#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 4.99 0.02 5.15 1.09 -1.26 -2.36 121.20 128.83 1drs s ILE 2 Ca 0.00 0.87 -0.01 0.00 -1.10 0.00 0.00 60.65 60.41 1drs s ILE 2 Cb 0.00 -3.94 -0.02 0.00 -1.06 0.00 0.00 42.46 37.45 1drs s ILE 2 CO 0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 174.94 174.78 1drs s TYR 4 N -1.31 2.47 -0.19 0.00 1.51 -1.26 -1.00 117.35 117.57 1drs s TYR 4 Ca -0.14 1.58 0.20 0.00 -1.01 0.00 0.00 57.07 57.70 1drs s TYR 4 Cb -0.09 -3.15 0.47 0.00 -0.11 0.00 0.00 41.96 39.09 1drs s TYR 4 CO -0.01 -1.91 1.15 0.27 -1.11 0.00 0.00 175.55 173.95 1drs n ASN 5 N -3.13 1.93 -2.84 2.29 6.94 -1.08 -3.70 115.26 115.67 1drs n ASN 5 Ca 0.10 -2.45 -0.13 0.00 -0.02 0.00 0.00 54.58 52.09 1drs n ASN 5 Cb 0.52 -0.41 0.09 0.00 -2.36 0.00 0.00 39.78 37.62 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 -0.35 -3.83 -4.45 -2.53 8.25 -1.25 -4.69 115.22 106.37 1drs n HIS 6 Ca 0.13 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 1drs n HIS 6 Cb 0.92 -0.45 -0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.89 -4.26 117.00 119.03 1drs n LEU 7 Ca 0.07 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1drs n LEU 7 Cb 0.25 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1drs n LEU 7 CO 0.18 -0.90 0.00 0.61 -1.33 0.00 0.00 177.39 175.95 1drs n GLY 8 N -0.10 2.03 0.00 -0.72 0.00 -1.26 -3.31 105.19 101.83 1drs n GLY 8 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.04 2.61 -1.04 -1.26 -5.10 114.28 105.45 1drs n THR 9 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1drs n THR 9 Cb 0.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 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 -0.99 2.80 0.04 -2.82 -0.14 -1.21 -5.07 119.74 112.35 1drs s LYS 10 Ca 0.00 -0.98 0.26 0.00 -1.36 0.00 0.00 55.97 53.89 1drs s LYS 10 Cb 0.00 -2.81 0.70 0.00 -1.68 0.00 0.00 37.83 34.04 1drs s LYS 10 CO 0.00 -0.35 1.57 -2.30 -0.76 0.00 0.00 175.35 173.50 1drs n PRO 11 N 4.61 0.07 0.10 -1.68 -0.02 -1.26 -2.10 135.00 134.72 1drs n PRO 11 Ca -0.18 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.46 1drs n PRO 11 Cb 0.47 -1.56 0.20 0.00 -0.02 0.00 0.00 33.50 32.60 1drs n PRO 11 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1drs h PRO 12 N 0.00 0.00 -6.38 0.52 0.11 -1.97 -3.40 132.00 120.88 1drs h PRO 12 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 1drs h PRO 12 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1drs h PRO 12 CO 0.00 0.00 -0.23 0.95 -0.21 0.00 0.00 178.00 178.51 1drs s THR 13 N -3.19 5.11 0.07 -1.15 -4.23 -1.26 -5.06 115.64 