#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 5.43 0.04 5.15 1.01 -1.26 -2.42 121.20 129.15 1drs s ILE 2 Ca 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.81 1drs s ILE 2 Cb 0.00 -3.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.00 1drs s ILE 2 CO 0.00 0.51 0.15 0.00 0.00 0.00 0.00 174.94 175.59 1drs s TYR 4 N -2.73 2.55 -0.42 0.00 2.02 -1.26 -1.26 117.35 116.26 1drs s TYR 4 Ca -0.04 1.55 0.09 0.00 -0.37 0.00 0.00 57.07 58.30 1drs s TYR 4 Cb -0.00 -3.28 0.34 0.00 -0.40 0.00 0.00 41.96 38.62 1drs s TYR 4 CO -0.05 -1.80 1.01 -1.71 -1.57 0.00 0.00 175.55 171.43 1drs n ASN 5 N -1.92 -1.09 -0.12 2.29 2.85 -1.07 -4.00 115.26 112.20 1drs n ASN 5 Ca 0.12 -3.32 0.00 0.00 -0.11 0.00 0.00 54.58 51.27 1drs n ASN 5 Cb 0.51 0.90 0.00 0.00 1.24 0.00 0.00 39.78 42.44 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 0.22 0.00 -2.70 1.20 8.25 -1.18 -4.74 115.22 116.28 1drs n HIS 6 Ca 0.11 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.65 1drs n HIS 6 Cb 0.71 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.80 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 -0.79 -4.71 117.00 118.22 1drs n LEU 7 Ca 0.00 0.62 0.00 0.00 -0.02 0.00 0.00 56.01 56.61 1drs n LEU 7 Cb 0.00 -1.75 0.00 0.00 -1.62 0.00 0.00 43.42 40.05 1drs n LEU 7 CO 0.00 -1.63 0.00 0.61 -1.22 0.00 0.00 177.39 175.15 1drs n GLY 8 N -1.85 1.85 0.24 -0.72 0.00 -1.26 -3.40 105.19 100.05 1drs n GLY 8 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.94 2.61 -1.04 -1.26 -5.12 114.28 105.53 1drs n THR 9 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1drs n THR 9 Cb 0.00 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 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 -1.25 2.33 0.00 -2.82 1.02 -1.22 -5.05 119.74 112.76 1drs s LYS 10 Ca 0.00 -1.34 0.22 0.00 0.02 0.00 0.00 55.97 54.87 1drs s LYS 10 Cb 0.00 -3.15 1.10 0.00 -0.52 0.00 0.00 37.83 35.26 1drs s LYS 10 CO 0.00 -0.65 1.73 -2.30 -0.92 0.00 0.00 175.35 173.21 1drs n PRO 11 N 4.57 1.29 0.09 -1.68 -0.02 -1.26 -1.89 135.00 136.09 1drs n PRO 11 Ca -0.12 -0.43 0.11 0.00 -2.02 0.00 0.00 63.50 61.04 1drs n PRO 11 Cb 0.43 -1.37 0.45 0.00 -0.02 0.00 0.00 33.50 32.99 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 -0.38 0.15 -4.30 0.52 -0.02 -1.26 -4.56 135.00 125.15 1drs n PRO 12 Ca 0.16 0.32 -0.24 0.00 -2.02 0.00 0.00 63.50 61.71 1drs n PRO 12 Cb 0.18 -1.75 -0.08 0.00 -0.02 0.00 0.00 33.50 31.83 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 -3.18 3.34 0.03 3.45 -4.23 -1.26 -5.06 115.64 108.73 1drs s THR 13 Ca 0.07 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1drs s THR 13 Cb 0.11 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1drs s THR 13 CO 0.41 -0.27 -0.10 0.42 -0.54 0.00 0.00 174.62 174.53 1drs s THR 14 N -2.10 0.76 -0.62 3.99 -4.23 -1.26 -2.61 115.64 109.57 1drs s THR 14 Ca 0.29 -0.87 -0.07 0.00 -1.18 0.00 0.00 61.69 59.85 1drs s THR 14 Cb -0.07 -0.73 0.16 0.00 1.34 0.00 0.00 72.50 73.20 1drs s THR 14 CO 0.18 -0.12 0.49 -0.70 -0.54 0.00 0.00 174.62 173.93 1drs s GLU 15 N -1.10 2.78 -0.68 3.99 2.12 -0.39 -4.89 118.70 120.54 1drs s GLU 15 Ca -0.03 -2.27 -0.27 0.00 0.36 0.00 