#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 5.24 0.04 5.15 1.01 -1.26 -2.45 121.20 128.93 1drs s ILE 2 Ca 0.00 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1drs s ILE 2 Cb 0.00 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1drs s ILE 2 CO 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 174.94 175.10 1drs s TYR 4 N -1.64 2.46 -0.15 0.00 1.51 -1.26 -1.48 117.35 116.79 1drs s TYR 4 Ca -0.09 1.55 0.18 0.00 -1.01 0.00 0.00 57.07 57.70 1drs s TYR 4 Cb -0.08 -3.31 0.44 0.00 -0.11 0.00 0.00 41.96 38.89 1drs s TYR 4 CO -0.01 -1.96 1.18 0.27 -1.11 0.00 0.00 175.55 173.92 1drs n ASN 5 N -2.12 1.89 -3.51 2.29 6.94 -1.07 -4.02 115.26 115.66 1drs n ASN 5 Ca 0.12 -2.91 -0.24 0.00 -0.02 0.00 0.00 54.58 51.53 1drs n ASN 5 Cb 0.51 -0.41 0.18 0.00 -2.36 0.00 0.00 39.78 37.69 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 -0.40 -3.94 -4.35 -2.53 8.25 -1.22 -4.65 115.22 106.38 1drs n HIS 6 Ca 0.16 -0.93 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 1drs n HIS 6 Cb 0.91 -0.86 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 -3.27 2.41 4.77 -0.26 -4.34 117.00 116.32 1drs n LEU 7 Ca 0.13 0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 1drs n LEU 7 Cb 0.47 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.62 1drs n LEU 7 CO 0.34 -0.60 0.08 0.61 -1.33 0.00 0.00 177.39 176.49 1drs n GLY 8 N -0.03 -0.56 0.00 -0.72 0.00 -1.26 -3.28 105.19 99.35 1drs n GLY 8 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.72 0.00 -3.80 2.61 -1.04 -1.26 -5.03 114.28 102.03 1drs n THR 9 Ca -0.21 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.51 1drs n THR 9 Cb 0.65 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 69.00 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 0.98 0.00 -2.82 -0.14 -1.21 -5.09 119.74 111.47 1drs s LYS 10 Ca 0.00 -0.78 0.24 0.00 -1.36 0.00 0.00 55.97 54.07 1drs s LYS 10 Cb 0.00 -2.25 1.30 0.00 -1.68 0.00 0.00 37.83 35.20 1drs s LYS 10 CO 0.00 -0.72 1.85 -2.30 -0.76 0.00 0.00 175.35 173.43 1drs n PRO 11 N 4.87 1.15 -0.04 -1.68 -0.02 -1.26 -1.10 135.00 136.92 1drs n PRO 11 Ca -0.08 -0.22 0.03 0.00 -2.02 0.00 0.00 63.50 61.21 1drs n PRO 11 Cb 0.45 -1.38 -0.16 0.00 -0.02 0.00 0.00 33.50 32.39 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 -0.63 0.72 -2.15 0.52 -0.02 -1.26 -4.36 135.00 127.82 1drs n PRO 12 Ca 0.18 -0.12 -0.32 0.00 -2.02 0.00 0.00 63.50 61.22 1drs n PRO 12 Cb 0.14 -1.49 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 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 -3.08 4.45 0.03 3.45 -4.23 -1.26 -4.99 115.64 110.02 1drs s THR 13 Ca -0.08 1.04 0.01 0.00 -1.18 0.00 0.00 61.69 61.48 1drs s THR 13 Cb 0.10 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.23 1drs s THR 13 CO 0.82 -0.80 -0.05 0.42 -0.54 0.00 0.00 174.62 174.47 1drs s THR 14 N -2.78 0.32 -0.31 3.99 -4.23 -1.26 -2.59 115.64 108.77 1drs s THR 14 Ca 0.58 -0.96 -0.05 0.00 -1.18 0.00 0.00 61.69 60.09 1drs s THR 14 Cb -0.11 -0.42 0.04 0.00 1.34 0.00 0.00 72.50 73.34 1drs s THR 14 CO 0.40 -0.42 0.06 -1.61 -0.54 0.00 0.00 174.62 172.50 1drs s