#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 4.92 -0.06 0.55 1.09 -1.26 -2.42 121.20 124.02 1drs s ILE 2 Ca 0.00 1.72 -0.05 0.00 -1.10 0.00 0.00 60.65 61.22 1drs s ILE 2 Cb 0.00 -4.17 0.01 0.00 -1.06 0.00 0.00 42.46 37.25 1drs s ILE 2 CO 0.00 0.13 0.15 0.00 -0.10 0.00 0.00 174.94 175.12 1drs s TYR 4 N 0.08 3.30 -0.35 0.00 2.02 -1.26 -2.34 117.35 118.79 1drs s TYR 4 Ca -0.00 0.86 0.14 0.00 -0.37 0.00 0.00 57.07 57.70 1drs s TYR 4 Cb -0.01 -2.91 0.43 0.00 -0.40 0.00 0.00 41.96 39.07 1drs s TYR 4 CO 0.00 -1.01 1.15 -1.71 -1.57 0.00 0.00 175.55 172.41 1drs n ASN 5 N -2.81 -0.10 -1.55 2.29 2.85 -0.74 -4.13 115.26 111.05 1drs n ASN 5 Ca 0.06 -2.56 0.00 0.00 -0.11 0.00 0.00 54.58 51.97 1drs n ASN 5 Cb 0.57 0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.78 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 -0.36 0.00 -3.87 1.20 8.25 -1.04 -4.55 115.22 114.85 1drs n HIS 6 Ca 0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1drs n HIS 6 Cb 0.83 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.93 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 -0.82 -4.79 117.00 118.57 1drs n LEU 7 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1drs n LEU 7 Cb 0.00 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 1drs n LEU 7 CO 0.00 -1.49 0.00 0.61 -1.33 0.00 0.00 177.39 175.18 1drs n GLY 8 N -0.94 2.20 0.00 -0.72 0.00 -1.26 -3.29 105.19 101.18 1drs n GLY 8 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.89 2.61 -1.04 -1.26 -5.09 114.28 105.61 1drs n THR 9 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1drs n THR 9 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 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 3.68 0.00 -2.82 -0.14 -1.21 -5.07 119.74 114.18 1drs s LYS 10 Ca 0.00 -0.48 0.24 0.00 -1.36 0.00 0.00 55.97 54.37 1drs s LYS 10 Cb 0.00 -3.23 0.96 0.00 -1.68 0.00 0.00 37.83 33.88 1drs s LYS 10 CO 0.00 -0.07 1.68 -2.30 -0.76 0.00 0.00 175.35 173.89 1drs n PRO 11 N 4.55 1.61 0.14 -1.68 -0.02 -1.26 -1.95 135.00 136.39 1drs n PRO 11 Ca -0.17 -0.90 0.05 0.00 -2.02 0.00 0.00 63.50 60.47 1drs n PRO 11 Cb 0.52 -1.43 0.04 0.00 -0.02 0.00 0.00 33.50 32.61 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 1.98 0.00 -6.13 0.52 0.11 -1.95 -3.42 132.00 123.10 1drs h PRO 12 Ca 0.00 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.55 1drs h PRO 12 Cb 0.43 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.49 1drs h PRO 12 CO 0.00 0.30 0.19 0.95 -0.21 0.00 0.00 178.00 179.23 1drs s THR 13 N -3.06 4.98 0.02 -1.15 -4.23 -1.26 -5.00 115.64 105.94 1drs s THR 13 Ca 0.03 1.63 0.07 0.00 -1.18 0.00 0.00 61.69 62.25 1drs s THR 13 Cb 0.07 -4.13 -0.02 0.00 1.34 0.00 0.00 72.50 69.76 1drs s THR 13 CO 0.74 0.21 -0.22 0.42 -0.54 0.00 0.00 174.62 175.23 1drs s THR 14 N 0.96 1.75 -0.38 3.99 -4.23 -1.26 -1.80 115.64 114.68 1drs s THR 14 Ca 0.42 -1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 59.80 1drs s THR 14 Cb -0.19 -1.49 0.10 0.00 1.34 0.00 0.00 72.50 72.26 1drs s THR 14 CO 0.20 0.36 0.16 -1.61 -0.54 0.00 0.00 174.62 173.19 1drs s GLU 15 N -0.88 2.07 -0.04 3.99 2.02 -0.99 -4.91 118.70 