#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 5.35 0.03 0.55 1.09 -1.26 -1.76 121.20 125.20 1drs s ILE 2 Ca 0.00 0.38 -0.00 0.00 -1.10 0.00 0.00 60.65 59.92 1drs s ILE 2 Cb 0.00 -3.56 -0.02 0.00 -1.06 0.00 0.00 42.46 37.82 1drs s ILE 2 CO 0.00 0.39 -0.03 0.00 -0.10 0.00 0.00 174.94 175.20 1drs s TYR 4 N -2.03 3.20 -0.18 0.00 2.02 -1.26 -1.68 117.35 117.42 1drs s TYR 4 Ca -0.11 0.02 0.15 0.00 -0.37 0.00 0.00 57.07 56.77 1drs s TYR 4 Cb -0.06 -1.56 0.42 0.00 -0.40 0.00 0.00 41.96 40.36 1drs s TYR 4 CO -0.03 0.52 1.30 -1.71 -1.57 0.00 0.00 175.55 174.06 1drs n ASN 5 N -0.18 2.77 -2.88 2.29 2.85 -1.03 -3.71 115.26 115.37 1drs n ASN 5 Ca -0.08 -3.30 -0.12 0.00 -0.11 0.00 0.00 54.58 50.98 1drs n ASN 5 Cb 0.54 -0.52 0.09 0.00 1.24 0.00 0.00 39.78 41.14 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 -1.05 -3.50 -4.18 1.20 8.25 -1.21 -4.63 115.22 110.09 1drs n HIS 6 Ca 0.21 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1drs n HIS 6 Cb 0.79 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.07 -4.38 117.00 119.73 1drs n LEU 7 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1drs n LEU 7 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1drs n LEU 7 CO 0.16 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1drs n GLY 8 N 0.00 2.18 0.24 -0.72 0.00 -1.26 -3.31 105.19 102.32 1drs n GLY 8 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -4.07 2.61 -1.04 -1.26 -5.10 114.28 105.42 1drs n THR 9 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 1drs n THR 9 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 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 -1.15 3.76 0.15 -2.82 -0.14 -1.21 -5.08 119.74 113.26 1drs s LYS 10 Ca 0.00 -0.45 0.24 0.00 -1.36 0.00 0.00 55.97 54.40 1drs s LYS 10 Cb 0.00 -3.14 0.38 0.00 -1.68 0.00 0.00 37.83 33.40 1drs s LYS 10 CO 0.00 0.12 1.37 -1.35 -0.76 0.00 0.00 175.35 174.73 1drs h PRO 11 N 7.18 0.00 0.00 -1.68 0.11 -1.94 -0.15 132.00 135.51 1drs h PRO 11 Ca -0.35 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 1drs h PRO 11 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1drs h PRO 11 CO 0.64 0.00 -0.82 -1.35 -0.21 0.00 0.00 178.00 176.26 1drs h PRO 12 N 0.00 0.00 -6.66 1.05 0.11 -1.97 -3.40 132.00 121.13 1drs h PRO 12 Ca 0.00 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.61 1drs h PRO 12 Cb 0.77 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.86 1drs h PRO 12 CO 0.00 0.26 0.26 0.95 -0.21 0.00 0.00 178.00 179.26 1drs s THR 13 N -3.07 4.25 0.12 -1.15 -4.23 -1.26 -4.99 115.64 105.31 1drs s THR 13 Ca 0.01 1.84 0.03 0.00 -1.18 0.00 0.00 61.69 62.39 1drs s THR 13 Cb 0.08 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 1drs s THR 13 CO 0.76 0.44 -0.08 0.42 -0.54 0.00 0.00 174.62 175.63 1drs s THR 14 N -1.25 0.89 -0.32 3.99 -4.23 -1.26 -2.47 115.64 110.99 1drs s THR 14 Ca 0.40 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.96 1drs s THR 14 Cb -0.23 -1.73 0.10 0.00 1.34 0.00 0.00 72.50 71.98 1drs s THR 14 CO 0.28 -0.81 0.06 -1.61 -0.54 0.00 0.00 174.62 172.00 1drs s GLU 15 N -3.74 1.23 -0.49 3.99 2.02 -0.68 -4.93 118.70 