105.93 1drs s THR 13 Ca 0.06 -0.21 0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1drs s THR 13 Cb 0.12 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 1drs s THR 13 CO 0.70 -0.30 -0.12 0.42 -0.54 0.00 0.00 174.62 174.77 1drs s THR 14 N -2.04 0.96 -0.52 3.99 -4.23 -1.26 -2.63 115.64 109.93 1drs s THR 14 Ca 0.41 -1.30 -0.16 0.00 -1.18 0.00 0.00 61.69 59.45 1drs s THR 14 Cb -0.11 -1.01 0.10 0.00 1.34 0.00 0.00 72.50 72.82 1drs s THR 14 CO 0.31 -0.30 0.50 -1.61 -0.54 0.00 0.00 174.62 172.97 1drs s GLU 15 N -1.85 3.01 -0.56 3.99 2.02 -0.17 -4.91 118.70 120.22 1drs s GLU 15 Ca -0.03 -1.45 -0.27 0.00 0.02 0.00 0.00 54.97 53.24 1drs s GLU 15 Cb -0.09 -4.21 -0.00 0.00 0.10 0.00 0.00 34.13 29.92 1drs s GLU 15 CO 0.02 -1.23 1.62 0.99 0.02 0.00 0.00 175.26 176.68 1drs s THR 16 N 1.85 3.58 0.13 3.63 2.01 -1.26 -2.46 115.64 123.12 1drs s THR 16 Ca 0.06 0.45 0.10 0.00 0.31 0.00 0.00 61.69 62.61 1drs s THR 16 Cb -0.26 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 1drs s THR 16 CO 0.06 -1.02 -0.25 0.00 -0.69 0.00 0.00 174.62 172.72 1drs h GLN 18 N 3.83 0.00 -6.64 0.00 7.50 -1.93 0.42 115.11 118.28 1drs h GLN 18 Ca -0.49 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.14 1drs h GLN 18 Cb 1.18 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.73 1drs h GLN 18 CO 0.41 0.00 0.61 -1.21 -1.50 0.00 0.00 178.83 177.13 1drs s GLU 19 N -3.19 4.43 0.40 1.46 8.01 -1.26 -4.61 118.70 123.94 1drs s GLU 19 Ca 0.07 1.95 0.11 0.00 0.01 0.00 0.00 54.97 57.12 1drs s GLU 19 Cb 0.09 -3.23 0.92 0.00 -4.31 0.00 0.00 34.13 27.59 1drs s GLU 19 CO 0.67 -0.20 1.95 -0.44 0.01 0.00 0.00 175.26 177.25 1drs h ASP 20 N 5.57 0.50 -3.95 -0.19 3.32 -1.87 0.39 116.42 120.19 1drs h ASP 20 Ca -0.44 0.01 -0.36 0.00 0.02 0.00 0.00 57.03 56.26 1drs h ASP 20 Cb 1.21 -0.09 -0.14 0.00 0.22 0.00 0.00 39.33 40.53 1drs h ASP 20 CO 0.77 0.30 -0.67 -0.55 -1.72 0.00 0.00 179.24 177.36 1drs s SER 21 N -6.13 1.77 -0.00 6.45 0.15 -1.26 -4.58 113.70 110.10 1drs s SER 21 Ca -0.09 -1.16 -0.12 0.00 0.70 0.00 0.00 55.95 55.28 1drs s SER 21 Cb 0.20 0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.54 1drs s SER 21 CO 0.76 -0.47 0.25 0.00 1.20 0.00 0.00 173.24 174.98 1drs s TYR 23 N -1.46 2.75 -0.33 0.00 -0.85 -0.28 -2.01 117.35 115.16 1drs s TYR 23 Ca -0.13 -0.19 -0.09 0.00 -0.52 0.00 0.00 57.07 56.14 1drs s TYR 23 Cb -0.06 -1.28 0.01 0.00 0.38 0.00 0.00 41.96 41.02 1drs s TYR 23 CO 0.03 0.56 0.15 0.15 -1.52 0.00 0.00 175.55 174.92 1drs s LYS 24 N -3.28 3.03 -0.21 -3.49 -0.14 0.51 -2.46 119.74 113.70 1drs s LYS 24 Ca 