119.96 1drs s GLU 15 Ca 0.08 -1.70 -0.30 0.00 0.02 0.00 0.00 54.97 53.07 1drs s GLU 15 Cb -0.09 -3.49 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 1drs s GLU 15 CO 0.01 -0.97 1.52 -0.08 0.02 0.00 0.00 175.26 175.75 1drs s THR 16 N 1.16 3.67 0.03 3.63 -1.32 -1.26 -2.59 115.64 118.96 1drs s THR 16 Ca 0.06 0.93 0.01 0.00 -1.21 0.00 0.00 61.69 61.48 1drs s THR 16 Cb -0.22 -3.60 -0.02 0.00 -1.51 0.00 0.00 72.50 67.15 1drs s THR 16 CO -0.04 -0.05 -0.06 0.00 -2.21 0.00 0.00 174.62 172.27 1drs n GLN 18 N 1.78 0.69 -2.06 0.00 0.00 -1.26 0.67 117.38 117.20 1drs n GLN 18 Ca -0.21 -0.49 -0.43 0.00 0.00 0.00 0.00 57.00 55.87 1drs n GLN 18 Cb 0.55 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 29.28 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 -2.65 3.78 0.00 2.61 0.41 -1.26 -4.70 118.70 116.88 1drs s GLU 19 Ca 0.18 1.73 0.00 0.00 -0.41 0.00 0.00 54.97 56.47 1drs s GLU 19 Cb 0.18 -4.06 0.03 0.00 -1.78 0.00 0.00 34.13 28.50 1drs s GLU 19 CO 0.62 -1.32 0.45 -0.25 -0.49 0.00 0.00 175.26 174.27 1drs n ASP 20 N 8.57 0.00 -3.79 -0.19 8.00 -1.26 -3.11 116.55 124.77 1drs n ASP 20 Ca 0.19 -0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.55 1drs n ASP 20 Cb 0.45 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.45 1drs n ASP 20 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1drs s SER 21 N -2.00 -0.21 0.04 -2.24 1.04 -1.26 -4.69 113.70 104.38 1drs s SER 21 Ca 0.01 0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.77 1drs s SER 21 Cb 0.00 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1drs s SER 21 CO 0.01 -0.22 -0.07 0.00 0.98 0.00 0.00 173.24 173.93 1drs s TYR 23 N -1.37 2.51 -0.23 0.00 -0.85 -0.07 -1.62 117.35 115.72 1drs s TYR 23 Ca -0.10 -0.27 -0.01 0.00 -0.52 0.00 0.00 57.07 56.16 1drs s TYR 23 Cb -0.10 -1.32 0.02 0.00 0.38 0.00 0.00 41.96 40.95 1drs s TYR 23 CO 0.00 0.40 -0.09 0.15 -1.52 0.00 0.00 175.55 174.49 1drs s LYS 24 N -2.23 2.88 -0.30 -3.49 3.01 -0.29 -2.61 119.74 116.71 1drs s LYS 24 Ca 0.18 -0.94 0.01 0.00 -1.01 0.00 0.00 55.97 54.21 1drs s LYS 24 Cb -0.10 -2.90 0.06 0.00 -1.01 0.00 0.00 37.83 33.89 1drs s LYS 24 CO 0.10 -0.35 -0.02 1.21 0.51 0.00 0.00 175.35 176.80 1drs s ASN 25 N 1.32 4.73 -0.06 2.83 2.47 -1.26 -2.56 114.94 122.40 1drs s ASN 25 Ca 0.01 -1.50 0.11 0.00 0.42 0.00 0.00 52.86 51.90 1drs s ASN 25 Cb -0.16 -1.65 -0.16 0.00 -1.45 0.00 0.00 41.25 37.84 1drs s ASN 25 CO -0.06 -0.27 0.14 2.30 -3.72 0.00 0.00 177.10 175.49 1drs n ILE 26 N 4.50 0.39 0.00 -5.21 -0.00 -1.26 -2.41 119.36 115.37 1drs n ILE 26 Ca -0.10 -0.37 0.00 0.00 -0.00 0.00 0.00 62.75 62.28 1drs n ILE 26 Cb 0.42 -0.26 0.00 0.00 -0.00 0.00 0.00 39.64 39.80 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 -2.17 0.00 -0.19 4.28 2.14 -1.25 -3.59 117.44 116.66 1drs n TRP 27 Ca -0.10 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.49 1drs n TRP 27 Cb 0.59 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 31.08 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 -0.15 0.04 -1.67 5.66 -1.26 -0.47 114.28 116.44 1drs n THR 28 Ca 0.00 0.13 -0.11 0.00 -3.05 0.00 0.00 64.05 61.02 1drs n THR 28 Cb 0.00 -0.20 