GLU 15 N -1.46 2.67 -0.75 3.99 2.02 -0.55 -4.88 118.70 119.75 1drs s GLU 15 Ca -0.12 -1.13 -0.26 0.00 0.02 0.00 0.00 54.97 53.48 1drs s GLU 15 Cb -0.10 -3.33 0.04 0.00 0.10 0.00 0.00 34.13 30.85 1drs s GLU 15 CO -0.00 -0.59 1.22 0.99 0.02 0.00 0.00 175.26 176.90 1drs s THR 16 N 1.37 3.89 0.28 3.63 2.01 -1.26 -2.48 115.64 123.08 1drs s THR 16 Ca -0.02 0.11 0.11 0.00 0.31 0.00 0.00 61.69 62.20 1drs s THR 16 Cb -0.19 -4.88 -0.05 0.00 0.01 0.00 0.00 72.50 67.40 1drs s THR 16 CO 0.01 -1.77 -0.16 0.00 -0.69 0.00 0.00 174.62 172.01 1drs n GLN 18 N -0.66 1.01 -3.18 0.00 3.00 -1.26 0.18 117.38 116.46 1drs n GLN 18 Ca -0.05 -0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.53 1drs n GLN 18 Cb 0.60 -1.42 -0.06 0.00 0.00 0.00 0.00 30.24 29.36 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 -2.00 4.28 0.33 -1.09 0.41 -1.26 -4.67 118.70 114.70 1drs s GLU 19 Ca 0.40 0.57 0.15 0.00 -0.41 0.00 0.00 54.97 55.69 1drs s GLU 19 Cb 0.19 -3.51 0.80 0.00 -1.78 0.00 0.00 34.13 29.82 1drs s GLU 19 CO 0.31 -0.06 1.36 -0.25 -0.49 0.00 0.00 175.26 176.13 1drs n ASP 20 N 4.41 0.38 -3.70 -0.19 9.92 -1.26 0.77 116.55 126.89 1drs n ASP 20 Ca -0.04 0.59 -0.10 0.00 -0.53 0.00 0.00 54.79 54.72 1drs n ASP 20 Cb 0.51 -0.55 -0.04 0.00 -0.64 0.00 0.00 41.12 40.40 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 -3.52 -0.29 0.23 -2.24 1.04 -1.26 -4.79 113.70 102.87 1drs s SER 21 Ca -0.02 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1drs s SER 21 Cb 0.04 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1drs s SER 21 CO 0.13 -1.04 0.17 0.00 0.98 0.00 0.00 173.24 173.48 1drs s TYR 23 N -3.99 1.44 -0.33 0.00 -0.85 -0.51 -2.10 117.35 111.01 1drs s TYR 23 Ca 0.39 -0.49 -0.08 0.00 -0.52 0.00 0.00 57.07 56.38 1drs s TYR 23 Cb 0.06 -0.78 0.02 0.00 0.38 0.00 0.00 41.96 41.64 1drs s TYR 23 CO 0.16 0.14 0.12 0.15 -1.52 0.00 0.00 175.55 174.60 1drs s LYS 24 N -2.19 2.89 -0.20 -3.49 -0.14 -0.23 -2.82 119.74 113.56 1drs s LYS 24 Ca 0.05 -1.01 -0.02 0.00 -1.36 0.00 0.00 55.97 53.63 1drs s LYS 24 Cb -0.08 -3.50 -0.00 0.00 -1.68 0.00 0.00 37.83 32.57 1drs s LYS 24 CO 0.03 -0.58 -0.09 1.21 -0.76 0.00 0.00 175.35 175.16 1drs s ASN 25 N 1.49 3.98 0.00 2.83 2.47 -1.26 -2.41 114.94 122.04 1drs s ASN 25 Ca 0.01 -0.44 0.00 0.00 0.42 0.00 0.00 52.86 52.85 1drs s ASN 25 Cb -0.18 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1drs s ASN 25 CO 0.04 0.01 0.19 2.30 -3.72 0.00 0.00 177.10 175.92 1drs n ILE 26 N 4.58 0.00 0.00 -5.21 -0.00 -1.26 -2.27 119.36 115.19 1drs n ILE 26 Ca -0.19 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.26 1drs n ILE 26 Cb 0.51 1.25 0.00 0.00 -0.00 0.00 0.00 39.64 41.40 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 -0.22 0.00 0.00 4.28 2.14 -1.24 -3.96 117.44 118.44 1drs n TRP 27 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1drs n TRP 27 Cb 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.56 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 0.00 -1.67 5.66 -1.26 -2.38 114.28 114.63 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 0.00 -1.54 1.09 7.35 -1.26 -4.99 