0.00 54.97 52.77 1drs s GLU 15 Cb -0.07 -3.96 -0.00 0.00 0.26 0.00 0.00 34.13 30.35 1drs s GLU 15 CO 0.01 -1.21 1.65 0.99 -0.54 0.00 0.00 175.26 176.16 1drs s THR 16 N 0.45 3.50 0.18 -1.70 2.01 -1.26 -2.69 115.64 116.13 1drs s THR 16 Ca 0.14 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.45 1drs s THR 16 Cb -0.20 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 1drs s THR 16 CO -0.04 -1.27 -0.17 0.00 -0.69 0.00 0.00 174.62 172.45 1drs n GLN 18 N 0.04 0.02 -2.30 0.00 0.00 -1.26 -0.05 117.38 113.84 1drs n GLN 18 Ca -0.11 -0.02 -0.42 0.00 0.00 0.00 0.00 57.00 56.45 1drs n GLN 18 Cb 0.58 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.29 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 -2.99 4.36 0.00 2.61 8.01 -1.26 -4.61 118.70 124.81 1drs s GLU 19 Ca 0.11 1.91 0.03 0.00 0.01 0.00 0.00 54.97 57.02 1drs s GLU 19 Cb 0.17 -3.38 0.15 0.00 -4.31 0.00 0.00 34.13 26.77 1drs s GLU 19 CO 0.73 -0.40 0.45 -0.25 0.01 0.00 0.00 175.26 175.80 1drs n ASP 20 N 4.33 0.00 -3.52 -0.19 8.00 -1.26 -0.52 116.55 123.38 1drs n ASP 20 Ca 0.11 -0.32 -0.17 0.00 0.71 0.00 0.00 54.79 55.12 1drs n ASP 20 Cb 0.44 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.49 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 -1.88 -0.63 0.01 -2.24 0.01 -1.26 -4.81 113.70 102.90 1drs s SER 21 Ca 0.04 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1drs s SER 21 Cb 0.02 0.51 -0.01 0.00 0.21 0.00 0.00 66.02 66.75 1drs s SER 21 CO 0.03 -0.59 -0.03 0.00 0.41 0.00 0.00 173.24 173.06 1drs s TYR 23 N -0.80 2.37 -0.22 0.00 -0.85 -0.40 -2.35 117.35 115.10 1drs s TYR 23 Ca -0.08 -0.31 -0.07 0.00 -0.52 0.00 0.00 57.07 56.09 1drs s TYR 23 Cb -0.06 -1.05 -0.03 0.00 0.38 0.00 0.00 41.96 41.21 1drs s TYR 23 CO -0.00 0.68 0.06 0.15 -1.52 0.00 0.00 175.55 174.92 1drs s LYS 24 N -3.46 3.75 -0.17 -3.49 1.02 -0.08 -2.67 119.74 114.65 1drs s LYS 24 Ca 0.29 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.85 1drs s LYS 24 Cb -0.06 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1drs s LYS 24 CO 0.15 -0.02 -0.18 1.21 -0.92 0.00 0.00 175.35 175.59 1drs s ASN 25 N 1.17 3.32 -0.00 2.83 2.47 -1.26 -2.73 114.94 120.72 1drs s ASN 25 Ca 0.04 -0.59 0.01 0.00 0.42 0.00 0.00 52.86 52.74 1drs s ASN 25 Cb -0.14 -1.51 0.01 0.00 -1.45 0.00 0.00 41.25 38.16 1drs s ASN 25 CO 0.03 0.03 0.88 2.30 -3.72 0.00 0.00 177.10 176.62 1drs n ILE 26 N 4.43 0.06 0.00 -5.21 -6.64 -1.26 -2.42 119.36 108.33 1drs n ILE 26 Ca -0.20 -0.07 0.00 0.00 -1.77 0.00 0.00 62.75 60.70 1drs n ILE 26 Cb 0.51 0.60 0.00 0.00 -1.44 0.00 0.00 39.64 39.31 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 -0.05 0.00 -1.16 4.28 2.14 -1.17 -4.71 117.44 116.77 1drs n TRP 27 Ca 0.00 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.72 1drs n TRP 27 Cb 0.64 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 31.07 1drs n TRP 27 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1drs n THR 28 N 0.00 -0.70 -0.26 -1.67 -1.04 -1.26 -1.77 114.28 107.57 1drs n THR 28 Ca 0.00 0.74 -0.06 0.00 -2.04 0.00 0.00 64.05 62.69 1drs n THR 28 Cb 0.00 -1.13 0.05 0.00 -1.82 0.00 0.00 70.33 67.43 1drs n THR 28 