#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 4.98 0.02 5.15 1.09 -1.26 -1.80 121.20 129.38 1drs s ILE 2 Ca 0.00 0.05 0.00 0.00 -1.10 0.00 0.00 60.65 59.61 1drs s ILE 2 Cb 0.00 -3.33 -0.02 0.00 -1.06 0.00 0.00 42.46 38.05 1drs s ILE 2 CO 0.00 0.33 -0.04 0.00 -0.10 0.00 0.00 174.94 175.13 1drs s TYR 4 N -1.40 2.97 0.00 0.00 2.02 -1.26 -1.90 117.35 117.78 1drs s TYR 4 Ca -0.14 0.06 0.10 0.00 -0.37 0.00 0.00 57.07 56.72 1drs s TYR 4 Cb -0.10 -2.62 0.17 0.00 -0.40 0.00 0.00 41.96 39.02 1drs s TYR 4 CO -0.01 -0.71 1.04 0.27 -1.57 0.00 0.00 175.55 174.57 1drs n ASN 5 N -2.26 0.36 -3.31 2.29 6.94 -1.10 -3.72 115.26 114.46 1drs n ASN 5 Ca 0.06 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 1drs n ASN 5 Cb 0.59 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 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 0.20 -0.03 -3.18 -2.53 8.25 -1.14 -4.75 115.22 112.05 1drs n HIS 6 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.56 1drs n HIS 6 Cb 0.87 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.96 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 -3.65 2.41 4.77 -0.11 -4.71 117.00 115.71 1drs n LEU 7 Ca 0.00 0.66 -0.23 0.00 -0.03 0.00 0.00 56.01 56.42 1drs n LEU 7 Cb 0.00 -1.87 0.06 0.00 -2.33 0.00 0.00 43.42 39.28 1drs n LEU 7 CO 0.00 -1.92 0.09 0.61 -1.33 0.00 0.00 177.39 174.84 1drs n GLY 8 N -1.86 -0.41 0.00 -0.72 0.00 -1.26 -2.65 105.19 98.29 1drs n GLY 8 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.49 0.00 -3.77 2.61 -1.04 -1.26 -5.07 114.28 101.27 1drs n THR 9 Ca -0.16 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.61 1drs n THR 9 Cb 0.62 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.95 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 0.64 0.00 -2.82 1.02 -1.08 -5.08 119.74 112.42 1drs s LYS 10 Ca 0.00 0.01 0.28 0.00 0.02 0.00 0.00 55.97 56.29 1drs s LYS 10 Cb 0.00 -1.18 1.09 0.00 -0.52 0.00 0.00 37.83 37.23 1drs s LYS 10 CO 0.00 -0.36 1.77 -2.30 -0.92 0.00 0.00 175.35 173.54 1drs n PRO 11 N 5.13 1.12 0.01 -1.68 -0.02 -1.26 -0.94 135.00 137.36 1drs n PRO 11 Ca -0.08 -0.55 0.06 0.00 -2.02 0.00 0.00 63.50 60.91 1drs n PRO 11 Cb 0.50 -1.49 0.26 0.00 -0.02 0.00 0.00 33.50 32.74 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 -0.46 0.01 -4.33 0.52 -0.02 -1.26 -4.58 135.00 124.89 1drs n PRO 12 Ca 0.16 0.32 -0.19 0.00 -2.02 0.00 0.00 63.50 61.77 1drs n PRO 12 Cb 0.31 -1.53 -0.10 0.00 -0.02 0.00 0.00 33.50 32.16 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 -3.03 1.70 0.05 3.45 -4.23 -1.26 -5.07 115.64 107.26 1drs s THR 13 Ca 0.05 -2.07 -0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1drs s THR 13 Cb 0.07 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 1drs s THR 13 CO 0.21 -0.50 -0.03 0.42 -0.54 0.00 0.00 174.62 174.18 1drs s THR 14 N -2.63 0.25 -0.35 3.99 -4.23 -1.26 -2.70 115.64 108.71 1drs s THR 14 Ca 0.19 -1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1drs s THR 14 Cb -0.03 -1.28 0.07 0.00 1.34 0.00 0.00 72.50 72.60 1drs s THR 14 CO 0.06 -0.88 0.11 -1.61 -0.54 0.00 0.00 174.62 171.76 1drs s GLU 15 N -3.40 2.33 -0.55 3.99 2.02 -0.80 -4.90 118.70 117.39 1drs s GLU 15 Ca 0.03 -1.45 -0.28 0.00 0.02 0.00 0.00 54.97 53.28 1drs s GLU 15 Cb 0.04 -3.42 0.01 0.00 0.10 0.00 0.00 34.13 30.86 1drs s GLU 15 CO -0.08 -0.81 1.42 0.99 0.02 0.00 0.00 175.26 176.81 1drs s THR 16 N 1.26 3.79 0.19 3.63 2.01 -1.26 -2.62 115.64 122.64 1drs s THR 16 Ca 0.01 0.69 0.11 0.00 0.31 0.00 0.00 61.69 62.80 1drs s THR 16 Cb -0.21 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 1drs s THR 16 CO -0.01 -1.12 -0.23 0.00 -0.69 0.00 0.00 174.62 172.57 1drs n GLN 18 N 0.25 1.40 -2.93 0.00 7.27 -1.26 0.40 117.38 122.51 1drs n GLN 18 Ca -0.12 -1.51 -0.44 0.00 0.07 0.00 0.00 57.00 55.00 1drs n GLN 18 Cb 0.56 -1.25 -0.04 0.00 2.41 0.00 0.00 30.24 31.93 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 -0.99 3.22 0.51 3.69 2.02 -1.26 -4.91 118.70 120.98 1drs s GLU 19 Ca 0.18 -1.18 0.05 0.00 0.02 0.00 0.00 54.97 54.03 1drs s GLU 19 Cb 0.11 -4.41 0.25 0.00 0.10 0.00 0.00 34.13 30.18 1drs s GLU 19 CO 0.16 -1.75 1.04 -0.44 0.02 0.00 0.00 175.26 174.29 1drs h ASP 20 N 9.29 0.00 -4.23 -0.19 5.19 -1.88 -3.39 116.42 121.20 1drs h ASP 20 Ca -0.18 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 55.77 1drs h ASP 20 Cb 1.06 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.30 1drs h ASP 20 CO 1.14 0.00 -0.80 -0.55 -3.12 0.00 0.00 179.24 175.91 1drs s SER 21 N -3.02 1.59 0.28 6.45 0.15 -1.26 -4.78 113.70 113.11 1drs s SER 21 Ca -0.01 -0.32 0.06 0.00 0.70 0.00 0.00 55.95 56.38 1drs s SER 21 Cb 0.01 -0.15 -0.06 0.00 -1.71 0.00 0.00 66.02 64.12 1drs s SER 21 CO 0.04 0.11 -0.03 0.00 1.20 0.00 0.00 173.24 174.57 1drs s TYR 23 N -3.14 0.62 -0.22 0.00 -0.85 -0.34 -1.30 117.35 112.11 1drs s TYR 23 Ca 0.30 -0.95 -0.04 0.00 -0.52 0.00 0.00 57.07 55.86 1drs s TYR 23 Cb 0.05 -0.41 -0.01 0.00 0.38 0.00 0.00 41.96 41.97 1drs s TYR 23 CO 0.12 -0.28 -0.03 0.21 -1.52 0.00 0.00 175.55 174.05 1drs s LYS 24 N -3.58 3.39 -0.18 -3.49 2.47 -0.94 -2.79 119.74 114.62 1drs s LYS 24 Ca 0.06 -0.62 0.01 0.00 -1.56 0.00 0.00 55.97 53.86 1drs s LYS 24 Cb 0.05 -3.05 0.02 0.00 -1.46 0.00 0.00 37.83 33.39 1drs s LYS 24 CO -0.07 -0.20 -0.20 1.21 0.16 0.00 0.00 175.35 176.25 1drs s ASN 25 N 1.49 3.17 -0.21 1.43 2.47 -1.26 -3.23 114.94 118.80 1drs s ASN 25 Ca 0.06 -0.68 0.15 0.00 0.42 0.00 0.00 52.86 52.82 1drs s ASN 25 Cb -0.14 -1.48 0.46 0.00 -1.45 0.00 0.00 41.25 38.63 1drs s ASN 25 CO -0.03 -0.01 1.17 2.30 -3.72 0.00 0.00 177.10 176.82 1drs n ILE 26 N 4.61 1.69 0.00 -5.21 -6.64 -1.26 -2.62 119.36 109.93 1drs n ILE 26 Ca -0.21 -3.10 0.00 0.00 -1.77 0.00 0.00 62.75 57.67 1drs n ILE 26 Cb 0.50 0.07 0.00 0.00 -1.44 0.00 0.00 39.64 38.77 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 -0.56 0.00 0.00 4.28 2.14 -0.95 -4.60 117.44 117.74 1drs n TRP 27 Ca 0.22 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.79 1drs n TRP 27 Cb 0.89 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.39 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 -1.44 114.28 115.56 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 -1.98 0.00 0.29 1.09 7.35 -1.26 -4.75 117.46 118.20 