117.46 118.11 1drs n PHE 29 Ca 0.00 0.00 -0.49 0.00 -0.76 0.00 0.00 57.45 56.20 1drs n PHE 29 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 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 0.00 2.67 -4.59 -2.13 5.75 -1.26 -4.88 116.55 112.12 1drs n ASP 30 Ca 0.00 0.48 -0.42 0.00 -0.01 0.00 0.00 54.79 54.84 1drs n ASP 30 Cb 0.00 -1.35 -0.03 0.00 -1.03 0.00 0.00 41.12 38.71 1drs n ASP 30 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1drs s ASN 31 N 6.89 6.03 0.08 -1.12 2.47 -1.26 -4.88 114.94 123.15 1drs s ASN 31 Ca 1.04 0.69 -0.26 0.00 0.42 0.00 0.00 52.86 54.75 1drs s ASN 31 Cb -0.70 -2.54 0.08 0.00 -1.45 0.00 0.00 41.25 36.65 1drs s ASN 31 CO 0.46 -1.71 0.83 -0.51 -3.72 0.00 0.00 177.10 172.45 1drs s ILE 32 N 6.45 0.00 -0.53 -5.21 1.10 -1.00 -5.06 121.20 116.95 1drs s ILE 32 Ca 0.63 -0.21 -0.16 0.00 -0.51 0.00 0.00 60.65 60.41 1drs s ILE 32 Cb -0.14 -1.27 0.12 0.00 0.15 0.00 0.00 42.46 41.31 1drs s ILE 32 CO 0.29 0.00 0.49 -0.63 -2.11 0.00 0.00 174.94 172.98 1drs s ILE 33 N -3.35 5.21 -0.05 2.00 -1.09 -1.26 -3.60 121.20 119.05 1drs s ILE 33 Ca 0.06 -1.43 -0.01 0.00 -2.23 0.00 0.00 60.65 57.04 1drs s ILE 33 Cb -0.01 -4.32 0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1drs s ILE 33 CO -0.06 -0.84 0.01 -0.60 -1.23 0.00 0.00 174.94 172.22 1drs s ARG 34 N 1.63 0.39 0.00 2.79 3.52 -0.96 -4.61 118.95 121.71 1drs s ARG 34 Ca 0.03 0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1drs s ARG 34 Cb -0.29 -0.72 0.00 0.00 -1.56 0.00 0.00 34.95 32.38 1drs s ARG 34 CO 0.04 -0.24 0.00 2.89 -0.81 0.00 0.00 175.30 177.18 1drs n ARG 35 N 4.78 0.00 -3.24 5.12 1.85 -1.26 -4.40 116.66 119.51 1drs n ARG 35 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.71 1drs n ARG 35 Cb 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 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 -1.23 3.68 2.89 0.00 -1.13 -4.29 105.19 105.12 1drs n GLY 36 Ca 0.00 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 3.14 -1.32 4.10 0.00 0.00 -1.06 -4.91 105.19 105.14 1drs n GLY 38 Ca 0.09 0.61 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 3.83 -3.36 0.00 3.72 -1.26 -4.99 117.46 115.40 1drs n PHE 40 Ca 0.00 -3.02 -0.37 0.00 -0.05 0.00 0.00 57.45 54.02 1drs n PHE 40 Cb 0.00 -2.12 -0.06 0.00 -0.94 0.00 0.00 39.48 36.36 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 1.22 4.85 1.27 4.37 -1.32 -1.26 -5.09 115.64 119.68 1drs s THR 41 Ca 0.42 0.93 -0.16 0.00 -1.21 0.00 0.00 61.69 61.67 1drs s THR 41 Cb 0.05 -3.78 0.32 0.00 -1.51 0.00 0.00 72.50 67.58 1drs s THR 41 CO 0.00 0.39 0.99 -2.84 -2.21 0.00 0.00 174.62 170.95 1drs s PRO 42 N -1.57 -1.72 -0.60 7.08 0.02 -1.26 -4.94 135.00 132.01 1drs s PRO 42 Ca 0.33 0.56 -0.25 0.00 0.02 0.00 0.00 61.00 61.66 1drs s PRO 42 Cb -0.17 -1.48 0.05 0.00 0.02 0.00 0.00 34.50 32.92 1drs s PRO 42 CO 0.18 -4.18 1.02 0.50 -0.33 0.00 0.00 177.00 174.19 1drs s ARG 43 N -4.68 3.29 0.31 5.54 3.52 -1.26 -4.98 118.95 120.69 1drs s ARG 43 Ca 0.69 -0.33 0.08 0.00 -0.13 0.00 0.00 55.73 56.04 1drs s ARG 43 Cb -0.21 -4.10 -0.04 0.00 -1.56 0.00 0.00 34.95 29.04 