0.01 0.00 -1.55 0.00 0.00 70.33 68.59 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 -0.17 0.60 0.00 1.09 3.57 -2.00 -2.87 116.94 117.16 1drs h PHE 29 Ca -0.02 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1drs h PHE 29 Cb 0.18 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1drs h PHE 29 CO 0.01 1.04 0.00 -0.40 -2.23 0.00 0.00 178.31 176.72 1drs n ASP 30 N -3.84 0.00 -2.73 0.41 5.75 -1.26 -4.97 116.55 109.90 1drs n ASP 30 Ca -0.05 -1.28 -0.00 0.00 -0.01 0.00 0.00 54.79 53.45 1drs n ASP 30 Cb 0.72 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 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 -0.83 -6.55 -3.59 -1.12 3.02 -1.09 -4.98 115.26 100.13 1drs n ASN 31 Ca 0.15 -0.07 -0.06 0.00 -0.03 0.00 0.00 54.58 54.57 1drs n ASN 31 Cb 0.07 -4.39 -0.02 0.00 -0.61 0.00 0.00 39.78 34.83 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 -3.01 0.00 -0.63 2.41 1.10 0.38 -5.02 121.20 116.43 1drs s ILE 32 Ca 0.01 -0.21 -0.25 0.00 -0.51 0.00 0.00 60.65 59.69 1drs s ILE 32 Cb -0.00 -1.35 0.05 0.00 0.15 0.00 0.00 42.46 41.30 1drs s ILE 32 CO 0.59 0.00 1.07 -0.63 -2.11 0.00 0.00 174.94 173.86 1drs s ILE 33 N -3.08 4.15 -0.19 2.00 1.01 -1.24 -3.88 121.20 119.97 1drs s ILE 33 Ca 0.08 0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 1drs s ILE 33 Cb -0.01 -4.70 0.09 0.00 0.01 0.00 0.00 42.46 37.85 1drs s ILE 33 CO -0.05 -1.43 0.24 -0.60 0.00 0.00 0.00 174.94 173.10 1drs s ARG 34 N 4.57 0.20 0.00 2.79 3.52 -1.01 -4.79 118.95 124.23 1drs s ARG 34 Ca 0.31 0.32 0.00 0.00 -0.13 0.00 0.00 55.73 56.23 1drs s ARG 34 Cb -0.12 -0.94 0.00 0.00 -1.56 0.00 0.00 34.95 32.33 1drs s ARG 34 CO 0.16 -0.59 0.00 2.89 -0.81 0.00 0.00 175.30 176.95 1drs n ARG 35 N 5.33 0.00 -3.24 5.12 -4.01 -1.26 -4.62 116.66 113.97 1drs n ARG 35 Ca -0.05 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.76 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 -0.94 3.66 2.89 0.00 -1.07 -4.21 105.19 105.51 1drs n GLY 36 Ca 0.00 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 3.66 -0.68 7.00 0.00 0.00 -1.06 -4.96 105.19 109.15 1drs n GLY 38 Ca 0.04 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.01 -1.87 -2.29 0.00 3.72 -1.26 -4.89 117.46 110.85 1drs n PHE 40 Ca 0.00 0.79 -0.41 0.00 -0.05 0.00 0.00 57.45 57.77 1drs n PHE 40 Cb 0.00 -4.17 -0.03 0.00 -0.94 0.00 0.00 39.48 34.34 1drs n PHE 40 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1drs s THR 41 N -3.70 3.46 -0.05 4.37 -4.23 -1.26 -4.93 115.64 109.30 1drs s THR 41 Ca 0.06 1.16 -0.33 0.00 -1.18 0.00 0.00 61.69 61.40 1drs s THR 41 Cb -0.02 -3.74 -0.11 0.00 1.34 0.00 0.00 72.50 69.97 1drs s THR 41 CO 0.83 0.15 1.92 -2.65 -0.54 0.00 0.00 174.62 174.34 1drs n PRO 42 N 2.96 2.42 -1.99 3.99 -0.02 -1.26 -4.84 135.00 136.26 1drs n PRO 42 Ca 0.07 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 62.02 1drs n PRO 42 Cb 0.44 -2.78 -0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1drs n PRO 42 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1drs n ARG 43 N 7.00 3.99 -1.69 -0.52 3.00 -1.26 -3.96 116.66 123.22 1drs n ARG 43 Ca 0.22 -3.23 -0.30 0.00 -0.00 0.00 0.00 57.85 54.54 