#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 4.73 -0.00 0.55 1.09 -1.26 -1.85 121.20 124.46 1drs s ILE 2 Ca 0.00 1.52 -0.05 0.00 -1.10 0.00 0.00 60.65 61.02 1drs s ILE 2 Cb 0.00 -4.22 -0.00 0.00 -1.06 0.00 0.00 42.46 37.18 1drs s ILE 2 CO 0.00 -0.25 0.09 0.00 -0.10 0.00 0.00 174.94 174.68 1drs s TYR 4 N -1.14 1.63 -0.33 0.00 2.02 -1.26 -1.59 117.35 116.68 1drs s TYR 4 Ca -0.12 -0.04 0.16 0.00 -0.37 0.00 0.00 57.07 56.70 1drs s TYR 4 Cb -0.07 -3.40 0.45 0.00 -0.40 0.00 0.00 41.96 38.54 1drs s TYR 4 CO 0.01 -2.04 1.22 0.27 -1.57 0.00 0.00 175.55 173.44 1drs n ASN 5 N -3.17 0.06 -2.60 2.29 6.94 -0.92 -4.33 115.26 113.52 1drs n ASN 5 Ca 0.15 -2.35 0.00 0.00 -0.02 0.00 0.00 54.58 52.36 1drs n ASN 5 Cb 0.60 0.11 0.00 0.00 -2.36 0.00 0.00 39.78 38.13 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 -0.67 -0.99 -4.04 -2.53 8.25 -1.24 -4.76 115.22 109.24 1drs n HIS 6 Ca -0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1drs n HIS 6 Cb 0.83 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.94 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 4.32 -0.61 -4.57 117.00 118.54 1drs n LEU 7 Ca 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1drs n LEU 7 Cb 0.00 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 1drs n LEU 7 CO 0.00 -0.87 0.00 0.61 -1.22 0.00 0.00 177.39 175.91 1drs n GLY 8 N -0.35 2.03 0.94 -0.72 0.00 -1.26 -3.48 105.19 102.35 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 -3.76 2.61 -1.04 -1.26 -5.14 114.28 105.69 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 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 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 -1.92 4.14 0.00 -2.82 1.02 -1.23 -5.06 119.74 113.87 1drs s LYS 10 Ca 0.00 -0.22 0.22 0.00 0.02 0.00 0.00 55.97 55.99 1drs s LYS 10 Cb 0.00 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1drs s LYS 10 CO 0.00 0.32 1.04 -0.35 -0.92 0.00 0.00 175.35 175.45 1drs n PRO 11 N 3.44 0.13 0.10 -1.68 -0.04 -1.26 -1.58 135.00 134.11 1drs n PRO 11 Ca -0.16 -0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.31 1drs n PRO 11 Cb 0.52 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.25 0.00 -7.07 0.54 0.11 -1.97 -3.42 132.00 120.44 1drs h PRO 12 Ca 0.00 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.66 1drs h PRO 12 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1drs h PRO 12 CO 0.00 0.00 0.35 0.95 -0.21 0.00 0.00 178.00 179.09 1drs s THR 13 N -3.21 4.33 0.06 -1.15 -4.23 -1.26 -5.01 115.64 105.17 1drs s THR 13 Ca 0.05 1.42 -0.03 0.00 -1.18 0.00 0.00 61.69 61.95 1drs s THR 13 Cb 0.11 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 1drs s THR 13 CO 0.72 -0.35 0.04 0.42 -0.54 0.00 0.00 174.62 174.91 1drs s THR 14 N -2.20 0.19 -0.28 3.99 -4.23 -1.26 -2.17 115.64 109.67 1drs s THR 14 Ca 0.62 -1.54 -0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1drs s THR 14 Cb -0.10 -1.37 0.09 0.00 1.34 0.00 0.00 72.50 72.45 1drs s THR 14 CO 0.16 -0.85 0.05 -1.61 -0.54 0.00 0.00 174.62 171.83 1drs s GLU 15 N -3.71 0.98 -0.53 3.99 2.02 -0.62 -4.88 118.70 115.95 1drs s GLU 15 