#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 0.20 -0.03 5.15 1.09 -1.26 -0.49 121.20 125.85 1drs s ILE 2 Ca 0.00 -0.05 -0.03 0.00 -1.10 0.00 0.00 60.65 59.47 1drs s ILE 2 Cb 0.00 -0.21 0.01 0.00 -1.06 0.00 0.00 42.46 41.19 1drs s ILE 2 CO 0.00 0.09 0.09 0.00 -0.10 0.00 0.00 174.94 175.02 1drs s TYR 4 N 0.00 3.19 -0.08 0.00 2.02 -1.26 -2.10 117.35 119.13 1drs s TYR 4 Ca -0.00 0.71 0.22 0.00 -0.37 0.00 0.00 57.07 57.63 1drs s TYR 4 Cb -0.01 -2.94 0.40 0.00 -0.40 0.00 0.00 41.96 39.01 1drs s TYR 4 CO 0.00 -1.07 1.15 0.27 -1.57 0.00 0.00 175.55 174.34 1drs n ASN 5 N -2.79 0.83 -2.07 2.29 6.94 -0.94 -4.16 115.26 115.36 1drs n ASN 5 Ca 0.06 -2.01 -0.01 0.00 -0.02 0.00 0.00 54.58 52.60 1drs n ASN 5 Cb 0.58 -0.24 0.01 0.00 -2.36 0.00 0.00 39.78 37.76 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1drs n HIS 6 N 0.09 -3.74 0.00 -2.53 8.25 -1.17 -4.70 115.22 111.42 1drs n HIS 6 Ca 0.02 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1drs n HIS 6 Cb 1.01 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.09 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 -1.24 -4.51 117.00 118.43 1drs n LEU 7 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1drs n LEU 7 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1drs n LEU 7 CO 0.01 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1drs n GLY 8 N -1.02 0.80 2.59 -0.72 0.00 -1.26 -3.96 105.19 101.62 1drs n GLY 8 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.97 0.00 -1.99 2.61 -1.04 -1.26 -4.99 114.28 104.64 1drs n THR 9 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1drs n THR 9 Cb 0.26 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 3.97 0.96 -2.82 3.01 -1.25 -4.98 119.74 118.63 1drs s LYS 10 Ca 0.00 2.25 -0.13 0.00 -1.01 0.00 0.00 55.97 57.08 1drs s LYS 10 Cb 0.00 -2.79 0.07 0.00 -1.01 0.00 0.00 37.83 34.10 1drs s LYS 10 CO 0.00 -0.52 0.55 -2.30 0.51 0.00 0.00 175.35 173.59 1drs n PRO 11 N 0.17 -0.49 -1.92 -1.68 -0.02 -1.26 -3.61 135.00 126.20 1drs n PRO 11 Ca 0.03 -0.10 -0.39 0.00 -2.02 0.00 0.00 63.50 61.03 1drs n PRO 11 Cb 0.43 -1.96 0.02 0.00 -0.02 0.00 0.00 33.50 31.97 1drs n PRO 11 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1drs s PRO 12 N -3.85 3.49 -0.12 0.52 0.02 -1.26 -4.43 135.00 129.38 1drs s PRO 12 Ca 0.59 2.17 -0.29 0.00 0.02 0.00 0.00 61.00 63.49 1drs s PRO 12 Cb -0.21 -2.44 0.07 0.00 0.02 0.00 0.00 34.50 31.94 1drs s PRO 12 CO 0.65 -0.89 0.69 0.95 -0.33 0.00 0.00 177.00 178.07 1drs s THR 13 N -1.32 0.00 0.02 0.99 -4.23 -1.26 -5.01 115.64 104.83 1drs s THR 13 Ca 0.66 -0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.17 1drs s THR 13 Cb -0.38 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.45 1drs s THR 13 CO 0.47 -0.00 -0.04 0.42 -0.54 0.00 0.00 174.62 174.93 1drs s THR 14 N -0.72 0.22 -0.18 3.99 -4.23 -1.26 -2.21 115.64 111.25 1drs s THR 14 Ca -0.08 -0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1drs s THR 14 Cb -0.02 -0.31 -0.02 0.00 1.34 0.00 0.00 72.50 73.50 1drs s THR 14 CO 0.07 -0.35 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.13 1drs s GLU 15 N -1.17 