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1drs h PHE 29 N -1.15 1.07 0.00 -1.42 3.57 -2.03 -2.39 116.94 114.59 1drs h PHE 29 Ca -0.15 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1drs h PHE 29 Cb 1.11 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1drs h PHE 29 CO 0.04 0.80 0.00 -0.40 -2.23 0.00 0.00 178.31 176.51 1drs n ASP 30 N -4.39 0.00 -2.91 0.41 5.75 -1.26 -4.95 116.55 109.20 1drs n ASP 30 Ca 0.06 -0.52 -0.00 0.00 -0.01 0.00 0.00 54.79 54.32 1drs n ASP 30 Cb 0.15 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 -1.04 -7.28 -3.73 -1.12 3.02 -0.90 -5.00 115.26 99.21 1drs n ASN 31 Ca 0.14 -0.03 -0.04 0.00 -0.03 0.00 0.00 54.58 54.61 1drs n ASN 31 Cb 0.08 -4.93 -0.01 0.00 -0.61 0.00 0.00 39.78 34.31 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 -2.97 0.00 -0.38 2.41 1.10 -0.73 -5.03 121.20 115.60 1drs s ILE 32 Ca 0.01 -0.61 -0.09 0.00 -0.51 0.00 0.00 60.65 59.46 1drs s ILE 32 Cb -0.00 -1.88 0.05 0.00 0.15 0.00 0.00 42.46 40.78 1drs s ILE 32 CO 0.68 0.00 0.20 -0.63 -2.11 0.00 0.00 174.94 173.08 1drs s ILE 33 N -3.31 4.21 -0.46 2.00 1.09 -1.26 -3.06 121.20 120.43 1drs s ILE 33 Ca 0.11 -1.17 0.07 0.00 -1.10 0.00 0.00 60.65 58.56 1drs s ILE 33 Cb -0.02 -3.46 0.18 0.00 -1.06 0.00 0.00 42.46 38.11 1drs s ILE 33 CO 0.01 -0.34 0.62 -0.60 -0.10 0.00 0.00 174.94 174.54 1drs s ARG 34 N 1.46 0.92 0.22 2.79 3.52 -1.01 -4.71 118.95 122.14 1drs s ARG 34 Ca 0.01 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.78 1drs s ARG 34 Cb -0.21 -0.18 0.01 0.00 -1.56 0.00 0.00 34.95 33.01 1drs s ARG 34 CO 0.04 -1.27 0.05 2.89 -0.81 0.00 0.00 175.30 176.20 1drs n ARG 35 N 3.61 1.39 -3.10 5.12 1.85 -1.26 -4.70 116.66 119.57 1drs n ARG 35 Ca 0.16 -1.54 0.00 0.00 -1.00 0.00 0.00 57.85 55.47 1drs n ARG 35 Cb 0.54 0.35 0.00 0.00 -1.05 0.00 0.00 32.46 32.30 1drs n ARG 35 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1drs n GLY 36 N 2.36 -0.91 3.60 2.89 0.00 -1.09 -4.16 105.19 107.88 1drs n GLY 36 Ca -0.07 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 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 4.60 -1.00 4.48 0.00 0.00 -1.04 -4.92 105.19 107.32 1drs n GLY 38 Ca -0.06 0.60 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 3.67 -4.12 0.00 3.72 -1.26 -4.92 117.46 114.55 1drs n PHE 40 Ca 0.00 -2.94 -0.35 0.00 -0.05 0.00 0.00 57.45 54.12 1drs n PHE 40 Cb 0.00 -2.44 -0.14 0.00 -0.94 0.00 0.00 39.48 35.96 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 2.77 3.46 0.69 4.37 -1.32 -1.26 -5.13 115.64 119.22 1drs s THR 41 Ca 0.47 -0.48 -0.12 0.00 -1.21 0.00 0.00 61.69 60.35 1drs s THR 41 Cb 0.11 -2.55 0.17 0.00 -1.51 0.00 0.00 72.50 68.72 1drs s THR 41 CO -0.04 0.45 0.78 -2.65 -2.21 0.00 0.00 174.62 170.95 1drs n PRO 42 N 4.39 -1.50 -3.89 7.08 -0.02 -1.26 -5.04 135.00 134.76 1drs n PRO 42 Ca -0.18 -1.23 -0.30 0.00 -2.02 0.00 0.00 63.50 59.77 1drs n PRO 42 Cb 0.51 -0.95 -0.15 0.00 -0.02 0.00 0.00 33.50 32.89 1drs n PRO 42 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1drs s ARG 43 N -4.74 1.17 -0.35 -0.52 1.70 -1.26 -4.82 118.95 110.13 1drs s ARG 43 Ca 0.47 -1.44 -0.05 0.00 -0.47 0.00 0.00 55.73 54.24 1drs s ARG 43 Cb -0.03 -2.63 -0.04 0.00 -0.57 0.00 0.00 34.95 31.69 1drs s ARG 43 CO 0.34 -0.92 3.03 0.41 -1.08 0.00 0.00 175.30 177.08 1drs n GLY 44 N 4.55 3.95 3.73 3.88 0.00 -1.26 -4.63 105.19 115.41 1drs n GLY 44 Ca -0.00 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 1drs n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1drs n ASP 45 N 1.44 -2.49 -3.99 1.61 9.92 -1.26 -5.04 116.55 116.74 1drs n ASP 45 Ca 0.48 -0.78 -0.15 0.00 -0.53 0.00 0.00 54.79 53.81 1drs n ASP 45 Cb 0.65 -4.15 -0.13 0.00 -0.64 0.00 0.00 41.12 36.85 1drs n ASP 45 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1drs s MET 46 N -6.12 0.44 0.01 -1.24 -1.94 -1.26 -5.15 119.30 104.04 1drs s MET 46 Ca 0.21 -0.35 -0.30 0.00 -1.71 0.00 0.00 55.69 53.53 1drs s MET 46 Cb -0.10 -0.36 -0.05 0.00 2.01 0.00 0.00 34.83 36.33 1drs s MET 46 CO 0.81 0.09 1.23 -2.14 -0.01 0.00 0.00 175.02 174.99 1drs s PRO 47 N -0.56 4.38 0.48 2.03 0.02 -1.26 -4.73 135.00 135.35 1drs s PRO 47 Ca -0.02 1.77 -0.02 0.00 0.02 0.00 0.00 61.00 62.75 1drs s PRO 47 Cb -0.04 -3.45 -0.01 0.00 0.02 0.00 0.00 34.50 31.02 1drs s PRO 47 CO -0.00 -0.37 0.73 0.20 -0.33 0.00 0.00 177.00 177.23 1drs s GLY 48 N 1.32 1.54 0.46 0.52 0.00 -1.26 -5.13 107.32 104.78 1drs s GLY 48 Ca 0.58 -0.86 -0.08 0.00 0.00 0.00 0.00 44.72 44.37 1drs s GLY 48 CO 0.26 -0.67 0.43 -1.05 0.00 0.00 0.00 173.10 172.07 1drs n PRO 49 N -2.20 -1.68 -4.52 2.90 -0.02 -1.26 -5.12 135.00 123.09 1drs n PRO 49 Ca 0.01 -0.68 -0.25 0.00 -2.02 0.00 0.00 63.50 60.56 1drs n PRO 49 Cb 0.57 -0.62 -0.14 0.00 -0.02 0.00 0.00 33.50 33.30 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 -1.80 1.80 0.35 6.00 1.13 -1.11 -5.00 117.35 118.73 1drs s TYR 50 Ca 0.27 -0.39 0.07 0.00 -1.41 0.00 0.00 57.07 55.61 1drs s TYR 50 Cb -0.02 -1.05 -0.07 0.00 -1.10 0.00 0.00 41.96 39.72 1drs s TYR 50 CO 0.21 0.13 -0.01 0.00 -2.51 0.00 0.00 175.55 173.36 1drs n GLU 53 N -0.12 2.40 -4.29 0.00 0.28 -1.26 -2.08 120.64 115.57 1drs n GLU 53 Ca -0.09 -4.07 -0.16 0.00 -0.16 0.00 0.00 57.16 52.68 1drs n GLU 53 Cb 0.63 -1.89 -0.10 0.00 1.43 0.00 0.00 31.44 31.51 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 -3.25 2.04 -0.25 -1.84 0.15 -1.26 -5.01 113.70 104.28 1drs s SER 54 Ca 0.41 -1.06 -0.29 0.00 0.70 0.00 0.00 55.95 55.72 1drs s SER 54 Cb 0.38 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1drs s SER 54 CO -0.10 -0.32 1.31 -0.62 1.20 0.00 0.00 173.24 174.71 1drs s ASP 55 N -3.24 6.73 0.00 5.45 2.15 -1.26 -3.96 116.67 122.54 1drs s ASP 55 Ca 0.21 1.39 0.00 0.00 0.43 0.00 0.00 52.55 54.58 1drs s ASP 55 Cb 0.02 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1drs s ASP 55 CO 0.04 -0.99 0.00 0.29 -0.17 0.00 0.00 175.17 174.33 1drs n LYS 56 N 7.12 0.00 -2.67 4.34 4.01 -0.85 -4.46 118.16 125.65 1drs n LYS 56 Ca 0.15 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.75 1drs n LYS 56 Cb 0.46 -0.24 0.00 0.00 -0.51 0.00 0.00 35.03 34.74 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 -2.15 0.00 0.00 0.00 5.15 -1.26 -5.10 115.26 111.90 1drs n ASN 58 Ca -0.17 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1drs n ASN 58 Cb 0.64 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55