#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 4.70 0.10 5.15 1.01 -1.26 -2.46 121.20 128.45 1drs s ILE 2 Ca 0.00 1.45 -0.01 0.00 0.00 0.00 0.00 60.65 62.09 1drs s ILE 2 Cb 0.00 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1drs s ILE 2 CO 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 174.94 174.68 1drs s TYR 4 N -4.00 3.07 -0.37 0.00 1.51 -1.26 -0.61 117.35 115.69 1drs s TYR 4 Ca 0.18 1.55 0.13 0.00 -1.01 0.00 0.00 57.07 57.91 1drs s TYR 4 Cb 0.07 -3.00 0.38 0.00 -0.11 0.00 0.00 41.96 39.31 1drs s TYR 4 CO -0.03 -0.78 0.92 -1.71 -1.11 0.00 0.00 175.55 172.84 1drs n ASN 5 N -1.28 0.24 -3.70 2.29 2.85 -0.94 -3.70 115.26 111.02 1drs n ASN 5 Ca 0.09 -2.98 -0.11 0.00 -0.11 0.00 0.00 54.58 51.46 1drs n ASN 5 Cb 0.53 -0.03 0.04 0.00 1.24 0.00 0.00 39.78 41.56 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1drs n HIS 6 N 0.11 -2.62 -0.77 1.20 8.25 -1.18 -4.62 115.22 115.59 1drs n HIS 6 Ca 0.15 -1.22 0.10 0.00 -0.26 0.00 0.00 57.72 56.49 1drs n HIS 6 Cb 0.73 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.41 -3.14 2.41 4.32 -0.32 -4.36 117.00 115.51 1drs n LEU 7 Ca 0.10 0.91 -0.14 0.00 -0.02 0.00 0.00 56.01 56.86 1drs n LEU 7 Cb 0.35 -2.38 0.07 0.00 -1.62 0.00 0.00 43.42 39.83 1drs n LEU 7 CO 0.23 -1.92 0.04 0.61 -1.22 0.00 0.00 177.39 175.12 1drs n GLY 8 N -2.98 -0.92 0.00 -0.72 0.00 -1.26 -4.00 105.19 95.31 1drs n GLY 8 Ca -0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.21 0.00 -3.72 2.61 -1.04 -1.26 -5.07 114.28 102.60 1drs n THR 9 Ca -0.09 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.78 1drs n THR 9 Cb 0.62 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.00 0.10 0.00 -2.82 -0.14 -1.26 -5.10 119.74 110.53 1drs s LYS 10 Ca 0.00 0.48 0.19 0.00 -1.36 0.00 0.00 55.97 55.28 1drs s LYS 10 Cb 0.00 -0.18 0.74 0.00 -1.68 0.00 0.00 37.83 36.71 1drs s LYS 10 CO 0.00 -0.21 1.53 -0.35 -0.76 0.00 0.00 175.35 175.56 1drs n PRO 11 N 4.58 1.62 0.10 -1.68 -0.04 -1.26 -1.17 135.00 137.15 1drs n PRO 11 Ca -0.19 -0.94 0.02 0.00 -0.04 0.00 0.00 63.50 62.35 1drs n PRO 11 Cb 0.51 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 1drs n PRO 11 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1drs h PRO 12 N 1.84 0.00 -6.37 0.54 0.11 -1.97 -3.42 132.00 122.73 1drs h PRO 12 Ca 0.00 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.56 1drs h PRO 12 Cb 0.41 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1drs h PRO 12 CO 0.00 0.40 -0.16 0.95 -0.21 0.00 0.00 178.00 178.99 1drs s THR 13 N -2.97 4.98 -0.02 -1.15 -4.23 -1.26 -5.03 115.64 105.96 1drs s THR 13 Ca 0.01 0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.97 1drs s THR 13 Cb 0.08 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.29 1drs s THR 13 CO 0.77 -0.02 -0.14 0.42 -0.54 0.00 0.00 174.62 175.12 1drs s THR 14 N -1.75 1.10 -0.33 3.99 -4.23 -1.26 -2.21 115.64 110.95 1drs s THR 14 Ca 0.45 -0.57 -0.14 0.00 -1.18 0.00 0.00 61.69 60.25 1drs s THR 14 Cb -0.12 -0.94 -0.02 0.00 1.34 0.00 0.00 72.50 72.77 1drs s THR 14 CO 0.22 0.32 0.31 -0.70 -0.54 0.00 0.00 174.62 174.22 1drs s GLU 15 N -0.12 3.63 -0.75 3.99 2.56 0.22 -4.92 118.70 123.31 1drs s GLU 15 Ca 0.01 -0.43 -0.26 0.00 0.00 0.00 0.00 54.97 54.29 1drs s GLU 15 Cb -0.07 -3.77 0.02 0.00 2.00 0.00 0.00 34.13 32.30 1drs s GLU 15 CO 0.00 -0.44 1.48 0.99 -0.56 0.00 0.00 175.26 176.73 1drs s THR 16 N 1.91 3.64 0.14 -1.70 2.01 -1.26 -2.54 115.64 117.84 1drs s THR 16 Ca 0.10 0.19 0.10 0.00 0.31 0.00 0.00 61.69 62.40 1drs s THR 16 Cb -0.17 -4.65 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 1drs s THR 16 CO 0.11 -1.59 -0.23 0.00 -0.69 0.00 0.00 174.62 172.23 1drs n GLN 18 N 0.69 4.88 -3.51 0.00 7.27 -1.26 0.53 117.38 125.98 1drs n GLN 18 Ca -0.16 -4.65 -0.16 0.00 0.07 0.00 0.00 57.00 52.10 1drs n GLN 18 Cb 0.54 -2.46 -0.13 0.00 2.41 0.00 0.00 30.24 30.60 1drs n GLN 18 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1drs s GLU 19 N -3.71 0.19 0.00 3.69 0.41 -1.26 -4.93 118.70 113.09 1drs s GLU 19 Ca 0.37 0.34 0.01 0.00 -0.41 0.00 0.00 54.97 55.28 1drs s GLU 19 Cb 0.15 -0.91 0.09 0.00 -1.78 0.00 0.00 34.13 31.67 1drs s GLU 19 CO -0.05 -0.58 0.40 -0.25 -0.49 0.00 0.00 175.26 174.29 1drs n ASP 20 N 5.33 0.00 -3.46 -0.19 9.92 -1.26 -1.01 116.55 125.87 1drs n ASP 20 Ca -0.05 -0.11 -0.13 0.00 -0.53 0.00 0.00 54.79 53.97 1drs n ASP 20 Cb 0.50 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.94 1drs n ASP 20 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1drs s SER 21 N -1.97 -0.55 -0.01 -2.24 0.15 -1.26 -4.81 113.70 103.01 1drs s SER 21 Ca 0.02 0.13 -0.15 0.00 0.70 0.00 0.00 55.95 56.65 1drs s SER 21 Cb 0.01 0.57 0.02 0.00 -1.71 0.00 0.00 66.02 64.91 1drs s SER 21 CO 0.02 -0.88 0.31 0.00 1.20 0.00 0.00 173.24 173.89 1drs s TYR 23 N -1.42 2.42 -0.34 0.00 -0.85 -0.77 -1.24 117.35 115.15 1drs s TYR 23 Ca -0.13 -0.32 -0.13 0.00 -0.52 0.00 0.00 57.07 55.97 1drs s TYR 23 Cb -0.05 -1.30 -0.02 0.00 0.38 0.00 0.00 41.96 40.97 1drs s TYR 23 CO 0.04 0.36 0.24 0.15 -1.52 0.00 0.00 175.55 174.81 1drs s LYS 24 N -2.10 3.52 -0.25 -3.49 1.02 -0.14 -2.77 119.74 115.53 1drs s LYS 24 Ca 0.16 -0.63 -0.03 0.00 0.02 0.00 0.00 55.97 55.49 1drs s LYS 24 Cb -0.10 -3.79 0.02 0.00 -0.52 0.00 0.00 37.83 33.43 1drs s LYS 24 CO 0.08 -0.43 -0.03 1.21 -0.92 0.00 0.00 175.35 175.26 1drs s ASN 25 N 1.72 4.48 -0.31 2.83 2.47 -1.26 -3.15 114.94 121.72 1drs s ASN 25 Ca 0.06 -0.76 0.13 0.00 0.42 0.00 0.00 52.86 52.71 1drs s ASN 25 Cb -0.17 -1.72 0.47 0.00 -1.45 0.00 0.00 41.25 38.37 1drs s ASN 25 CO 0.10 -0.12 1.13 2.30 -3.72 0.00 0.00 177.10 176.79 1drs n ILE 26 N 4.73 1.97 0.00 -5.21 -0.00 -1.26 -2.38 119.36 117.22 1drs n ILE 26 Ca -0.16 -3.83 0.00 0.00 -0.00 0.00 0.00 62.75 58.76 1drs n ILE 26 Cb 0.48 -0.25 0.00 0.00 -0.00 0.00 0.00 39.64 39.87 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 -0.57 0.00 0.00 4.28 2.14 -1.05 -4.58 117.44 117.66 1drs n TRP 27 Ca 0.29 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.86 1drs n TRP 27 Cb 0.85 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.35 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 -0.67 0.00 0.00 -1.67 5.66 -1.26 -2.00 114.28 114.33 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 -0.05 0.42 1.09 7.35 -1.26 -4.92 117.46 120.09 