0.29 -0.92 -0.01 0.00 -1.36 0.00 0.00 55.97 53.96 1drs s LYS 24 Cb -0.08 -3.58 0.01 0.00 -1.68 0.00 0.00 37.83 32.50 1drs s LYS 24 CO 0.19 -0.55 -0.11 1.21 -0.76 0.00 0.00 175.35 175.33 1drs s ASN 25 N 1.55 3.86 0.00 2.83 2.47 -1.26 -2.38 114.94 122.01 1drs s ASN 25 Ca 0.03 -0.61 0.00 0.00 0.42 0.00 0.00 52.86 52.70 1drs s ASN 25 Cb -0.18 -1.62 0.00 0.00 -1.45 0.00 0.00 41.25 38.00 1drs s ASN 25 CO 0.05 -0.04 0.13 2.30 -3.72 0.00 0.00 177.10 175.83 1drs n ILE 26 N 4.70 0.02 0.00 -5.21 -0.00 -1.26 -2.13 119.36 115.47 1drs n ILE 26 Ca -0.19 -0.08 0.00 0.00 -0.00 0.00 0.00 62.75 62.48 1drs n ILE 26 Cb 0.50 1.74 0.00 0.00 -0.00 0.00 0.00 39.64 41.88 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 -0.01 0.00 -0.89 4.28 2.14 -1.23 -4.07 117.44 117.67 1drs n TRP 27 Ca 0.00 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.66 1drs n TRP 27 Cb 0.25 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.73 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 0.13 -1.67 5.66 -1.26 -1.78 114.28 115.36 1drs n THR 28 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1drs n THR 28 Cb 0.00 -0.22 -0.03 0.00 -1.55 0.00 0.00 70.33 68.53 1drs n THR 28 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1drs h PHE 29 N -0.61 -0.36 -2.40 1.09 3.57 -2.01 -3.41 116.94 112.82 1drs h PHE 29 Ca 0.01 -0.01 -0.58 0.00 3.53 0.00 0.00 57.97 60.92 1drs h PHE 29 Cb 0.60 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1drs h PHE 29 CO 0.00 -0.23 1.35 0.16 -2.23 0.00 0.00 178.31 177.36 1drs s ASP 30 N -4.29 5.77 -0.53 0.41 -4.77 -1.26 -4.89 116.67 107.11 1drs s ASP 30 Ca -0.06 1.61 -0.27 0.00 -3.30 0.00 0.00 52.55 50.53 1drs s ASP 30 Cb 0.01 -2.52 -0.02 0.00 -1.09 0.00 0.00 42.92 39.29 1drs s ASP 30 CO 0.17 -1.75 1.88 0.20 0.70 0.00 0.00 175.17 176.37 1drs s ASN 31 N 6.77 5.37 -0.11 2.11 -0.87 -1.26 -4.85 114.94 122.09 1drs s ASN 31 Ca 0.88 0.63 -0.32 0.00 -1.57 0.00 0.00 52.86 52.47 1drs s ASN 31 Cb -0.28 -2.53 0.12 0.00 -0.02 0.00 0.00 41.25 38.55 1drs s ASN 31 CO 0.34 -2.25 1.08 -0.51 -2.57 0.00 0.00 177.10 173.19 1drs s ILE 32 N 8.75 0.00 -0.30 0.60 1.10 -0.73 -5.04 121.20 125.58 1drs s ILE 32 Ca 0.72 0.00 -0.14 0.00 -0.51 0.00 0.00 60.65 60.73 1drs s ILE 32 Cb -0.15 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.43 1drs s ILE 32 CO 0.24 0.00 0.31 -0.63 -2.11 0.00 0.00 174.94 172.75 1drs s ILE 33 N -2.69 5.22 -0.46 2.00 1.01 -1.26 -3.47 121.20 121.55 1drs s ILE 33 Ca 0.07 0.25 0.07 0.00 0.00 0.00 0.00 60.65 61.05 1drs s ILE 33 Cb -0.01 -3.69 0.18 0.00 0.01 0.00 0.00 42.46 38.96 1drs