#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 5.18 0.08 5.15 1.09 -1.26 -1.81 121.20 129.62 1drs s ILE 2 Ca 0.00 0.89 0.01 0.00 -1.10 0.00 0.00 60.65 60.45 1drs s ILE 2 Cb 0.00 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 1drs s ILE 2 CO 0.00 0.36 -0.06 0.00 -0.10 0.00 0.00 174.94 175.14 1drs s TYR 4 N -3.28 3.50 -0.38 0.00 1.51 -1.26 -0.92 117.35 116.51 1drs s TYR 4 Ca 0.07 1.18 0.11 0.00 -1.01 0.00 0.00 57.07 57.42 1drs s TYR 4 Cb 0.03 -2.86 0.36 0.00 -0.11 0.00 0.00 41.96 39.37 1drs s TYR 4 CO -0.05 -0.89 0.85 -1.71 -1.11 0.00 0.00 175.55 172.64 1drs n ASN 5 N -2.85 0.15 -2.28 2.29 5.15 -1.07 -4.26 115.26 112.39 1drs n ASN 5 Ca 0.06 -3.11 -0.02 0.00 -0.60 0.00 0.00 54.58 50.91 1drs n ASN 5 Cb 0.55 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 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 0.23 -1.58 -4.39 1.20 8.25 -1.21 -4.66 115.22 113.07 1drs n HIS 6 Ca 0.19 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1drs n HIS 6 Cb 0.69 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.76 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 -3.57 2.41 4.77 0.11 -4.42 117.00 116.30 1drs n LEU 7 Ca -0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1drs n LEU 7 Cb 0.06 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1drs n LEU 7 CO 0.04 -0.45 0.12 0.61 -1.33 0.00 0.00 177.39 176.37 1drs n GLY 8 N 0.00 -0.41 0.00 -0.72 0.00 -1.26 -3.26 105.19 99.54 1drs n GLY 8 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.45 0.00 -4.83 2.61 -1.04 -1.26 -5.08 114.28 100.23 1drs n THR 9 Ca -0.18 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.52 1drs n THR 9 Cb 0.63 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.97 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 2.83 0.00 -2.82 3.01 -1.20 -5.08 119.74 116.48 1drs s LYS 10 Ca 0.00 -0.79 0.25 0.00 -1.01 0.00 0.00 55.97 54.41 1drs s LYS 10 Cb 0.00 -2.24 0.47 0.00 -1.01 0.00 0.00 37.83 35.05 1drs s LYS 10 CO 0.00 0.05 1.42 -0.35 0.51 0.00 0.00 175.35 176.98 1drs n PRO 11 N 3.88 2.15 0.20 -1.68 -0.04 -1.26 -0.71 135.00 137.53 1drs n PRO 11 Ca -0.20 -1.69 0.14 0.00 -0.04 0.00 0.00 63.50 61.72 1drs n PRO 11 Cb 0.52 -1.47 0.50 0.00 -0.04 0.00 0.00 33.50 33.01 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 3.93 0.00 -5.85 0.54 0.11 -1.98 -3.44 132.00 125.31 1drs h PRO 12 Ca 0.00 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.48 1drs h PRO 12 Cb 0.84 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 1drs h PRO 12 CO 0.00 0.00 -0.50 0.95 -0.21 0.00 0.00 178.00 178.24 1drs s THR 13 N -3.40 5.39 0.04 -1.15 -4.23 -1.26 -5.08 115.64 105.95 1drs s THR 13 Ca 0.05 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 1drs s THR 13 Cb 0.09 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 1drs s THR 13 CO 0.53 0.26 -0.05 0.42 -0.54 0.00 0.00 174.62 175.24 1drs s THR 14 N -1.38 0.31 -0.59 3.99 -4.23 -1.26 -2.60 115.64 109.87 1drs s THR 14 Ca 0.30 -1.17 -0.06 0.00 -1.18 0.00 0.00 61.69 59.58 1drs s THR 14 Cb -0.13 -0.66 0.15 0.00 1.34 0.00 0.00 72.50 73.21 1drs s THR 14 CO 0.22 -0.56 0.43 -0.70 -0.54 0.00 0.00 174.62 173.47 1drs s GLU 15 N -2.02 2.61 -0.22 3.99 2.56 -0.10 -4.87 118.70 120.66 