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 0.00 0.18 0.00 0.35 0.00 0.00 39.48 40.01 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 2.10 0.00 -1.80 -2.13 5.75 -1.26 -4.92 116.55 114.28 1drs n ASP 30 Ca 0.00 0.49 -0.00 0.00 -0.01 0.00 0.00 54.79 55.27 1drs n ASP 30 Cb 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 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 -1.49 -3.11 -3.61 -1.12 5.15 -1.00 -5.06 115.26 105.02 1drs n ASN 31 Ca 0.02 -0.01 -0.06 0.00 -0.60 0.00 0.00 54.58 53.93 1drs n ASN 31 Cb 0.10 -1.82 -0.02 0.00 -0.53 0.00 0.00 39.78 37.50 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 -3.00 0.00 -0.56 -1.44 1.10 -0.52 -4.99 121.20 111.79 1drs s ILE 32 Ca 0.00 -0.27 -0.20 0.00 -0.51 0.00 0.00 60.65 59.67 1drs s ILE 32 Cb -0.00 -1.44 0.07 0.00 0.15 0.00 0.00 42.46 41.24 1drs s ILE 32 CO 0.14 0.00 0.73 -0.63 -2.11 0.00 0.00 174.94 173.07 1drs s ILE 33 N -3.12 4.73 -0.07 2.00 1.01 -1.26 -2.24 121.20 122.25 1drs s ILE 33 Ca 0.08 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1drs s ILE 33 Cb -0.01 -4.44 0.03 0.00 0.01 0.00 0.00 42.46 38.05 1drs s ILE 33 CO -0.04 -1.03 -0.01 -0.13 0.00 0.00 0.00 174.94 173.73 1drs s ARG 34 N 2.97 0.69 0.00 2.79 0.52 -1.08 -4.71 118.95 120.14 1drs s ARG 34 Ca 0.16 0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 1drs s ARG 34 Cb -0.20 -1.01 0.00 0.00 0.52 0.00 0.00 34.95 34.26 1drs s ARG 34 CO 0.10 -0.29 0.00 2.89 0.02 0.00 0.00 175.30 178.03 1drs n ARG 35 N 5.06 0.00 -2.29 3.54 -4.01 -1.26 -4.42 116.66 113.27 1drs n ARG 35 Ca -0.09 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.72 1drs n ARG 35 Cb 0.50 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.92 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 0.00 -0.44 3.65 2.89 0.00 -1.12 -4.20 105.19 105.97 1drs n GLY 36 Ca 0.00 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 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 4.19 -1.78 3.70 0.00 0.00 -1.02 -4.93 105.19 105.35 1drs n GLY 38 Ca -0.10 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 2.72 -4.03 0.00 3.72 -1.26 -4.96 117.46 113.65 1drs n PHE 40 Ca 0.00 -2.81 -0.35 0.00 -0.05 0.00 0.00 57.45 54.24 1drs n PHE 40 Cb 0.00 -1.88 -0.08 0.00 -0.94 0.00 0.00 39.48 36.57 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 -0.49 4.96 1.24 4.37 -1.32 -1.26 -5.13 115.64 118.00 1drs s THR 41 Ca 0.48 0.01 -0.21 0.00 -1.21 0.00 0.00 61.69 60.77 1drs s THR 41 Cb 0.15 -3.18 0.31 0.00 -1.51 0.00 0.00 72.50 68.26 1drs s THR 41 CO -0.05 0.54 1.13 -2.84 -2.21 0.00 0.00 174.62 171.19 1drs s PRO 42 N -0.38 -1.51 -1.31 7.08 0.02 -1.26 -4.90 135.00 132.74 1drs s PRO 42 Ca 0.10 -0.24 -0.16 0.00 0.02 0.00 0.00 61.00 60.72 1drs s PRO 42 Cb -0.12 -1.58 0.09 0.00 0.02 0.00 0.00 34.50 32.91 1drs s PRO 42 CO 0.02 -3.87 1.78 -2.13 -0.33 0.00 0.00 177.00 172.47 1drs n ARG 43 N -4.84 3.20 -2.19 5.54 3.00 -1.26 -4.96 116.66 115.14 1drs n ARG 43 Ca 0.15 -3.28 -0.26 0.00 -0.00 0.00 0.00 57.85 54.46 1drs n ARG 43 Cb 0.60 -3.34 0.10 0.00 0.00 0.00 0.00 32.46 29.82 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 3.55 1.72 -0.70 