2.89 -0.81 0.00 0.00 175.30 176.92 1drs n ARG 35 N 5.30 0.00 -3.07 5.12 -4.01 -1.26 -4.49 116.66 114.24 1drs n ARG 35 Ca -0.05 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.76 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 -0.84 3.57 2.89 0.00 -1.07 -4.15 105.19 105.59 1drs n GLY 36 Ca 0.00 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 4.72 -2.01 7.00 0.00 0.00 -1.04 -4.97 105.19 108.89 1drs n GLY 38 Ca 0.04 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 -1.83 -3.78 0.00 3.72 -1.26 -4.94 117.46 109.37 1drs n PHE 40 Ca 0.00 0.65 -0.35 0.00 -0.05 0.00 0.00 57.45 57.70 1drs n PHE 40 Cb 0.00 -3.77 -0.11 0.00 -0.94 0.00 0.00 39.48 34.66 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 -3.69 3.38 -1.28 4.37 -1.32 -1.26 -4.99 115.64 110.85 1drs s THR 41 Ca 0.20 -2.70 -0.06 0.00 -1.21 0.00 0.00 61.69 57.92 1drs s THR 41 Cb -0.07 -3.26 0.15 0.00 -1.51 0.00 0.00 72.50 67.81 1drs s THR 41 CO 0.86 -0.80 2.21 -0.81 -2.21 0.00 0.00 174.62 173.87 1drs n PRO 42 N 3.82 4.46 -3.93 7.08 -0.04 -1.26 -4.88 135.00 140.25 1drs n PRO 42 Ca 0.04 -3.61 -0.30 0.00 -0.04 0.00 0.00 63.50 59.59 1drs n PRO 42 Cb 0.38 -2.67 -0.16 0.00 -0.04 0.00 0.00 33.50 31.01 1drs n PRO 42 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1drs s ARG 43 N -1.15 1.58 -0.13 0.54 6.06 -1.26 -5.02 118.95 119.56 1drs s ARG 43 Ca 0.49 -0.92 0.15 0.00 -2.50 0.00 0.00 55.73 52.95 1drs s ARG 43 Cb 0.16 -2.52 -0.22 0.00 0.06 0.00 0.00 34.95 32.43 1drs s ARG 43 CO -0.07 -0.58 0.13 0.41 -2.50 0.00 0.00 175.30 172.69 1drs n GLY 44 N 4.70 -0.81 0.71 8.12 0.00 -1.26 -4.28 105.19 112.37 1drs n GLY 44 Ca -0.12 -0.31 0.01 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 -2.51 1.73 -3.13 1.61 5.68 -1.26 -4.30 116.55 114.38 1drs n ASP 45 Ca -0.22 -2.15 0.04 0.00 -0.50 0.00 0.00 54.79 51.97 1drs n ASP 45 Cb 0.91 -0.51 -0.00 0.00 -1.14 0.00 0.00 41.12 40.39 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 -1.33 0.38 -0.04 0.11 0.00 -1.26 -5.15 119.30 112.02 1drs s MET 46 Ca 0.09 0.26 -0.30 0.00 0.00 0.00 0.00 55.69 55.74 1drs s MET 46 Cb 0.07 0.14 -0.04 0.00 0.00 0.00 0.00 34.83 35.00 1drs s MET 46 CO 0.03 -0.68 1.28 -2.14 0.00 0.00 0.00 175.02 173.51 1drs s PRO 47 N 2.73 4.31 1.13 4.11 0.02 -1.26 -4.81 135.00 141.23 1drs s PRO 47 Ca 0.18 1.79 -0.19 0.00 0.02 0.00 0.00 61.00 62.80 1drs s PRO 47 Cb -0.05 -3.58 0.26 0.00 0.02 0.00 0.00 34.50 31.15 1drs s PRO 47 CO -0.22 -0.52 1.20 0.20 -0.33 0.00 0.00 177.00 177.33 1drs s GLY 48 N 1.69 1.67 0.80 0.52 0.00 -1.26 -5.03 107.32 105.71 1drs s GLY 48 Ca 0.59 -1.10 -0.13 0.00 0.00 0.00 0.00 44.72 44.08 1drs s GLY 48 CO 0.23 -0.23 1.19 2.56 0.00 0.00 0.00 173.10 176.85 1drs s PRO 49 N -5.63 1.69 0.44 2.90 0.04 -1.26 -4.98 135.00 128.20 1drs s PRO 49 Ca 0.73 1.71 -0.22 0.00 0.04 0.00 0.00 61.00 63.25 1drs s PRO 49 Cb -0.07 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 1drs s PRO 49 CO 0.55 -2.17 1.06 1.52 0.04 0.00 0.00 177.00 178.00 1drs s TYR 50 N -2.20 3.11 0.21 0.56 -0.85 -1.05 -4.83 117.35 112.29 1drs s TYR 50 Ca 0.72 1.60 0.11 0.00 -0.52 0.00 0.00 57.07 58.98 1drs s TYR 50 Cb -0.28 -3.14 -0.04 0.00 0.38 0.00 0.00 41.96 38.88 1drs s TYR 50 CO 0.50 -0.82 -0.18 0.00 -1.52 0.00 0.00 175.55 173.53 1drs n GLU 53 N -0.37 1.32 -4.30 0.00 0.28 -1.26 -2.23 120.64 114.09 1drs n GLU 53 Ca -0.02 -2.73 -0.17 0.00 -0.16 0.00 0.00 57.16 54.07 1drs n GLU 53 Cb 0.65 -0.85 -0.09 0.00 1.43 0.00 0.00 31.44 32.58 1drs n GLU 53 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1drs s SER 54 N -2.60 1.26 0.05 -1.84 1.04 -1.26 -5.01 113.70 105.33 1drs s SER 54 Ca 0.24 -1.55 -0.31 0.00 0.48 0.00 0.00 55.95 54.81 1drs s SER 54 Cb 0.41 0.40 -0.06 0.00 0.10 0.00 0.00 66.02 66.88 1drs s SER 54 CO -0.03 -0.90 1.22 -0.62 0.98 0.00 0.00 173.24 173.89 1drs s ASP 55 N -3.33 7.05 0.00 7.02 2.15 -1.26 -4.32 116.67 123.98 1drs s ASP 55 Ca 0.37 2.02 0.00 0.00 0.43 0.00 0.00 52.55 55.37 1drs s ASP 55 Cb 0.05 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1drs s ASP 55 CO 0.18 -0.50 0.00 0.29 -0.17 0.00 0.00 175.17 174.97 1drs n LYS 56 N 4.10 0.00 -2.73 4.34 4.76 -0.67 -4.54 118.16 123.43 1drs n LYS 56 Ca 0.09 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.47 1drs n LYS 56 Cb 0.46 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.67 1drs n LYS 56 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1drs n ASN 58 N 0.33 -7.26 0.00 0.00 6.94 -1.26 -5.10 115.26 108.91 1drs n ASN 58 Ca -0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.35 1drs n ASN 58 Cb 0.52 -4.63 0.00 0.00 -2.36 0.00 0.00 39.78 33.31 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12