1drs s GLU 15 Ca -0.09 -2.25 -0.29 0.00 0.00 0.00 0.00 54.97 52.34 1drs s GLU 15 Cb -0.06 -3.85 -0.03 0.00 2.00 0.00 0.00 34.13 32.18 1drs s GLU 15 CO -0.02 -1.18 1.68 0.99 -0.56 0.00 0.00 175.26 176.17 1drs s THR 16 N 0.45 3.61 0.14 -1.70 2.01 -1.26 -2.43 115.64 116.45 1drs s THR 16 Ca 0.13 0.68 0.10 0.00 0.31 0.00 0.00 61.69 62.92 1drs s THR 16 Cb -0.20 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1drs s THR 16 CO -0.04 -0.28 -0.24 0.00 -0.69 0.00 0.00 174.62 173.38 1drs n GLN 18 N 0.76 0.07 -3.42 0.00 6.02 -1.26 -0.29 117.38 119.25 1drs n GLN 18 Ca -0.16 -0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.45 1drs n GLN 18 Cb 0.53 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 30.20 1drs n GLN 18 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1drs s GLU 19 N -3.05 4.23 0.00 -1.09 0.41 -1.26 -4.87 118.70 113.07 1drs s GLU 19 Ca 0.08 0.21 0.04 0.00 -0.41 0.00 0.00 54.97 54.89 1drs s GLU 19 Cb 0.16 -3.49 0.19 0.00 -1.78 0.00 0.00 34.13 29.21 1drs s GLU 19 CO 0.78 0.08 0.97 -0.25 -0.49 0.00 0.00 175.26 176.34 1drs n ASP 20 N 4.08 0.00 -3.74 -0.19 8.00 -1.26 -4.04 116.55 119.39 1drs n ASP 20 Ca -0.09 0.26 -0.13 0.00 0.71 0.00 0.00 54.79 55.54 1drs n ASP 20 Cb 0.51 -0.31 -0.08 0.00 -0.02 0.00 0.00 41.12 41.22 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 -2.62 -0.19 0.06 -2.24 0.01 -1.26 -4.85 113.70 102.61 1drs s SER 21 Ca 0.03 0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.32 1drs s SER 21 Cb 0.03 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.57 1drs s SER 21 CO 0.06 -0.53 -0.07 0.00 0.41 0.00 0.00 173.24 173.11 1drs s TYR 23 N -2.35 2.89 -0.05 0.00 -0.85 -0.69 -1.71 117.35 114.59 1drs s TYR 23 Ca -0.01 -1.03 -0.29 0.00 -0.52 0.00 0.00 57.07 55.22 1drs s TYR 23 Cb -0.03 -2.01 -0.02 0.00 0.38 0.00 0.00 41.96 40.27 1drs s TYR 23 CO -0.02 -0.54 0.96 0.15 -1.52 0.00 0.00 175.55 174.58 1drs s LYS 24 N 1.21 4.49 -0.36 -3.49 1.02 -0.13 -2.86 119.74 119.62 1drs s LYS 24 Ca 0.02 1.34 -0.00 0.00 0.02 0.00 0.00 55.97 57.35 1drs s LYS 24 Cb -0.14 -3.49 0.09 0.00 -0.52 0.00 0.00 37.83 33.76 1drs s LYS 24 CO -0.04 -0.15 0.10 1.21 -0.92 0.00 0.00 175.35 175.55 1drs s ASN 25 N 1.03 4.99 -0.20 2.83 3.04 -1.26 -3.08 114.94 122.29 1drs s ASN 25 Ca 0.49 -1.88 0.15 0.00 0.04 0.00 0.00 52.86 51.66 1drs s ASN 25 Cb -0.20 -1.73 0.52 0.00 -1.54 0.00 0.00 41.25 38.30 1drs s ASN 25 CO 0.23 -0.42 1.42 2.30 -3.04 0.00 0.00 177.10 177.60 1drs n ILE 26 N 4.49 2.33 0.00 -5.21 -6.64 -1.26 -2.56 119.36 110.51 1drs n ILE 26 Ca -0.03 -2.05 0.00 0.00 -1.77 0.00 0.00 62.75 58.90 1drs n ILE 26 Cb 0.42 -0.27 0.00 0.00 -1.44 0.00 0.00 39.64 38.35 1drs n ILE 26 CO 0.00 0.00 0.00 -2.67 -1.77 0.00 0.00 176.55 172.11 1drs n TRP 27 N -0.67 0.00 0.00 4.28 2.14 -1.18 -3.98 117.44 118.03 1drs n TRP 27 Ca 0.24 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.81 1drs n TRP 27 Cb 0.92 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.42 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 -0.15 0.00 -2.69 -1.67 5.66 -1.26 -1.81 114.28 112.36 1drs n THR 28 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1drs n THR 28 Cb 0.00 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 68.87 