3.48 -0.31 3.99 2.02 -0.89 -4.92 118.70 120.88 1drs s GLU 15 Ca -0.11 -0.60 -0.24 0.00 0.02 0.00 0.00 54.97 54.04 1drs s GLU 15 Cb -0.08 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1drs s GLU 15 CO -0.00 0.02 0.82 0.99 0.02 0.00 0.00 175.26 177.11 1drs s THR 16 N 0.90 4.76 0.10 3.63 2.01 -1.26 -2.52 115.64 123.25 1drs s THR 16 Ca -0.01 1.21 0.07 0.00 0.31 0.00 0.00 61.69 63.26 1drs s THR 16 Cb -0.15 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1drs s THR 16 CO 0.01 -0.30 -0.10 0.00 -0.69 0.00 0.00 174.62 173.54 1drs n GLN 18 N 0.76 1.35 -1.97 0.00 10.64 -1.26 -0.46 117.38 126.43 1drs n GLN 18 Ca -0.14 -1.39 -0.32 0.00 -1.83 0.00 0.00 57.00 53.32 1drs n GLN 18 Cb 0.52 0.28 0.03 0.00 -0.86 0.00 0.00 30.24 30.22 1drs n GLN 18 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1drs n GLU 19 N -1.36 3.10 0.00 2.61 1.02 -1.26 -4.95 120.64 119.80 1drs n GLU 19 Ca -0.15 -3.88 0.00 0.00 -0.02 0.00 0.00 57.16 53.12 1drs n GLU 19 Cb 0.87 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1drs n GLU 19 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1drs n ASP 20 N -0.64 0.00 -2.86 1.62 9.92 -1.26 -4.70 116.55 118.63 1drs n ASP 20 Ca 0.50 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.67 1drs n ASP 20 Cb 0.59 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.10 1drs n ASP 20 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1drs s SER 21 N 0.00 0.04 -0.01 -2.24 1.04 -1.25 -4.74 113.70 106.54 1drs s SER 21 Ca 0.00 -1.17 -0.16 0.00 0.48 0.00 0.00 55.95 55.10 1drs s SER 21 Cb 0.00 0.83 0.03 0.00 0.10 0.00 0.00 66.02 66.98 1drs s SER 21 CO 0.00 -1.67 0.34 0.00 0.98 0.00 0.00 173.24 172.90 1drs s TYR 23 N -1.47 2.47 -0.21 0.00 -0.85 -0.51 -1.77 117.35 115.00 1drs s TYR 23 Ca -0.12 -0.29 -0.12 0.00 -0.52 0.00 0.00 57.07 56.02 1drs s TYR 23 Cb -0.04 -1.22 -0.05 0.00 0.38 0.00 0.00 41.96 41.03 1drs s TYR 23 CO 0.04 0.50 0.22 0.21 -1.52 0.00 0.00 175.55 175.00 1drs s LYS 24 N -2.73 4.14 -0.06 -3.49 2.47 0.45 -2.45 119.74 118.07 1drs s LYS 24 Ca 0.23 -0.12 0.03 0.00 -1.56 0.00 0.00 55.97 54.54 1drs s LYS 24 Cb -0.08 -3.50 0.01 0.00 -1.46 0.00 0.00 37.83 32.79 1drs s LYS 24 CO 0.12 0.11 -0.14 1.21 0.16 0.00 0.00 175.35 176.81 1drs s ASN 25 N 0.85 1.96 -0.25 1.43 2.47 -1.26 -2.47 114.94 117.67 1drs s ASN 25 Ca 0.11 -0.33 0.23 0.00 0.42 0.00 0.00 52.86 53.29 1drs s ASN 25 Cb -0.13 -0.79 0.50 0.00 -1.45 0.00 0.00 41.25 39.38 1drs s ASN 25 CO 0.04 0.08 1.12 2.30 -3.72 0.00 0.00 177.10 176.92 1drs n ILE 26 N 3.57 1.18 0.00 -5.21 -0.00 -1.26 -2.31 119.36 115.33 1drs n ILE 26 Ca -0.21 -2.78 0.00 0.00 -0.00 0.00 0.00 62.75 59.76 1drs n ILE 26 Cb 0.52 1.29 0.00 0.00 -0.00 0.00 0.00 39.64 41.45 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 -0.56 0.00 0.00 4.28 2.14 -1.03 -4.69 117.44 117.59 1drs n TRP 27 Ca 0.07 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.64 1drs n TRP 27 Cb 0.82 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.32 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 0.01 -1.67 5.66 -1.26 -1.63 114.28 115.39 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 