Ca 0.05 -1.08 -0.28 0.00 0.02 0.00 0.00 54.97 53.67 1drs s GLU 15 Cb 0.06 -2.29 0.01 0.00 0.10 0.00 0.00 34.13 32.01 1drs s GLU 15 CO -0.10 -0.86 1.39 0.99 0.02 0.00 0.00 175.26 176.71 1drs s THR 16 N 1.51 3.84 0.17 3.63 2.01 -1.26 -2.52 115.64 123.01 1drs s THR 16 Ca 0.05 0.76 0.10 0.00 0.31 0.00 0.00 61.69 62.91 1drs s THR 16 Cb -0.18 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 1drs s THR 16 CO -0.17 -1.09 -0.15 0.00 -0.69 0.00 0.00 174.62 172.52 1drs n GLN 18 N 0.27 2.73 -3.83 0.00 6.02 -1.26 0.11 117.38 121.41 1drs n GLN 18 Ca -0.12 -3.07 -0.36 0.00 -0.01 0.00 0.00 57.00 53.44 1drs n GLN 18 Cb 0.55 -2.04 -0.13 0.00 1.02 0.00 0.00 30.24 29.64 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 -3.12 3.00 0.00 -1.09 2.02 -1.26 -4.94 118.70 113.31 1drs s GLU 19 Ca 0.51 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1drs s GLU 19 Cb 0.43 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1drs s GLU 19 CO 0.08 -0.43 0.38 -0.25 0.02 0.00 0.00 175.26 175.06 1drs n ASP 20 N 4.80 0.00 -3.71 -0.19 8.00 -1.26 -4.00 116.55 120.19 1drs n ASP 20 Ca -0.15 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.23 1drs n ASP 20 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.85 -0.19 0.02 -2.24 0.01 -1.26 -4.88 113.70 103.32 1drs s SER 21 Ca 0.00 -0.17 -0.13 0.00 1.31 0.00 0.00 55.95 56.96 1drs s SER 21 Cb 0.00 0.40 0.02 0.00 0.21 0.00 0.00 66.02 66.65 1drs s SER 21 CO 0.00 -0.68 0.28 0.00 0.41 0.00 0.00 173.24 173.25 1drs s TYR 23 N -2.16 2.78 -0.33 0.00 -0.85 -0.42 -1.64 117.35 114.72 1drs s TYR 23 Ca -0.08 -0.11 -0.12 0.00 -0.52 0.00 0.00 57.07 56.24 1drs s TYR 23 Cb -0.02 -1.57 -0.02 0.00 0.38 0.00 0.00 41.96 40.73 1drs s TYR 23 CO -0.01 0.32 0.23 0.15 -1.52 0.00 0.00 175.55 174.72 1drs s LYS 24 N -1.36 3.51 -0.17 -3.49 1.02 0.26 -2.78 119.74 116.72 1drs s LYS 24 Ca 0.16 -0.63 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 1drs s LYS 24 Cb -0.11 -3.77 -0.00 0.00 -0.52 0.00 0.00 37.83 33.42 1drs s LYS 24 CO 0.06 -0.42 -0.13 1.21 -0.92 0.00 0.00 175.35 175.15 1drs s ASN 25 N 1.71 3.81 0.00 2.83 2.47 -1.26 -2.92 114.94 121.58 1drs s ASN 25 Ca 0.06 -0.45 0.00 0.00 0.42 0.00 0.00 52.86 52.89 1drs s ASN 25 Cb -0.17 -1.61 0.00 0.00 -1.45 0.00 0.00 41.25 38.02 1drs s ASN 25 CO 0.10 0.06 0.04 2.30 -3.72 0.00 0.00 177.10 175.88 1drs n ILE 26 N 4.24 0.00 0.00 -5.21 -0.00 -1.26 -2.50 119.36 114.63 1drs n ILE 26 Ca -0.19 -0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.45 1drs n ILE 26 Cb 0.51 1.28 0.00 0.00 -0.00 0.00 0.00 39.64 41.44 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 -0.14 0.00 -0.36 4.28 2.14 -1.25 -4.07 117.44 118.03 1drs n TRP 27 Ca 0.00 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.61 1drs n TRP 27 Cb 0.07 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.55 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 -0.23 -0.04 -1.67 5.66 -1.26 -1.94 114.28 114.80 1drs n THR 28 Ca 0.00 0.24 -0.05 0.00 -3.05 0.00 0.00 64.05 61.19 1drs n THR 28 Cb 0.00 -0.36 0.16 0.00 -1.55 0.00 0.00 70.33 68.58 1drs n THR 28 CO 0.00 0.00 0.00 2.19 -3.05 0.00 