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 -1.31 0.00 1.09 7.35 -1.26 -4.96 117.46 118.37 1drs n PHE 29 Ca 0.00 -2.14 0.00 0.00 -0.76 0.00 0.00 57.45 54.55 1drs n PHE 29 Cb 0.00 0.99 0.00 0.00 0.35 0.00 0.00 39.48 40.82 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 -0.55 0.00 -0.48 -2.13 5.75 -1.21 -5.08 116.55 112.85 1drs n ASP 30 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1drs n ASP 30 Cb 0.84 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 1drs n ASP 30 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1drs n ASN 31 N -0.47 -0.64 -3.61 -1.12 5.15 -0.75 -5.10 115.26 108.71 1drs n ASN 31 Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1drs n ASN 31 Cb 0.00 -0.32 -0.04 0.00 -0.53 0.00 0.00 39.78 38.89 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 -2.27 0.04 -0.59 -1.44 1.10 -1.16 -4.94 121.20 111.94 1drs s ILE 32 Ca 0.00 -0.50 -0.22 0.00 -0.51 0.00 0.00 60.65 59.41 1drs s ILE 32 Cb 0.00 -1.24 0.06 0.00 0.15 0.00 0.00 42.46 41.43 1drs s ILE 32 CO 0.00 -0.19 0.87 -0.63 -2.11 0.00 0.00 174.94 172.88 1drs s ILE 33 N -3.81 4.49 -0.19 2.00 -1.09 -1.26 -3.09 121.20 118.25 1drs s ILE 33 Ca 0.04 -0.23 -0.04 0.00 -2.23 0.00 0.00 60.65 58.19 1drs s ILE 33 Cb 0.00 -4.55 0.09 0.00 -1.58 0.00 0.00 42.46 36.43 1drs s ILE 33 CO -0.10 -1.19 0.27 -0.60 -1.23 0.00 0.00 174.94 172.09 1drs s ARG 34 N 3.64 0.21 0.22 2.79 3.52 -1.06 -4.63 118.95 123.64 1drs s ARG 34 Ca 0.23 0.43 -0.08 0.00 -0.13 0.00 0.00 55.73 56.18 1drs s ARG 34 Cb -0.17 -0.71 0.03 0.00 -1.56 0.00 0.00 34.95 32.55 1drs s ARG 34 CO 0.13 -0.55 0.42 2.89 -0.81 0.00 0.00 175.30 177.39 1drs n ARG 35 N 5.34 0.61 -4.48 5.12 -4.01 -1.26 -4.49 116.66 113.49 1drs n ARG 35 Ca -0.05 -1.24 -0.23 0.00 -1.04 0.00 0.00 57.85 55.29 1drs n ARG 35 Cb 0.50 1.52 -0.11 0.00 -3.04 0.00 0.00 32.46 31.33 1drs n ARG 35 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 1drs s GLY 36 N -2.14 2.06 -0.33 2.89 0.00 -1.14 -4.40 107.32 104.27 1drs s GLY 36 Ca 0.09 -2.04 -0.06 0.00 0.00 0.00 0.00 44.72 42.71 1drs s GLY 36 CO 0.07 -1.90 0.08 0.00 0.00 0.00 0.00 173.10 171.35 1drs n GLY 38 N 4.79 -1.99 7.00 0.00 0.00 -1.07 -4.95 105.19 108.96 1drs n GLY 38 Ca -0.13 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.18 -2.40 -3.82 0.00 3.72 -1.26 -5.00 117.46 108.52 1drs n PHE 40 Ca 0.00 0.95 -0.35 0.00 -0.05 0.00 0.00 57.45 58.01 1drs n PHE 40 Cb 0.00 -4.91 -0.12 0.00 -0.94 0.00 0.00 39.48 33.51 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 -3.38 3.14 -1.17 4.37 -1.32 -1.26 -4.99 115.64 111.03 1drs s THR 41 Ca 0.24 -2.49 -0.06 0.00 -1.21 0.00 0.00 61.69 58.16 1drs s THR 41 Cb -0.11 -3.15 0.25 0.00 -1.51 0.00 0.00 72.50 67.98 1drs s THR 41 CO 0.75 -0.74 1.65 -0.81 -2.21 0.00 0.00 174.62 173.26 1drs n PRO 42 N 4.07 4.11 -3.46 7.08 -0.04 -1.26 -4.81 135.00 140.69 1drs n PRO 42 Ca 0.02 -4.11 -0.38 0.00 -0.04 0.00 0.00 63.50 58.99 1drs n PRO 42 Cb 0.39 -2.69 -0.06 0.00 -0.04 0.00 0.00 33.50 31.10 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 -1.42 4.13 0.00 0.54 3.52 -1.26 -5.10 118.95 119.36 1drs s ARG 43 Ca 0.35 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 1drs s ARG 43 Cb 0.07 