116.10 1drs s GLU 15 Ca 0.13 -1.52 -0.28 0.00 0.02 0.00 0.00 54.97 53.32 1drs s GLU 15 Cb 0.04 -2.73 0.03 0.00 0.10 0.00 0.00 34.13 31.57 1drs s GLU 15 CO -0.02 -0.93 1.08 0.99 0.02 0.00 0.00 175.26 176.40 1drs s THR 16 N 1.19 4.26 0.22 3.63 2.01 -1.26 -2.53 115.64 123.16 1drs s THR 16 Ca 0.09 1.02 0.12 0.00 0.31 0.00 0.00 61.69 63.22 1drs s THR 16 Cb -0.18 -4.57 -0.05 0.00 0.01 0.00 0.00 72.50 67.71 1drs s THR 16 CO -0.14 -1.01 -0.23 0.00 -0.69 0.00 0.00 174.62 172.55 1drs n GLN 18 N -0.06 2.41 -3.19 0.00 -0.00 -1.26 0.18 117.38 115.46 1drs n GLN 18 Ca -0.10 -2.09 -0.43 0.00 -0.00 0.00 0.00 57.00 54.38 1drs n GLN 18 Cb 0.57 -1.49 -0.07 0.00 -0.00 0.00 0.00 30.24 29.26 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 -1.78 3.17 0.66 2.61 0.41 -1.26 -4.87 118.70 117.64 1drs s GLU 19 Ca 0.33 -0.65 0.28 0.00 -0.41 0.00 0.00 54.97 54.52 1drs s GLU 19 Cb 0.21 -4.00 1.52 0.00 -1.78 0.00 0.00 34.13 30.08 1drs s GLU 19 CO 0.31 -1.02 1.86 -0.44 -0.49 0.00 0.00 175.26 175.48 1drs h ASP 20 N 8.87 0.00 -4.22 -0.19 3.32 -1.88 -3.39 116.42 118.92 1drs h ASP 20 Ca -0.26 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.40 1drs h ASP 20 Cb 1.10 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.46 1drs h ASP 20 CO 0.88 0.00 -0.75 -0.55 -1.72 0.00 0.00 179.24 177.10 1drs s SER 21 N -4.38 1.77 0.03 6.45 0.15 -1.26 -4.75 113.70 111.72 1drs s SER 21 Ca -0.03 -0.78 -0.08 0.00 0.70 0.00 0.00 55.95 55.76 1drs s SER 21 Cb 0.08 -0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1drs s SER 21 CO 0.27 -0.17 0.16 0.00 1.20 0.00 0.00 173.24 174.70 1drs s TYR 23 N -2.45 2.49 -0.27 0.00 -0.85 -0.67 -1.74 117.35 113.86 1drs s TYR 23 Ca -0.06 -0.36 -0.19 0.00 -0.52 0.00 0.00 57.07 55.94 1drs s TYR 23 Cb -0.02 -1.56 -0.02 0.00 0.38 0.00 0.00 41.96 40.74 1drs s TYR 23 CO -0.03 0.03 0.57 0.15 -1.52 0.00 0.00 175.55 174.74 1drs s LYS 24 N -0.60 4.05 -0.26 -3.49 -0.14 0.13 -2.74 119.74 116.69 1drs s LYS 24 Ca 0.09 0.38 -0.03 0.00 -1.36 0.00 0.00 55.97 55.05 1drs s LYS 24 Cb -0.11 -3.66 0.02 0.00 -1.68 0.00 0.00 37.83 32.40 1drs s LYS 24 CO 0.00 -0.40 -0.02 1.21 -0.76 0.00 0.00 175.35 175.37 1drs s ASN 25 N 1.54 4.53 0.00 2.83 2.47 -1.26 -2.93 114.94 122.11 1drs s ASN 25 Ca 0.23 -0.81 0.00 0.00 0.42 0.00 0.00 52.86 52.70 1drs s ASN 25 Cb -0.15 -1.72 0.00 0.00 -1.45 0.00 0.00 41.25 37.92 1drs s ASN 25 CO 0.09 -0.14 0.00 2.30 -3.72 0.00 0.00 177.10 175.63 1drs n ILE 26 N 4.72 0.00 0.00 -5.21 -0.00 -1.25 -2.26 119.36 115.37 1drs n ILE 26 Ca -0.16 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.29 1drs n ILE 26 Cb 0.47 0.81 0.00 0.00 -0.00 0.00 0.00 39.64 40.92 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 -1.10 0.00 0.00 4.28 2.14 -1.25 -2.02 117.44 119.48 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 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 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 -2.25 114.28 114.76 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 0.00 0.01 1.09 -1.74 -1.26 -4.96 117.46 110.61 1drs n PHE 29 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.82 1drs n PHE 29 Cb 0.00 