5.14 0.00 -1.26 -4.99 107.32 110.77 1drs s GLY 44 Ca 0.50 -1.11 -0.02 0.00 0.00 0.00 0.00 44.72 44.09 1drs s GLY 44 CO 0.03 -0.59 2.05 1.22 0.00 0.00 0.00 173.10 175.81 1drs n ASP 45 N -3.11 7.59 -3.96 1.64 8.00 -1.26 -4.82 116.55 120.63 1drs n ASP 45 Ca 0.11 -3.76 -0.13 0.00 0.71 0.00 0.00 54.79 51.71 1drs n ASP 45 Cb 0.60 -1.02 -0.13 0.00 -0.02 0.00 0.00 41.12 40.56 1drs n ASP 45 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1drs s MET 46 N -3.77 0.32 0.29 -1.24 -1.94 -1.26 -5.16 119.30 106.54 1drs s MET 46 Ca 0.60 -0.33 -0.29 0.00 -1.71 0.00 0.00 55.69 53.95 1drs s MET 46 Cb 0.48 -0.20 -0.10 0.00 2.01 0.00 0.00 34.83 37.02 1drs s MET 46 CO -0.14 0.04 1.22 -1.25 -0.01 0.00 0.00 175.02 174.89 1drs s PRO 47 N -0.63 4.48 -0.14 2.03 0.04 -1.26 -5.04 135.00 134.47 1drs s PRO 47 Ca -0.04 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 62.97 1drs s PRO 47 Cb -0.05 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1drs s PRO 47 CO -0.00 -0.04 0.03 0.20 0.04 0.00 0.00 177.00 177.24 1drs s GLY 48 N -0.49 1.88 1.01 0.56 0.00 -1.26 -5.13 107.32 103.90 1drs s GLY 48 Ca 0.48 -0.76 -0.15 0.00 0.00 0.00 0.00 44.72 44.29 1drs s GLY 48 CO 0.45 -0.20 1.15 2.56 0.00 0.00 0.00 173.10 177.06 1drs s PRO 49 N -0.16 0.29 -0.04 2.90 0.04 -1.26 -5.07 135.00 131.70 1drs s PRO 49 Ca 0.06 0.14 -0.10 0.00 0.04 0.00 0.00 61.00 61.14 1drs s PRO 49 Cb -0.12 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1drs s PRO 49 CO 0.02 -2.74 0.29 1.52 0.04 0.00 0.00 177.00 176.13 1drs s TYR 50 N -3.23 3.65 0.33 0.56 -0.85 -1.20 -4.95 117.35 111.67 1drs s TYR 50 Ca 0.67 0.75 0.07 0.00 -0.52 0.00 0.00 57.07 58.05 1drs s TYR 50 Cb -0.13 -2.11 -0.07 0.00 0.38 0.00 0.00 41.96 40.04 1drs s TYR 50 CO 0.55 0.67 -0.04 0.00 -1.52 0.00 0.00 175.55 175.21 1drs n GLU 53 N -0.11 2.75 -4.36 0.00 0.00 -1.26 -1.96 120.64 115.70 1drs n GLU 53 Ca -0.10 -3.82 -0.19 0.00 0.00 0.00 0.00 57.16 53.06 1drs n GLU 53 Cb 0.62 -1.94 -0.09 0.00 0.00 0.00 0.00 31.44 30.03 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 -3.56 1.64 -0.14 -1.84 0.15 -1.26 -5.00 113.70 103.69 1drs s SER 54 Ca 0.42 -1.52 -0.29 0.00 0.70 0.00 0.00 55.95 55.26 1drs s SER 54 Cb 0.38 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.99 1drs s SER 54 CO -0.00 -0.84 1.33 -0.62 1.20 0.00 0.00 173.24 174.31 1drs s ASP 55 N -3.39 6.90 0.00 5.45 2.15 -1.26 -4.36 116.67 122.16 1drs s ASP 55 Ca 0.35 1.80 0.00 0.00 0.43 0.00 0.00 52.55 55.13 1drs s ASP 55 Cb 0.06 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1drs s ASP 55 CO 0.16 -0.78 0.00 0.29 -0.17 0.00 0.00 175.17 174.67 1drs n LYS 56 N 6.64 0.00 -3.17 4.34 4.01 -0.90 -4.65 118.16 124.43 1drs n LYS 56 Ca 0.14 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.80 1drs n LYS 56 Cb 0.44 0.00 0.07 0.00 -0.51 0.00 0.00 35.03 35.03 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 -3.14 -6.25 0.00 0.00 5.15 -1.26 -5.07 115.26 104.68 1drs n ASN 58 Ca -0.07 0.91 0.00 0.00 -0.60 0.00 0.00 54.58 54.82 1drs n ASN 58 Cb 0.61 -4.08 0.00 0.00 -0.53 0.00 0.00 39.78 35.79 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84