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1drs s ARG 43 CO 0.06 0.40 0.00 0.41 -0.81 0.00 0.00 175.30 175.37 1drs n GLY 44 N 2.69 2.44 3.68 8.12 0.00 -1.26 -4.15 105.19 116.71 1drs n GLY 44 Ca -0.11 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.70 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 0.00 -2.36 -0.90 1.61 5.75 -1.26 -4.22 116.55 115.17 1drs n ASP 45 Ca 0.00 -0.75 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 1drs n ASP 45 Cb 0.00 -4.30 0.00 0.00 -1.03 0.00 0.00 41.12 35.79 1drs n ASP 45 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1drs n MET 46 N -4.38 0.00 -0.51 0.11 0.00 -1.26 -5.09 117.12 105.98 1drs n MET 46 Ca -0.21 0.44 -0.29 0.00 -0.00 0.00 0.00 57.70 57.64 1drs n MET 46 Cb 0.64 -0.45 0.26 0.00 0.00 0.00 0.00 33.22 33.67 1drs n MET 46 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1drs s PRO 47 N -1.86 -1.50 0.89 2.12 0.02 -1.26 -5.05 135.00 128.36 1drs s PRO 47 Ca 0.00 0.63 -0.13 0.00 0.02 0.00 0.00 61.00 61.51 1drs s PRO 47 Cb 0.00 -1.50 0.15 0.00 0.02 0.00 0.00 34.50 33.17 1drs s PRO 47 CO 0.00 -4.05 1.25 0.20 -0.33 0.00 0.00 177.00 174.06 1drs s GLY 48 N -2.69 1.72 0.35 0.52 0.00 -1.26 -5.03 107.32 100.94 1drs s GLY 48 Ca 0.69 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 44.09 1drs s GLY 48 CO 0.63 -0.39 1.11 -1.55 0.00 0.00 0.00 173.10 172.90 1drs n PRO 49 N -3.54 1.63 -2.24 2.90 -0.04 -1.26 -4.95 135.00 127.50 1drs n PRO 49 Ca 0.13 0.57 -0.32 0.00 -0.04 0.00 0.00 63.50 63.84 1drs n PRO 49 Cb 0.60 -2.09 -0.01 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.15 3.20 0.01 0.54 -0.85 -1.18 -4.81 117.35 113.12 1drs s TYR 50 Ca 0.59 1.50 0.06 0.00 -0.52 0.00 0.00 57.07 58.70 1drs s TYR 50 Cb -0.60 -2.91 -0.02 0.00 0.38 0.00 0.00 41.96 38.81 1drs s TYR 50 CO 0.60 -0.75 -0.19 0.00 -1.52 0.00 0.00 175.55 173.69 1drs n GLU 53 N -0.65 1.28 -4.22 0.00 0.00 -1.26 -2.11 120.64 113.66 1drs n GLU 53 Ca -0.05 -3.45 -0.14 0.00 0.00 0.00 0.00 57.16 53.52 1drs n GLU 53 Cb 0.61 -1.55 -0.10 0.00 0.00 0.00 0.00 31.44 30.40 1drs n GLU 53 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1drs s SER 54 N -2.84 0.53 0.01 -1.84 1.04 -1.26 -5.07 113.70 104.27 1drs s SER 54 Ca 0.35 -1.47 -0.30 0.00 0.48 0.00 0.00 55.95 55.00 1drs s SER 54 Cb 0.40 0.41 -0.06 0.00 0.10 0.00 0.00 66.02 66.87 1drs s SER 54 CO -0.03 -0.89 1.49 -0.62 0.98 0.00 0.00 173.24 174.17 1drs s ASP 55 N -3.21 6.77 0.00 7.02 2.15 -1.26 -4.30 116.67 123.83 1drs s ASP 55 Ca 0.39 2.21 0.00 0.00 0.43 0.00 0.00 52.55 55.58 1drs s ASP 55 Cb 0.06 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1drs s ASP 55 CO 0.16 -0.79 0.00 0.29 -0.17 0.00 0.00 175.17 174.66 1drs n LYS 56 N 5.66 0.00 -1.74 4.34 4.76 -1.06 -4.58 118.16 125.54 1drs n LYS 56 Ca 0.14 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.58 1drs n LYS 56 Cb 0.43 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.62 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 1.89 -7.07 0.00 0.00 5.15 -1.26 -5.15 115.26 108.82 1drs n ASN 58 Ca -0.01 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1drs n ASN 58 Cb 0.37 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 34.87 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84