0.00 0.11 0.00 1.52 0.00 0.00 39.48 41.11 1drs n PHE 29 CO 0.00 0.00 0.00 0.38 -0.56 0.00 0.00 176.76 176.58 1drs h ASP 30 N 0.00 0.54 -0.56 5.98 3.04 -1.99 -3.49 116.42 119.94 1drs h ASP 30 Ca 0.00 -0.25 0.00 0.00 -3.24 0.00 0.00 57.03 53.54 1drs h ASP 30 Cb 0.00 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.14 1drs h ASP 30 CO 0.00 0.91 0.00 0.59 -2.04 0.00 0.00 179.24 178.70 1drs n ASN 31 N -4.00 -0.37 -3.52 4.15 3.02 -1.07 -5.15 115.26 108.31 1drs n ASN 31 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.40 1drs n ASN 31 Cb 0.54 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.32 0.02 -0.89 2.41 1.10 -0.86 -4.96 121.20 117.70 1drs s ILE 32 Ca 0.00 -0.17 -0.18 0.00 -0.51 0.00 0.00 60.65 59.79 1drs s ILE 32 Cb 0.00 -1.01 0.14 0.00 0.15 0.00 0.00 42.46 41.74 1drs s ILE 32 CO 0.00 -0.09 1.05 -0.63 -2.11 0.00 0.00 174.94 173.16 1drs s ILE 33 N -2.90 4.84 -0.28 2.00 1.01 -1.26 -3.80 121.20 120.81 1drs s ILE 33 Ca -0.03 -1.63 -0.03 0.00 0.00 0.00 0.00 60.65 58.96 1drs s ILE 33 Cb -0.00 -4.72 0.09 0.00 0.01 0.00 0.00 42.46 37.84 1drs s ILE 33 CO -0.05 -1.42 0.10 -0.60 0.00 0.00 0.00 174.94 172.97 1drs s ARG 34 N 2.39 0.46 0.13 2.79 3.52 -0.96 -4.73 118.95 122.55 1drs s ARG 34 Ca 0.29 -0.74 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 1drs s ARG 34 Cb -0.07 -1.65 -0.01 0.00 -1.56 0.00 0.00 34.95 31.67 1drs s ARG 34 CO -0.08 -0.95 0.14 2.89 -0.81 0.00 0.00 175.30 176.49 1drs n ARG 35 N 5.06 0.20 -4.20 5.12 -4.01 -1.24 -4.63 116.66 112.95 1drs n ARG 35 Ca -0.05 -1.19 -0.14 0.00 -1.04 0.00 0.00 57.85 55.44 1drs n ARG 35 Cb 0.43 1.04 -0.10 0.00 -3.04 0.00 0.00 32.46 30.78 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 -1.86 0.91 -0.50 2.89 0.00 -1.11 -4.17 107.32 103.48 1drs s GLY 36 Ca 0.13 -1.30 -0.25 0.00 0.00 0.00 0.00 44.72 43.31 1drs s GLY 36 CO 0.10 -1.38 0.93 0.00 0.00 0.00 0.00 173.10 172.74 1drs n GLY 38 N 5.01 -1.61 7.00 0.00 0.00 -1.03 -4.95 105.19 109.62 1drs n GLY 38 Ca 0.04 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.11 -2.12 -3.50 0.00 3.72 -1.26 -5.02 117.46 109.17 1drs n PHE 40 Ca 0.00 0.78 -0.28 0.00 -0.05 0.00 0.00 57.45 57.90 1drs n PHE 40 Cb 0.00 -4.13 -0.11 0.00 -0.94 0.00 0.00 39.48 34.29 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 -3.34 0.62 -1.23 4.37 -1.32 -1.26 -5.04 115.64 108.44 1drs s THR 41 Ca 0.31 -2.46 -0.08 0.00 -1.21 0.00 0.00 61.69 58.25 1drs s THR 41 Cb -0.04 -1.44 0.20 0.00 -1.51 0.00 0.00 72.50 69.72 1drs s THR 41 CO 0.65 -1.09 1.79 -0.81 -2.21 0.00 0.00 174.62 172.95 1drs n PRO 42 N 3.26 3.87 -2.69 7.08 -0.04 -1.26 -4.37 135.00 140.86 1drs n PRO 42 Ca 0.20 -3.79 -0.04 0.00 -0.04 0.00 0.00 63.50 59.83 1drs n PRO 42 Cb 0.41 -2.81 0.02 0.00 -0.04 0.00 0.00 33.50 31.08 1drs n PRO 42 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1drs n ARG 43 N 3.14 -1.22 -2.23 0.54 3.00 -1.26 -5.08 116.66 113.54 1drs n ARG 43 Ca 0.37 0.99 -0.27 0.00 -0.00 0.00 0.00 57.85 58.94 1drs n ARG 43 Cb 0.35 -4.62 0.15 0.00 0.00 0.00 0.00 32.46 28.34 1drs n ARG 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1drs s GLY 44 N -2.95 1.77 -0.70 5.14 