2.22 -3.05 0.00 0.00 175.07 174.24 1drs n PHE 29 N 0.00 -2.35 0.79 1.09 -1.74 -1.26 -4.88 117.46 109.11 1drs n PHE 29 Ca 0.00 0.08 0.00 0.00 -0.56 0.00 0.00 57.45 56.97 1drs n PHE 29 Cb 0.00 0.66 0.00 0.00 1.52 0.00 0.00 39.48 41.66 1drs n PHE 29 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1drs n ASP 30 N -2.55 1.42 -3.29 5.98 5.68 -1.26 -4.89 116.55 117.65 1drs n ASP 30 Ca 0.00 -1.58 -0.25 0.00 -0.50 0.00 0.00 54.79 52.47 1drs n ASP 30 Cb 0.00 -0.39 0.01 0.00 -1.14 0.00 0.00 41.12 39.60 1drs n ASP 30 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1drs n ASN 31 N 0.31 -3.98 -3.75 -1.12 5.15 -1.17 -4.83 115.26 105.87 1drs n ASN 31 Ca 0.00 -0.49 -0.12 0.00 -0.60 0.00 0.00 54.58 53.37 1drs n ASN 31 Cb 0.28 -1.25 -0.07 0.00 -0.53 0.00 0.00 39.78 38.21 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 -2.06 0.08 -0.37 -1.44 1.10 -0.65 -4.92 121.20 112.95 1drs s ILE 32 Ca 0.13 -0.66 -0.29 0.00 -0.51 0.00 0.00 60.65 59.33 1drs s ILE 32 Cb -0.01 -0.92 0.02 0.00 0.15 0.00 0.00 42.46 41.69 1drs s ILE 32 CO 0.70 -0.36 1.15 -0.63 -2.11 0.00 0.00 174.94 173.68 1drs s ILE 33 N -2.48 4.33 -0.30 2.00 1.09 -1.26 -2.45 121.20 122.12 1drs s ILE 33 Ca -0.05 1.47 -0.02 0.00 -1.10 0.00 0.00 60.65 60.94 1drs s ILE 33 Cb -0.01 -4.43 0.18 0.00 -1.06 0.00 0.00 42.46 37.14 1drs s ILE 33 CO -0.03 -0.67 0.60 -0.60 -0.10 0.00 0.00 174.94 174.14 1drs s ARG 34 N 4.05 0.56 0.02 2.79 3.52 -0.98 -4.74 118.95 124.18 1drs s ARG 34 Ca 0.49 1.05 0.00 0.00 -0.13 0.00 0.00 55.73 57.14 1drs s ARG 34 Cb -0.11 0.56 -0.00 0.00 -1.56 0.00 0.00 34.95 33.84 1drs s ARG 34 CO 0.23 -0.56 0.02 2.89 -0.81 0.00 0.00 175.30 177.06 1drs n ARG 35 N 5.43 0.03 -3.80 5.12 -4.01 -1.26 -4.50 116.66 113.66 1drs n ARG 35 Ca -0.03 -0.20 0.03 0.00 -1.04 0.00 0.00 57.85 56.61 1drs n ARG 35 Cb 0.51 0.17 0.01 0.00 -3.04 0.00 0.00 32.46 30.10 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 -0.04 0.25 3.56 2.89 0.00 -1.03 -4.06 105.19 106.77 1drs n GLY 36 Ca 0.00 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 5.61 0.04 0.00 0.00 0.00 -1.01 -4.99 105.19 104.85 1drs n GLY 38 Ca 0.20 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 -0.03 -2.25 -3.41 0.00 3.72 -1.26 -4.99 117.46 109.25 1drs n PHE 40 Ca 0.00 0.95 -0.26 0.00 -0.05 0.00 0.00 57.45 58.08 1drs n PHE 40 Cb 0.00 -5.08 -0.09 0.00 -0.94 0.00 0.00 39.48 33.37 1drs n PHE 40 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1drs n THR 41 N -4.21 0.15 -2.81 4.37 5.66 -1.26 -5.07 114.28 111.11 1drs n THR 41 Ca -0.26 -4.23 -0.43 0.00 -3.05 0.00 0.00 64.05 56.08 1drs n THR 41 Cb 0.66 -1.94 -0.03 0.00 -1.55 0.00 0.00 70.33 67.47 1drs n THR 41 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1drs s PRO 42 N -1.13 3.30 0.01 1.09 0.04 -1.26 -4.72 135.00 132.33 1drs s PRO 42 Ca 0.34 -1.05 -0.12 0.00 0.04 0.00 0.00 61.00 60.21 1drs s PRO 42 Cb 0.09 -4.53 0.01 0.00 0.04 0.00 0.00 34.50 30.12 1drs s PRO 42 CO -0.13 -1.88 0.25 1.03 0.04 0.00 0.00 177.00 176.31 1drs s ARG 43 N 3.97 0.65 -0.17 4.56 0.52 -1.26 -5.05 118.95 122.18 1drs s ARG 43 Ca 0.29 -0.36 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 