1drs s ARG 43 CO 0.62 -1.67 0.19 0.20 -0.81 0.00 0.00 175.30 173.83 1drs s GLY 44 N 3.15 1.74 -0.70 8.12 0.00 -1.26 -5.03 107.32 113.34 1drs s GLY 44 Ca 0.31 -1.66 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 1drs s GLY 44 CO 0.17 -1.63 2.08 1.22 0.00 0.00 0.00 173.10 174.94 1drs n ASP 45 N -1.20 7.50 -3.58 1.64 9.92 -1.26 -4.70 116.55 124.87 1drs n ASP 45 Ca -0.04 -3.73 -0.01 0.00 -0.53 0.00 0.00 54.79 50.48 1drs n ASP 45 Cb 0.60 -1.03 -0.05 0.00 -0.64 0.00 0.00 41.12 40.00 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 -3.67 0.50 0.24 -1.24 1.75 -1.26 -5.16 119.30 110.46 1drs s MET 46 Ca 0.58 1.15 -0.31 0.00 -1.25 0.00 0.00 55.69 55.86 1drs s MET 46 Cb 0.46 0.58 -0.14 0.00 2.84 0.00 0.00 34.83 38.57 1drs s MET 46 CO -0.17 -0.15 1.17 -2.30 -0.65 0.00 0.00 175.02 172.91 1drs n PRO 47 N 5.01 1.47 -1.81 4.11 -0.02 -1.26 -4.99 135.00 137.50 1drs n PRO 47 Ca -0.13 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.58 1drs n PRO 47 Cb 0.52 -2.01 0.12 0.00 -0.02 0.00 0.00 33.50 32.11 1drs n PRO 47 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1drs s GLY 48 N -0.15 1.62 0.88 -1.23 0.00 -1.26 -5.04 107.32 102.15 1drs s GLY 48 Ca 0.66 -0.73 -0.12 0.00 0.00 0.00 0.00 44.72 44.53 1drs s GLY 48 CO 0.55 -0.17 0.99 -1.05 0.00 0.00 0.00 173.10 173.42 1drs n PRO 49 N -3.52 -0.18 -2.95 2.90 -0.02 -1.26 -4.99 135.00 124.98 1drs n PRO 49 Ca 0.09 0.01 -0.36 0.00 -2.02 0.00 0.00 63.50 61.22 1drs n PRO 49 Cb 0.60 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 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 -2.39 3.66 0.22 6.00 -0.85 -1.01 -4.84 117.35 118.14 1drs s TYR 50 Ca 0.67 1.57 0.11 0.00 -0.52 0.00 0.00 57.07 58.91 1drs s TYR 50 Cb -0.25 -2.76 -0.05 0.00 0.38 0.00 0.00 41.96 39.28 1drs s TYR 50 CO 0.57 0.26 -0.20 0.00 -1.52 0.00 0.00 175.55 174.67 1drs n GLU 53 N 0.04 2.51 -3.90 0.00 0.28 -1.26 -2.07 120.64 116.24 1drs n GLU 53 Ca -0.14 -4.44 -0.09 0.00 -0.16 0.00 0.00 57.16 52.33 1drs n GLU 53 Cb 0.62 -2.07 -0.05 0.00 1.43 0.00 0.00 31.44 31.36 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 -2.92 -0.14 -0.10 -1.84 0.15 -1.26 -5.00 113.70 102.58 1drs s SER 54 Ca 0.45 -0.75 -0.29 0.00 0.70 0.00 0.00 55.95 56.05 1drs s SER 54 Cb 0.26 0.58 -0.05 0.00 -1.71 0.00 0.00 66.02 65.10 1drs s SER 54 CO -0.10 -1.10 1.62 -0.62 1.20 0.00 0.00 173.24 174.24 1drs s ASP 55 N -2.96 6.61 0.00 5.45 2.15 -1.26 -3.96 116.67 122.70 1drs s ASP 55 Ca 0.17 2.07 0.00 0.00 0.43 0.00 0.00 52.55 55.21 1drs s ASP 55 Cb -0.01 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1drs s ASP 55 CO 0.04 -0.99 0.00 0.29 -0.17 0.00 0.00 175.17 174.34 1drs n LYS 56 N 7.22 0.00 -3.41 4.34 4.01 -0.88 -4.42 118.16 125.01 1drs n LYS 56 Ca 0.17 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.77 1drs n LYS 56 Cb 0.43 0.00 0.06 0.00 -0.51 0.00 0.00 35.03 35.02 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 -3.04 0.00 0.00 0.00 3.02 -1.26 -5.12 115.26 108.86 1drs n ASN 58 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1drs n ASN 58 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53