0.00 -1.26 -5.00 107.32 104.32 1drs s GLY 44 Ca 0.13 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.38 1drs s GLY 44 CO 0.54 -0.77 2.01 1.22 0.00 0.00 0.00 173.10 176.10 1drs n ASP 45 N -3.34 7.58 -3.90 1.64 9.92 -1.26 -4.85 116.55 122.34 1drs n ASP 45 Ca 0.15 -3.80 -0.16 0.00 -0.53 0.00 0.00 54.79 50.45 1drs n ASP 45 Cb 0.60 -0.98 -0.15 0.00 -0.64 0.00 0.00 41.12 39.95 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 -3.88 0.35 -0.24 -1.24 1.75 -1.26 -5.13 119.30 109.65 1drs s MET 46 Ca 0.62 -0.08 -0.29 0.00 -1.25 0.00 0.00 55.69 54.70 1drs s MET 46 Cb 0.49 -0.39 -0.04 0.00 2.84 0.00 0.00 34.83 37.74 1drs s MET 46 CO -0.10 0.01 1.91 -2.14 -0.65 0.00 0.00 175.02 174.05 1drs s PRO 47 N 0.29 3.44 -0.40 4.11 0.02 -1.26 -4.93 135.00 136.26 1drs s PRO 47 Ca -0.03 1.77 0.11 0.00 0.02 0.00 0.00 61.00 62.87 1drs s PRO 47 Cb -0.06 -4.22 0.39 0.00 0.02 0.00 0.00 34.50 30.64 1drs s PRO 47 CO -0.01 -1.74 0.90 0.41 -0.33 0.00 0.00 177.00 176.23 1drs n GLY 48 N 5.30 3.72 7.00 0.52 0.00 -1.26 -5.15 105.19 115.32 1drs n GLY 48 Ca 0.24 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1drs n GLY 48 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1drs n PRO 49 N -0.04 0.00 -4.90 1.61 -0.02 -1.26 -4.80 135.00 125.59 1drs n PRO 49 Ca 0.23 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.45 1drs n PRO 49 Cb 0.66 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.98 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 0.00 1.77 0.32 6.00 -0.85 -1.15 -5.02 117.35 118.42 1drs s TYR 50 Ca 0.00 -0.46 0.09 0.00 -0.52 0.00 0.00 57.07 56.18 1drs s TYR 50 Cb 0.00 -1.18 -0.06 0.00 0.38 0.00 0.00 41.96 41.10 1drs s TYR 50 CO 0.00 -0.13 -0.09 0.00 -1.52 0.00 0.00 175.55 173.82 1drs n GLU 53 N -0.07 1.52 -3.19 0.00 0.28 -1.26 -1.98 120.64 115.93 1drs n GLU 53 Ca -0.11 -3.54 -0.03 0.00 -0.16 0.00 0.00 57.16 53.31 1drs n GLU 53 Cb 0.61 -1.55 -0.02 0.00 1.43 0.00 0.00 31.44 31.91 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 -3.02 -0.98 0.98 -1.84 0.15 -1.26 -4.98 113.70 102.75 1drs s SER 54 Ca 0.34 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1drs s SER 54 Cb 0.41 1.66 0.00 0.00 -1.71 0.00 0.00 66.02 66.38 1drs s SER 54 CO -0.03 -0.17 0.00 -0.67 1.20 0.00 0.00 173.24 173.57 1drs n ASP 55 N 4.20 -2.13 0.29 5.45 2.03 -1.26 -2.71 116.55 122.42 1drs n ASP 55 Ca 0.12 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.58 1drs n ASP 55 Cb 0.55 0.00 0.88 0.00 -0.72 0.00 0.00 41.12 41.83 1drs n ASP 55 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1drs h LYS 56 N 0.00 0.00 -4.35 -0.67 -0.00 -1.80 -3.46 116.57 106.29 1drs h LYS 56 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 60.65 60.40 1drs h LYS 56 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 32.23 32.33 1drs h LYS 56 CO 0.00 0.01 -0.49 0.00 -0.00 0.00 0.00 179.45 178.98 1drs n ASN 58 N -1.98 -0.75 0.00 0.00 5.15 -1.26 -5.10 115.26 111.32 1drs n ASN 58 Ca -0.09 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.94 1drs n ASN 58 Cb 0.58 -4.33 0.00 0.00 -0.53 0.00 0.00 39.78 35.49 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55