1drs n ARG 43 Cb 0.33 -2.81 0.05 0.00 0.00 0.00 0.00 32.46 30.03 1drs n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1drs n GLY 44 N 2.55 6.10 2.77 5.14 0.00 -1.26 -4.87 105.19 115.63 1drs n GLY 44 Ca 0.56 -2.49 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.80 -3.47 -3.93 1.61 9.92 -1.26 -5.05 116.55 113.57 1drs n ASP 45 Ca 0.54 -0.39 -0.30 0.00 -0.53 0.00 0.00 54.79 54.10 1drs n ASP 45 Cb 0.78 -3.59 -0.15 0.00 -0.64 0.00 0.00 41.12 37.51 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 -5.39 1.55 1.00 -1.24 1.75 -1.25 -5.15 119.30 110.56 1drs s MET 46 Ca 0.19 -1.05 -0.17 0.00 -1.25 0.00 0.00 55.69 53.41 1drs s MET 46 Cb -0.09 -2.59 0.22 0.00 2.84 0.00 0.00 34.83 35.22 1drs s MET 46 CO 0.49 -0.65 1.33 -2.14 -0.65 0.00 0.00 175.02 173.40 1drs s PRO 47 N 1.38 0.31 0.39 4.11 0.02 -1.26 -4.74 135.00 135.20 1drs s PRO 47 Ca -0.04 -0.46 -0.10 0.00 0.02 0.00 0.00 61.00 60.42 1drs s PRO 47 Cb -0.19 -1.81 0.04 0.00 0.02 0.00 0.00 34.50 32.56 1drs s PRO 47 CO -0.08 -2.63 0.69 0.20 -0.33 0.00 0.00 177.00 174.85 1drs s GLY 48 N -4.87 0.86 1.13 0.52 0.00 -1.26 -5.06 107.32 98.64 1drs s GLY 48 Ca 0.75 -1.09 -0.18 0.00 0.00 0.00 0.00 44.72 44.20 1drs s GLY 48 CO 0.54 -0.59 0.10 -1.05 0.00 0.00 0.00 173.10 172.10 1drs n PRO 49 N -0.56 -1.86 -2.75 2.90 -0.02 -1.26 -4.95 135.00 126.49 1drs n PRO 49 Ca -0.05 -0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 60.48 1drs n PRO 49 Cb 0.60 -1.70 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 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 -2.22 3.54 -0.08 6.00 1.13 -1.06 -4.87 117.35 119.79 1drs s TYR 50 Ca 0.55 1.54 0.05 0.00 -1.41 0.00 0.00 57.07 57.80 1drs s TYR 50 Cb -0.12 -3.11 -0.01 0.00 -1.10 0.00 0.00 41.96 37.63 1drs s TYR 50 CO 0.63 -0.14 -0.23 0.00 -2.51 0.00 0.00 175.55 173.29 1drs n GLU 53 N -0.64 2.31 -2.70 0.00 0.28 -1.26 -1.10 120.64 117.53 1drs n GLU 53 Ca -0.05 -3.93 -0.07 0.00 -0.16 0.00 0.00 57.16 52.95 1drs n GLU 53 Cb 0.61 -1.79 -0.02 0.00 1.43 0.00 0.00 31.44 31.68 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1drs n SER 54 N -0.25 -0.58 -4.61 -1.84 2.88 -1.26 -4.97 113.62 102.98 1drs n SER 54 Ca 0.25 -1.88 -0.43 0.00 -1.33 0.00 0.00 58.87 55.48 1drs n SER 54 Cb 0.72 1.11 -0.02 0.00 -0.75 0.00 0.00 64.21 65.26 1drs n SER 54 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1drs s ASP 55 N -1.99 6.25 0.00 -3.46 2.15 -1.26 -4.47 116.67 113.89 1drs s ASP 55 Ca 0.14 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.22 1drs s ASP 55 Cb -0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1drs s ASP 55 CO 0.10 -1.45 0.00 0.29 -0.17 0.00 0.00 175.17 173.93 1drs n LYS 56 N 8.05 0.00 -2.67 4.34 4.01 -1.24 -4.76 118.16 125.89 1drs n LYS 56 Ca 0.18 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.91 1drs n LYS 56 Cb 0.47 0.00 0.03 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 -2.35 -7.15 0.00 0.00 5.15 -1.26 -5.02 115.26 104.63 1drs n ASN 58 Ca -0.03 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1drs n ASN 58 Cb 0.56 -4.80 0.00 0.00 -0.53 0.00 0.00 39.78 35.01 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84