0.00 175.07 174.21 1drs h PHE 29 N -0.35 0.70 -0.00 1.09 -5.15 -2.00 -3.12 116.94 108.10 1drs h PHE 29 Ca -0.05 -0.14 0.00 0.00 -0.20 0.00 0.00 57.97 57.58 1drs h PHE 29 Cb 0.34 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 36.34 1drs h PHE 29 CO 0.01 0.78 -0.14 -0.40 -2.00 0.00 0.00 178.31 176.56 1drs n ASP 30 N -4.13 0.16 -2.18 -0.68 5.75 -1.26 -5.02 116.55 109.19 1drs n ASP 30 Ca 0.00 0.21 -0.04 0.00 -0.01 0.00 0.00 54.79 54.95 1drs n ASP 30 Cb 0.40 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1drs n ASP 30 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1drs n ASN 31 N -1.46 -4.99 -3.47 -1.12 3.02 -1.18 -5.09 115.26 100.97 1drs n ASN 31 Ca 0.07 0.25 -0.13 0.00 -0.03 0.00 0.00 54.58 54.74 1drs n ASN 31 Cb 0.33 -3.21 -0.03 0.00 -0.61 0.00 0.00 39.78 36.26 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 -1.87 0.01 -0.40 2.41 1.10 -0.82 -5.06 121.20 116.57 1drs s ILE 32 Ca 0.12 -0.05 -0.19 0.00 -0.51 0.00 0.00 60.65 60.01 1drs s ILE 32 Cb -0.03 -1.01 0.01 0.00 0.15 0.00 0.00 42.46 41.58 1drs s ILE 32 CO 0.39 -0.03 0.58 -0.63 -2.11 0.00 0.00 174.94 173.14 1drs s ILE 33 N -3.05 4.92 -0.25 2.00 1.01 -1.26 -3.92 121.20 120.66 1drs s ILE 33 Ca -0.02 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 1drs s ILE 33 Cb -0.01 -4.09 0.13 0.00 0.01 0.00 0.00 42.46 38.50 1drs s ILE 33 CO -0.07 -0.42 0.48 -0.60 0.00 0.00 0.00 174.94 174.33 1drs s ARG 34 N 2.60 0.42 0.00 2.79 3.52 -1.04 -4.61 118.95 122.61 1drs s ARG 34 Ca 0.20 0.96 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 1drs s ARG 34 Cb -0.15 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.48 1drs s ARG 34 CO 0.16 -0.41 0.00 2.89 -0.81 0.00 0.00 175.30 177.12 1drs n ARG 35 N 5.40 0.00 -1.61 5.12 -4.01 -1.26 -4.56 116.66 115.74 1drs n ARG 35 Ca -0.06 0.00 -0.01 0.00 -1.04 0.00 0.00 57.85 56.74 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 1.43 3.62 2.89 0.00 -1.12 -4.40 105.19 107.61 1drs n GLY 36 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 4.10 -1.09 4.52 0.00 0.00 -1.10 -4.93 105.19 106.69 1drs n GLY 38 Ca 0.07 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 1.10 -0.36 0.00 0.08 -1.26 -4.94 117.98 112.60 1drs s PHE 40 Ca 0.00 1.33 -0.08 0.00 0.12 0.00 0.00 56.93 58.30 1drs s PHE 40 Cb 0.00 -3.67 0.04 0.00 -0.57 0.00 0.00 43.02 38.83 1drs s PHE 40 CO 0.00 -2.87 0.16 0.95 -0.10 0.00 0.00 175.22 173.35 1drs s THR 41 N 11.30 4.08 -0.87 0.64 -4.23 -1.26 -5.00 115.64 120.30 1drs s THR 41 Ca 0.98 -1.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 1drs s THR 41 Cb -0.20 -3.33 0.10 0.00 1.34 0.00 0.00 72.50 70.41 1drs s THR 41 CO 0.28 -0.25 2.55 -0.81 -0.54 0.00 0.00 174.62 175.85 1drs n PRO 42 N 4.88 3.49 -3.15 3.99 -0.04 -1.26 -4.65 135.00 138.26 1drs n PRO 42 Ca -0.12 -2.95 0.03 0.00 -0.04 0.00 0.00 63.50 60.42 1drs n PRO 42 Cb 0.45 -2.37 -0.00 0.00 -0.04 0.00 0.00 33.50 31.53 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 -1.62 0.62 0.00 0.54 3.52 -1.26 -5.05 118.95 115.71 1drs s ARG 43 Ca 0.56 0.13 0.13 0.00 -0.13 0.00 0.00 55.73 56.41 1drs s ARG 43 Cb 0.29 0.16 0.59 0.00 -1.56 0.00 0.00 34.95 34.43 1drs s ARG 43 CO -0.17 -1.01 1.40 0.41 -0.81 0.00 0.00 175.30 175.13 1drs n GLY 44 N 4.85 -0.44 1.67 8.12 0.00 -1.26 -3.78 105.19 114.35 1drs n GLY 44 Ca 0.08 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.24 3.22 -3.65 1.61 5.75 -1.26 -4.87 116.55 117.10 1drs n ASP 45 Ca 0.10 -3.72 -0.04 0.00 -0.01 0.00 0.00 54.79 51.12 1drs n ASP 45 Cb 0.14 -0.73 -0.06 0.00 -1.03 0.00 0.00 41.12 39.45 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1drs s MET 46 N -3.30 0.50 -0.33 0.11 0.00 -1.25 -5.12 119.30 109.91 1drs s MET 46 Ca 0.51 1.31 -0.29 0.00 0.00 0.00 0.00 55.69 57.22 1drs s MET 46 Cb 0.44 0.69 -0.00 0.00 0.00 0.00 0.00 34.83 35.96 1drs s MET 46 CO 0.04 -0.22 1.43 -1.25 0.00 0.00 0.00 175.02 175.02 1drs s PRO 47 N 2.78 3.74 0.81 4.11 0.04 -1.26 -4.96 135.00 140.26 1drs s PRO 47 Ca -0.05 1.23 -0.10 0.00 0.04 0.00 0.00 61.00 62.12 1drs s PRO 47 Cb -0.12 -3.98 0.08 0.00 0.04 0.00 0.00 34.50 30.52 1drs s PRO 47 CO -0.17 -1.35 1.10 0.20 0.04 0.00 0.00 177.00 176.82 1drs s GLY 48 N 3.65 1.67 0.47 0.56 0.00 -1.26 -4.99 107.32 107.43 1drs s GLY 48 Ca 0.62 0.30 -0.22 0.00 0.00 0.00 0.00 44.72 45.42 1drs s GLY 48 CO 0.28 0.67 0.74 -1.55 0.00 0.00 0.00 173.10 173.24 1drs n PRO 49 N -3.68 0.85 -2.10 2.90 -0.04 -1.26 -4.95 135.00 126.72 1drs n PRO 49 Ca 0.09 0.31 -0.32 0.00 -0.04 0.00 0.00 63.50 63.54 1drs n PRO 49 Cb 0.53 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.46 3.12 0.30 0.54 -0.85 -1.15 -4.73 117.35 113.12 1drs s TYR 50 Ca 0.66 1.49 0.11 0.00 -0.52 0.00 0.00 57.07 58.81 1drs s TYR 50 Cb -0.53 -2.94 -0.05 0.00 0.38 0.00 0.00 41.96 38.81 1drs s TYR 50 CO 0.55 -0.93 -0.13 0.00 -1.52 0.00 0.00 175.55 173.52 1drs n GLU 53 N 3.02 1.88 -2.76 0.00 0.28 -1.26 -2.20 120.64 119.60 1drs n GLU 53 Ca -0.12 -4.03 -0.06 0.00 -0.16 0.00 0.00 57.16 52.79 1drs n GLU 53 Cb 0.59 -1.87 0.03 0.00 1.43 0.00 0.00 31.44 31.62 1drs n GLU 53 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1drs n SER 54 N 0.48 -3.25 0.00 -1.84 7.64 -1.26 -5.06 113.62 110.33 1drs n SER 54 Ca 0.27 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 57.08 1drs n SER 54 Cb 0.51 1.79 0.00 0.00 -1.01 0.00 0.00 64.21 65.50 1drs n SER 54 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1drs n ASP 55 N 2.44 0.00 0.24 6.43 -0.08 -1.26 -2.42 116.55 121.90 1drs n ASP 55 Ca 0.15 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.50 1drs n ASP 55 Cb 0.59 0.00 0.61 0.00 2.34 0.00 0.00 41.12 44.65 1drs n ASP 55 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1drs h LYS 56 N 0.00 0.04 -6.12 -0.67 -0.00 -1.92 -3.44 116.57 104.46 1drs h LYS 56 Ca 0.00 -0.00 -0.41 0.00 -0.00 0.00 0.00 60.65 60.24 1drs h LYS 56 Cb 0.00 -0.01 0.10 0.00 -0.00 0.00 0.00 32.23 32.32 1drs h LYS 56 CO 0.00 0.05 -0.92 0.00 -0.00 0.00 0.00 179.45 178.58 1drs n ASN 58 N -2.77 -6.67 0.00 0.00 4.13 -1.26 -5.06 115.26 103.63 1drs n ASN 58 Ca -0.10 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.81 1drs n ASN 58 Cb 0.60 -3.87 0.00 0.00 -1.54 0.00 0.00 39.78 34.97 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72