1drs n PHE 29 Ca 0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 1drs n PHE 29 Cb 0.00 0.01 0.21 0.00 0.35 0.00 0.00 39.48 40.05 1drs n PHE 29 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1drs n ASP 30 N -1.67 0.00 -2.19 -2.13 5.75 -1.26 -4.94 116.55 110.10 1drs n ASP 30 Ca 0.00 -0.03 -0.01 0.00 -0.01 0.00 0.00 54.79 54.74 1drs n ASP 30 Cb 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 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 -1.15 -4.72 -3.53 -1.12 3.02 -0.85 -5.08 115.26 101.83 1drs n ASN 31 Ca 0.05 0.06 -0.09 0.00 -0.03 0.00 0.00 54.58 54.57 1drs n ASN 31 Cb 0.04 -3.02 -0.02 0.00 -0.61 0.00 0.00 39.78 36.17 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 -2.58 0.00 -0.70 2.41 1.10 -0.95 -4.97 121.20 115.51 1drs s ILE 32 Ca 0.04 -0.17 -0.20 0.00 -0.51 0.00 0.00 60.65 59.81 1drs s ILE 32 Cb -0.01 -1.20 0.11 0.00 0.15 0.00 0.00 42.46 41.50 1drs s ILE 32 CO 0.35 0.00 0.88 -0.63 -2.11 0.00 0.00 174.94 173.43 1drs s ILE 33 N -3.51 4.70 -0.12 2.00 1.01 -1.26 -2.53 121.20 121.48 1drs s ILE 33 Ca 0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 1drs s ILE 33 Cb -0.02 -4.61 0.06 0.00 0.01 0.00 0.00 42.46 37.90 1drs s ILE 33 CO -0.08 -1.30 0.24 -0.60 0.00 0.00 0.00 174.94 173.19 1drs s ARG 34 N 2.94 0.12 0.00 2.79 3.52 -1.00 -4.61 118.95 122.71 1drs s ARG 34 Ca 0.20 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.49 1drs s ARG 34 Cb -0.17 -0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.13 1drs s ARG 34 CO 0.03 -0.28 0.00 2.89 -0.81 0.00 0.00 175.30 177.13 1drs n ARG 35 N 5.27 0.00 -3.09 5.12 1.85 -1.26 -4.50 116.66 120.05 1drs n ARG 35 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.76 1drs n ARG 35 Cb 0.50 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.92 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 0.84 3.60 2.89 0.00 -1.12 -4.18 105.19 107.23 1drs n GLY 36 Ca 0.00 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 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 4.57 -1.83 3.19 0.00 0.00 -1.06 -4.95 105.19 105.12 1drs n GLY 38 Ca -0.06 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 4.44 -3.59 0.00 3.72 -1.26 -4.96 117.46 115.81 1drs n PHE 40 Ca 0.00 -2.88 -0.37 0.00 -0.05 0.00 0.00 57.45 54.15 1drs n PHE 40 Cb 0.00 -2.61 -0.07 0.00 -0.94 0.00 0.00 39.48 35.87 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 3.94 5.26 0.47 4.37 -4.23 -1.26 -5.09 115.64 119.11 1drs s THR 41 Ca 0.52 0.57 -0.24 0.00 -1.18 0.00 0.00 61.69 61.37 1drs s THR 41 Cb 0.06 -3.61 -0.07 0.00 1.34 0.00 0.00 72.50 70.22 1drs s THR 41 CO 0.04 0.49 1.31 -2.84 -0.54 0.00 0.00 174.62 173.09 1drs s PRO 42 N -0.27 3.58 -1.15 3.99 0.02 -1.26 -4.94 135.00 134.97 1drs s PRO 42 Ca 0.18 2.14 -0.15 0.00 0.02 0.00 0.00 61.00 63.20 1drs s PRO 42 Cb -0.14 -2.49 0.15 0.00 0.02 0.00 0.00 34.50 32.05 1drs s PRO 42 CO 0.07 -0.81 1.40 0.50 -0.33 0.00 0.00 177.00 177.83 1drs s ARG 43 N -2.61 3.97 -0.41 5.54 3.52 -1.26 -4.76 118.95 122.94 1drs s ARG 43 Ca 0.64 -2.33 0.05 0.00 -0.13 0.00 0.00 55.73 53.96 1drs s ARG 43 Cb -0.38 -5.08 0.47 0.00 -1.56 0.00 0.00 34.95 28.40 1drs s