1drs s ARG 43 Cb -0.11 0.28 -0.10 0.00 0.52 0.00 0.00 34.95 35.55 1drs s ARG 43 CO 0.03 -0.18 -0.17 0.41 0.02 0.00 0.00 175.30 175.41 1drs n GLY 44 N 1.11 -0.25 0.75 -3.53 0.00 -1.26 -4.28 105.19 97.73 1drs n GLY 44 Ca -0.21 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.26 1.83 -3.15 1.61 5.75 -1.26 -4.34 116.55 113.73 1drs n ASP 45 Ca -0.31 -2.13 0.05 0.00 -0.01 0.00 0.00 54.79 52.39 1drs n ASP 45 Cb 0.79 -0.53 -0.01 0.00 -1.03 0.00 0.00 41.12 40.33 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1drs s MET 46 N -1.11 0.26 0.26 0.11 0.00 -1.26 -5.15 119.30 112.41 1drs s MET 46 Ca 0.07 0.46 -0.31 0.00 0.00 0.00 0.00 55.69 55.91 1drs s MET 46 Cb 0.05 0.25 -0.11 0.00 0.00 0.00 0.00 34.83 35.02 1drs s MET 46 CO 0.02 -0.29 1.62 -2.14 0.00 0.00 0.00 175.02 174.23 1drs s PRO 47 N 2.93 4.13 0.34 4.11 0.02 -1.26 -4.70 135.00 140.57 1drs s PRO 47 Ca 0.04 2.57 0.06 0.00 0.02 0.00 0.00 61.00 63.69 1drs s PRO 47 Cb -0.11 -3.05 -0.07 0.00 0.02 0.00 0.00 34.50 31.30 1drs s PRO 47 CO -0.13 -0.66 0.01 0.20 -0.33 0.00 0.00 177.00 176.08 1drs s GLY 48 N 0.71 2.13 0.92 0.52 0.00 -1.26 -5.07 107.32 105.26 1drs s GLY 48 Ca 0.67 -2.09 -0.13 0.00 0.00 0.00 0.00 44.72 43.17 1drs s GLY 48 CO 0.43 -1.91 1.26 2.56 0.00 0.00 0.00 173.10 175.43 1drs s PRO 49 N -3.78 0.81 0.07 2.90 0.04 -1.26 -5.04 135.00 128.73 1drs s PRO 49 Ca 0.34 -0.60 0.08 0.00 0.04 0.00 0.00 61.00 60.86 1drs s PRO 49 Cb 0.07 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1drs s PRO 49 CO 0.15 -2.24 -0.20 1.52 0.04 0.00 0.00 177.00 176.27 1drs s TYR 50 N -3.74 2.48 0.14 0.56 -0.85 -1.03 -4.95 117.35 109.96 1drs s TYR 50 Ca 0.73 -0.30 0.02 0.00 -0.52 0.00 0.00 57.07 57.00 1drs s TYR 50 Cb -0.04 -1.40 -0.04 0.00 0.38 0.00 0.00 41.96 40.86 1drs s TYR 50 CO 0.51 0.27 -0.02 0.00 -1.52 0.00 0.00 175.55 174.79 1drs n GLU 53 N 1.21 2.95 -3.98 0.00 0.28 -1.26 -1.34 120.64 118.50 1drs n GLU 53 Ca -0.22 -4.32 -0.09 0.00 -0.16 0.00 0.00 57.16 52.38 1drs n GLU 53 Cb 0.57 -2.07 -0.05 0.00 1.43 0.00 0.00 31.44 31.32 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 -3.43 -0.11 -0.30 -1.84 1.04 -1.26 -4.97 113.70 102.83 1drs s SER 54 Ca 0.44 -0.89 -0.28 0.00 0.48 0.00 0.00 55.95 55.70 1drs s SER 54 Cb 0.39 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 67.08 1drs s SER 54 CO -0.14 -1.15 1.84 -0.62 0.98 0.00 0.00 173.24 174.15 1drs s ASP 55 N -3.01 5.87 0.00 7.02 2.15 -1.26 -4.06 116.67 123.38 1drs s ASP 55 Ca 0.21 1.42 0.00 0.00 0.43 0.00 0.00 52.55 54.61 1drs s ASP 55 Cb -0.01 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1drs s ASP 55 CO 0.08 -1.70 0.00 0.29 -0.17 0.00 0.00 175.17 173.67 1drs n LYS 56 N 8.42 0.00 0.00 4.34 4.01 -1.16 -4.84 118.16 128.93 1drs n LYS 56 Ca 0.24 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.04 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 2.64 -2.69 0.00 0.00 0.23 -1.26 -5.18 115.26 108.99 1drs n ASN 58 Ca 0.00 -3.13 0.00 0.00 -0.53 0.00 0.00 54.58 50.92 1drs n ASN 58 Cb 0.00 1.70 0.00 0.00 -2.08 0.00 0.00 39.78 39.40 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51