s ILE 33 CO -0.06 0.10 0.67 -0.60 0.00 0.00 0.00 174.94 175.05 1drs s ARG 34 N 1.94 0.95 0.00 2.79 3.52 -0.91 -4.44 118.95 122.80 1drs s ARG 34 Ca 0.11 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 1drs s ARG 34 Cb -0.16 -0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.23 1drs s ARG 34 CO 0.11 -1.26 0.00 2.89 -0.81 0.00 0.00 175.30 176.23 1drs n ARG 35 N 3.67 2.56 -3.50 5.12 -4.01 -1.25 -4.68 116.66 114.57 1drs n ARG 35 Ca 0.15 0.00 0.03 0.00 -1.04 0.00 0.00 57.85 56.99 1drs n ARG 35 Cb 0.56 0.00 0.01 0.00 -3.04 0.00 0.00 32.46 29.99 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 5.00 0.18 3.69 2.89 0.00 -1.03 -4.05 105.19 111.87 1drs n GLY 36 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 3.44 -2.11 3.28 0.00 0.00 -0.98 -4.87 105.19 103.94 1drs n GLY 38 Ca 0.11 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1drs n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs s PHE 40 N 0.00 3.13 0.05 0.00 -0.12 -1.26 -4.94 117.98 114.84 1drs s PHE 40 Ca 0.00 -1.84 -0.23 0.00 -0.05 0.00 0.00 56.93 54.80 1drs s PHE 40 Cb 0.00 -4.53 -0.06 0.00 -0.63 0.00 0.00 43.02 37.80 1drs s PHE 40 CO 0.00 -1.60 0.71 -0.08 -0.05 0.00 0.00 175.22 174.20 1drs s THR 41 N 2.92 4.73 0.27 -4.49 -1.32 -1.26 -5.09 115.64 111.40 1drs s THR 41 Ca 0.48 1.51 -0.05 0.00 -1.21 0.00 0.00 61.69 62.42 1drs s THR 41 Cb 0.00 -4.06 0.06 0.00 -1.51 0.00 0.00 72.50 67.00 1drs s THR 41 CO 0.03 0.41 0.34 -2.65 -2.21 0.00 0.00 174.62 170.54 1drs n PRO 42 N 2.56 -0.53 -2.02 7.08 -0.02 -1.26 -4.98 135.00 135.83 1drs n PRO 42 Ca -0.05 -0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 60.49 1drs n PRO 42 Cb 0.50 -0.37 -0.03 0.00 -0.02 0.00 0.00 33.50 33.58 1drs n PRO 42 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1drs s ARG 43 N -3.75 4.23 0.40 -0.52 3.52 -1.26 -5.02 118.95 116.55 1drs s ARG 43 Ca 0.20 2.22 0.04 0.00 -0.13 0.00 0.00 55.73 58.06 1drs s ARG 43 Cb -0.01 -3.56 -0.06 0.00 -1.56 0.00 0.00 34.95 29.76 1drs s ARG 43 CO 0.14 -0.68 0.04 0.20 -0.81 0.00 0.00 175.30 174.19 1drs s GLY 44 N 2.17 2.45 -0.31 8.12 0.00 -1.26 -5.06 107.32 113.44 1drs s GLY 44 Ca 0.71 -1.78 0.08 0.00 0.00 0.00 0.00 44.72 43.73 1drs s GLY 44 CO 0.30 -1.98 1.48 1.22 0.00 0.00 0.00 173.10 174.12 1drs n ASP 45 N -0.96 2.65 -3.60 1.64 8.00 -1.26 -4.91 116.55 118.10 1drs n ASP 45 Ca -0.06 -3.80 -0.16 0.00 0.71 0.00 0.00 54.79 51.48 1drs n ASP 45 Cb 0.67 -0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 41.06 1drs n ASP 45 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1drs s MET 46 N -3.28 0.89 