ARG 43 CO 0.47 -1.82 1.52 0.41 -0.81 0.00 0.00 175.30 175.06 1drs n GLY 44 N 4.57 5.89 3.60 8.12 0.00 -1.26 -4.92 105.19 121.19 1drs n GLY 44 Ca 0.35 -2.22 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.87 -5.85 -3.89 1.61 9.92 -1.26 -4.99 116.55 111.21 1drs n ASP 45 Ca 0.48 -0.56 -0.30 0.00 -0.53 0.00 0.00 54.79 53.87 1drs n ASP 45 Cb 0.90 -4.98 -0.14 0.00 -0.64 0.00 0.00 41.12 36.27 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1drs s MET 46 N -6.24 1.60 -0.35 -1.24 -2.45 -1.26 -5.09 119.30 104.27 1drs s MET 46 Ca 0.53 -2.18 -0.28 0.00 -1.25 0.00 0.00 55.69 52.51 1drs s MET 46 Cb -0.24 -2.96 -0.02 0.00 1.25 0.00 0.00 34.83 32.87 1drs s MET 46 CO 0.74 -1.07 1.79 -1.25 1.05 0.00 0.00 175.02 176.28 1drs s PRO 47 N 0.29 3.29 0.90 4.11 0.04 -1.26 -4.96 135.00 137.40 1drs s PRO 47 Ca 0.15 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1drs s PRO 47 Cb -0.23 -4.21 0.13 0.00 0.04 0.00 0.00 34.50 30.23 1drs s PRO 47 CO -0.04 -1.91 1.11 0.20 0.04 0.00 0.00 177.00 176.41 1drs s GLY 48 N 6.18 1.59 0.79 0.56 0.00 -1.26 -5.02 107.32 110.16 1drs s GLY 48 Ca 0.78 -0.37 -0.15 0.00 0.00 0.00 0.00 44.72 44.98 1drs s GLY 48 CO 0.33 0.16 0.46 -1.05 0.00 0.00 0.00 173.10 173.00 1drs n PRO 49 N -3.78 0.12 -2.74 2.90 -0.02 -1.26 -4.95 135.00 125.27 1drs n PRO 49 Ca 0.06 0.08 -0.40 0.00 -2.02 0.00 0.00 63.50 61.23 1drs n PRO 49 Cb 0.58 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 1drs n PRO 49 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1drs s TYR 50 N -2.05 3.94 0.30 6.00 1.13 -1.19 -4.80 117.35 120.68 1drs s TYR 50 Ca 0.62 1.89 0.11 0.00 -1.41 0.00 0.00 57.07 58.28 1drs s TYR 50 Cb -0.31 -3.01 -0.05 0.00 -1.10 0.00 0.00 41.96 37.50 1drs s TYR 50 CO 0.61 0.38 -0.14 0.00 -2.51 0.00 0.00 175.55 173.89 1drs n GLU 53 N 1.45 3.39 -3.81 0.00 0.00 -1.26 -1.18 120.64 119.22 1drs n GLU 53 Ca -0.23 -4.56 -0.12 0.00 0.00 0.00 0.00 57.16 52.25 1drs n GLU 53 Cb 0.55 -2.25 -0.09 0.00 0.00 0.00 0.00 31.44 29.65 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1drs s SER 54 N -3.35 -0.06 0.15 -1.84 0.15 -1.26 -5.03 113.70 102.46 1drs s SER 54 Ca 0.48 -0.13 -0.31 0.00 0.70 0.00 0.00 55.95 56.69 1drs s SER 54 Cb 0.36 0.27 -0.11 0.00 -1.71 0.00 0.00 66.02 64.84 1drs s SER 54 CO -0.19 -0.46 1.80 -0.62 1.20 0.00 0.00 173.24 174.97 1drs s ASP 55 N -1.58 6.41 0.00 5.45 2.15 -1.26 -3.70 116.67 124.14 1drs s ASP 55 Ca -0.11 2.79 0.00 0.00 0.43 0.00 0.00 52.55 55.66 1drs s ASP 55 Cb -0.05 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1drs s ASP 55 CO 0.01 -0.99 0.00 0.29 -0.17 0.00 0.00 175.17 174.31 1drs n LYS 56 N 5.19 0.00 -2.08 4.34 4.76 -1.23 -4.65 118.16 124.49 1drs n LYS 56 Ca 0.17 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.60 1drs n LYS 56 Cb 0.37 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.56 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 1.73 -7.69 0.00 0.00 5.15 -1.26 -5.09 115.26 108.10 1drs n ASN 58 Ca -0.01 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1drs n ASN 58 Cb 0.51 -5.22 0.00 0.00 -0.53 0.00 0.00 39.78 34.54 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84