0.90 -1.24 0.23 -1.26 -5.18 119.30 110.35 1drs s MET 46 Ca 0.46 0.42 -0.13 0.00 -1.03 0.00 0.00 55.69 55.40 1drs s MET 46 Cb 0.41 0.42 0.04 0.00 -1.53 0.00 0.00 34.83 34.17 1drs s MET 46 CO -0.00 -0.22 0.56 -0.35 -2.03 0.00 0.00 175.02 172.98 1drs n PRO 47 N 1.61 -0.17 -3.63 3.16 -0.04 -1.26 -5.05 135.00 129.62 1drs n PRO 47 Ca -0.18 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 1drs n PRO 47 Cb 0.56 -1.95 -0.02 0.00 -0.04 0.00 0.00 33.50 32.06 1drs n PRO 47 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1drs s GLY 48 N -1.99 1.63 0.79 0.55 0.00 -1.26 -5.09 107.32 101.95 1drs s GLY 48 Ca 0.61 -1.51 -0.10 0.00 0.00 0.00 0.00 44.72 43.71 1drs s GLY 48 CO 0.64 -1.43 1.14 2.56 0.00 0.00 0.00 173.10 176.00 1drs s PRO 49 N -4.10 1.87 0.17 2.90 0.04 -1.26 -5.09 135.00 129.52 1drs s PRO 49 Ca 0.43 -0.11 0.04 0.00 0.04 0.00 0.00 61.00 61.40 1drs s PRO 49 Cb -0.08 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1drs s PRO 49 CO 0.29 -1.58 0.26 1.52 0.04 0.00 0.00 177.00 177.53 1drs s TYR 50 N -3.50 3.40 0.11 0.56 1.13 -1.00 -4.88 117.35 113.16 1drs s TYR 50 Ca 0.63 0.06 0.09 0.00 -1.41 0.00 0.00 57.07 56.44 1drs s TYR 50 Cb -0.10 -1.61 -0.04 0.00 -1.10 0.00 0.00 41.96 39.11 1drs s TYR 50 CO 0.48 0.51 -0.17 0.00 -2.51 0.00 0.00 175.55 173.86 1drs n GLU 53 N 0.83 2.03 -3.56 0.00 -0.00 -1.26 -1.50 120.64 117.18 1drs n GLU 53 Ca -0.18 -4.23 -0.09 0.00 -0.00 0.00 0.00 57.16 52.66 1drs n GLU 53 Cb 0.55 -1.94 -0.02 0.00 -0.00 0.00 0.00 31.44 30.04 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 -2.24 -0.43 0.12 -1.84 0.15 -1.26 -4.99 113.70 103.21 1drs s SER 54 Ca 0.40 -0.16 -0.31 0.00 0.70 0.00 0.00 55.95 56.57 1drs s SER 54 Cb 0.18 0.57 -0.09 0.00 -1.71 0.00 0.00 66.02 64.97 1drs s SER 54 CO -0.06 -0.97 1.64 -0.62 1.20 0.00 0.00 173.24 174.44 1drs s ASP 55 N -2.75 6.57 0.00 5.45 2.15 -1.26 -4.50 116.67 122.33 1drs s ASP 55 Ca 0.05 2.58 0.00 0.00 0.43 0.00 0.00 52.55 55.61 1drs s ASP 55 Cb -0.02 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1drs s ASP 55 CO -0.07 -0.88 0.00 0.29 -0.17 0.00 0.00 175.17 174.35 1drs n LYS 56 N 4.92 0.00 -1.74 4.34 4.76 -0.89 -4.84 118.16 124.72 1drs n LYS 56 Ca 0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1drs n LYS 56 Cb 0.39 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 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 1.44 -6.24 0.00 0.00 3.02 -1.26 -5.13 115.26 107.09 1drs n ASN 58 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1drs n ASN 58 Cb 0.40 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53