#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 1.87 -0.06 8.89 1.01 -1.26 -0.67 121.20 130.98 1drs s ILE 2 Ca 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.72 1drs s ILE 2 Cb 0.00 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.85 1drs s ILE 2 CO 0.00 0.52 0.15 0.00 0.00 0.00 0.00 174.94 175.61 1drs s TYR 4 N 0.68 3.35 -0.37 0.00 2.02 -1.26 -1.46 117.35 120.31 1drs s TYR 4 Ca -0.05 1.48 0.12 0.00 -0.37 0.00 0.00 57.07 58.25 1drs s TYR 4 Cb -0.07 -2.84 0.35 0.00 -0.40 0.00 0.00 41.96 39.01 1drs s TYR 4 CO -0.03 -0.51 0.74 -1.71 -1.57 0.00 0.00 175.55 172.47 1drs n ASN 5 N -1.61 0.90 -1.27 2.29 5.15 -1.04 -3.70 115.26 115.98 1drs n ASN 5 Ca 0.07 -3.01 0.00 0.00 -0.60 0.00 0.00 54.58 51.04 1drs n ASN 5 Cb 0.54 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.17 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1drs n HIS 6 N 0.26 -1.65 -2.76 1.20 8.25 -1.21 -4.68 115.22 114.63 1drs n HIS 6 Ca 0.25 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.76 1drs n HIS 6 Cb 0.66 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.76 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 -0.98 -4.50 117.00 118.70 1drs n LEU 7 Ca 0.00 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1drs n LEU 7 Cb 0.00 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 39.83 1drs n LEU 7 CO 0.00 -1.27 0.00 0.61 -1.33 0.00 0.00 177.39 175.40 1drs n GLY 8 N -1.43 2.20 0.00 -0.72 0.00 -1.26 -3.70 105.19 100.29 1drs n GLY 8 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.44 2.61 -1.04 -1.26 -5.11 114.28 106.04 1drs n THR 9 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1drs n THR 9 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 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 -1.26 2.75 0.00 -2.82 -0.14 -1.24 -5.03 119.74 112.00 1drs s LYS 10 Ca 0.00 -1.68 0.19 0.00 -1.36 0.00 0.00 55.97 53.12 1drs s LYS 10 Cb 0.00 -4.09 0.58 0.00 -1.68 0.00 0.00 37.83 32.64 1drs s LYS 10 CO 0.00 -1.22 1.45 -0.35 -0.76 0.00 0.00 175.35 174.47 1drs n PRO 11 N 5.08 1.93 0.15 -1.68 -0.04 -1.26 -2.33 135.00 136.86 1drs n PRO 11 Ca -0.11 -1.42 0.07 0.00 -0.04 0.00 0.00 63.50 62.00 1drs n PRO 11 Cb 0.41 -1.39 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.66 0.00 -6.61 0.54 0.11 -1.95 -3.40 132.00 123.34 1drs h PRO 12 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 1drs h PRO 12 Cb 0.59 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 1drs h PRO 12 CO 0.00 0.21 0.10 0.95 -0.21 0.00 0.00 178.00 179.05 1drs s THR 13 N -3.12 4.61 -0.01 -1.15 -4.23 -1.26 -5.03 115.64 105.46 1drs s THR 13 Ca 0.04 1.16 0.02 0.00 -1.18 0.00 0.00 61.69 61.72 1drs s THR 13 Cb 0.07 -3.77 -0.00 0.00 1.34 0.00 0.00 72.50 70.14 1drs s THR 13 CO 0.73 0.08 -0.06 0.42 -0.54 0.00 0.00 174.62 175.25 1drs s THR 14 N -1.67 0.50 -0.55 3.99 -4.23 -1.26 -2.50 115.64 109.91 1drs s THR 14 Ca 0.46 -0.24 -0.18 0.00 -1.18 0.00 0.00 61.69 60.56 1drs s THR 14 Cb -0.14 -0.44 0.10 0.00 1.34 0.00 0.00 72.50 73.36 1drs s THR 14 CO 0.20 0.15 0.61 -1.61 -0.54 0.00 0.00 174.62 173.44 1drs s GLU 15 N 0.04 3.04 -1.11 3.99 2.02 -0.54 -4.91 118.70 121.23 1drs s GLU 15 Ca -0.00 -1.35 -0.20 0.00 0.02 0.00 0.00 54.97 53.44 1drs s GLU 15 Cb -0.05 -4.24 0.08 0.00 0.10 0.00 0.00 34.13 30.03 1drs s GLU 15 CO -0.00 -1.39 1.49 0.99 0.02 0.00 0.00 175.26 176.36 1drs s THR 16 N 2.32 4.24 0.23 3.63 2.01 -1.26 -2.26 115.64 124.55 1drs s THR 16 Ca 0.09 -1.46 0.11 0.00 0.31 0.00 0.00 61.69 60.74 1drs s THR 16 Cb -0.25 -5.04 -0.04 0.00 0.01 0.00 0.00 72.50 67.18 1drs s THR 16 CO 0.06 -1.86 -0.15 0.00 -0.69 0.00 0.00 174.62 171.98 1drs n GLN 18 N -0.23 2.33 -2.82 0.00 6.02 -1.26 0.95 117.38 122.36 1drs n GLN 18 Ca -0.09 -2.01 -0.36 0.00 -0.01 0.00 0.00 57.00 54.54 1drs n GLN 18 Cb 0.57 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.55 4.45 0.00 -1.09 0.41 -1.26 -4.92 118.70 114.75 1drs s GLU 19 Ca 0.37 1.22 0.00 0.00 -0.41 0.00 0.00 54.97 56.15 1drs s GLU 19 Cb 0.21 -2.63 0.00 0.00 -1.78 0.00 0.00 34.13 29.94 1drs s GLU 19 CO 0.30 0.20 0.65 -0.25 -0.49 0.00 0.00 175.26 175.67 1drs n ASP 20 N 0.22 0.00 -3.57 -0.19 9.92 -1.26 -4.69 116.55 116.98 1drs n ASP 20 Ca 0.03 0.18 -0.15 0.00 -0.53 0.00 0.00 54.79 54.31 1drs n ASP 20 Cb 0.51 -0.18 -0.06 0.00 -0.64 0.00 0.00 41.12 40.75 1drs n ASP 20 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1drs s SER 21 N -2.29 -0.64 0.05 -2.24 0.15 -1.26 -4.71 113.70 102.75 1drs s SER 21 Ca 0.00 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1drs s SER 21 Cb 0.00 0.82 -0.03 0.00 -1.71 0.00 0.00 66.02 65.10 1drs s SER 21 CO 0.00 -0.44 -0.04 0.00 1.20 0.00 0.00 173.24 173.96 1drs s TYR 23 N -2.98 2.32 -0.32 0.00 -0.85 -0.39 -1.10 117.35 114.02 1drs s TYR 23 Ca 0.00 -0.38 -0.04 0.00 -0.52 0.00 0.00 57.07 56.13 1drs s TYR 23 Cb 0.01 -1.28 0.04 0.00 0.38 0.00 0.00 41.96 41.12 1drs s TYR 23 CO -0.06 0.31 0.06 0.21 -1.52 0.00 0.00 175.55 174.55 1drs s LYS 24 N -1.94 2.53 -0.23 -3.49 2.20 -0.60 -2.68 119.74 115.54 1drs s LYS 24 Ca 0.14 -1.22 -0.02 0.00 -0.36 0.00 0.00 55.97 54.51 1drs s LYS 24 Cb -0.10 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1drs s LYS 24 CO 0.06 -0.65 -0.08 1.21 -0.36 0.00 0.00 175.35 175.53 1drs s ASN 25 N 1.34 4.14 0.00 1.43 2.47 -1.26 -2.91 114.94 120.15 1drs s ASN 25 Ca -0.03 -0.75 0.00 0.00 0.42 0.00 0.00 52.86 52.50 1drs s ASN 25 Cb -0.20 -1.65 0.00 0.00 -1.45 0.00 0.00 41.25 37.95 1drs s ASN 25 CO 0.01 -0.09 0.85 2.30 -3.72 0.00 0.00 177.10 176.45 1drs n ILE 26 N 4.69 0.71 0.00 -5.21 -6.64 -1.25 -2.03 119.36 109.62 1drs n ILE 26 Ca -0.17 -0.84 0.00 0.00 -1.77 0.00 0.00 62.75 59.97 1drs n ILE 26 Cb 0.48 0.66 0.00 0.00 -1.44 0.00 0.00 39.64 39.34 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 -0.35 0.00 0.00 4.28 2.14 -1.04 -3.95 117.44 118.51 1drs n TRP 27 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1drs n TRP 27 Cb 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.69 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 -0.67 0.00 0.00 -1.67 5.66 -1.26 -1.66 114.28 114.69 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 0.00 -1.47 0.93 1.09 7.35 -1.26 -4.94 117.46 119.16 1drs n PHE 29 Ca 0.00 0.01 0.01 0.00 -0.76 0.00 0.00 57.45 56.71 1drs n PHE 29 Cb 0.00 0.32 0.03 0.00 0.35 0.00 0.00 39.48 40.19 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 -2.58 0.00 -3.15 -2.13 5.75 -1.26 -4.89 116.55 108.29 1drs n ASP 30 Ca 0.00 -0.89 -0.06 0.00 -0.01 0.00 0.00 54.79 53.83 1drs n ASP 30 Cb 0.00 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 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 -0.54 -7.32 -3.89 -1.12 3.02 -1.03 -5.03 115.26 99.34 1drs n ASN 31 Ca 0.01 -0.32 -0.09 0.00 -0.03 0.00 0.00 54.58 54.14 1drs n ASN 31 Cb 0.00 -5.19 -0.06 0.00 -0.61 0.00 0.00 39.78 33.92 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 -3.14 0.06 -0.61 2.41 1.10 -0.66 -4.97 121.20 115.39 1drs s ILE 32 Ca 0.17 -1.21 -0.11 0.00 -0.51 0.00 0.00 60.65 58.99 1drs s ILE 32 Cb -0.02 -1.74 0.16 0.00 0.15 0.00 0.00 42.46 41.00 1drs s ILE 32 CO 0.75 -0.27 0.51 -0.63 -2.11 0.00 0.00 174.94 173.19 1drs s ILE 33 N -3.94 4.72 -0.07 2.00 1.09 -1.26 -2.50 121.20 121.25 1drs s ILE 33 Ca 0.14 -2.12 -0.03 0.00 -1.10 0.00 0.00 60.65 57.54 1drs s ILE 33 Cb 0.02 -4.02 0.04 0.00 -1.06 0.00 0.00 42.46 37.44 1drs s ILE 33 CO -0.01 -0.88 0.09 -0.60 -0.10 0.00 0.00 174.94 173.43 1drs s ARG 34 N 0.83 -0.03 0.04 2.79 3.52 -0.86 -4.55 118.95 120.68 1drs s ARG 34 Ca 0.10 0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 56.06 1drs s ARG 34 Cb -0.21 -0.63 0.00 0.00 -1.56 0.00 0.00 34.95 32.55 1drs s ARG 34 CO -0.03 -0.37 0.06 2.89 -0.81 0.00 0.00 175.30 177.04 1drs n ARG 35 N 5.30 0.09 -3.86 5.12 -4.01 -1.24 -4.45 116.66 113.62 1drs n ARG 35 Ca -0.04 -0.27 0.04 0.00 -1.04 0.00 0.00 57.85 56.54 1drs n ARG 35 Cb 0.50 0.29 0.01 0.00 -3.04 0.00 0.00 32.46 30.21 1drs n ARG 35 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 1drs s GLY 36 N -1.23 -0.32 -0.67 2.89 0.00 -1.09 -4.11 107.32 102.79 1drs s GLY 36 Ca 0.03 0.46 -0.26 0.00 0.00 0.00 0.00 44.72 44.95 1drs s GLY 36 CO 0.02 4.43 1.14 0.00 0.00 0.00 0.00 173.10 178.70 1drs n GLY 38 N 5.28 0.57 5.94 0.00 0.00 -0.97 -4.92 105.19 111.10 1drs n GLY 38 Ca 0.02 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 10.19 -0.88 -4.07 0.00 3.72 -1.26 -5.02 117.46 120.14 1drs n PHE 40 Ca 0.00 0.14 -0.32 0.00 -0.05 0.00 0.00 57.45 57.22 1drs n PHE 40 Cb 0.00 -3.01 -0.15 0.00 -0.94 0.00 0.00 39.48 35.38 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 2.16 -0.36 4.37 -1.32 -1.26 -5.08 115.64 111.38 1drs s THR 41 Ca 0.08 -1.62 -0.39 0.00 -1.21 0.00 0.00 61.69 58.55 1drs s THR 41 Cb -0.04 -2.27 -0.15 0.00 -1.51 0.00 0.00 72.50 68.54 1drs s THR 41 CO 0.10 -0.02 1.99 -2.65 -2.21 0.00 0.00 174.62 171.83 1drs n PRO 42 N 4.44 0.87 -2.41 7.08 -0.02 -1.26 -4.82 135.00 138.87 1drs n PRO 42 Ca -0.14 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.19 1drs n PRO 42 Cb 0.42 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 6.87 3.35 -2.63 -0.52 3.00 -1.26 -4.44 116.66 121.03 1drs n ARG 43 Ca 0.38 -3.40 -0.39 0.00 -0.00 0.00 0.00 57.85 54.44 1drs n ARG 43 Cb 0.13 -3.10 0.01 0.00 0.00 0.00 0.00 32.46 29.50 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 3.74 6.04 4.15 5.14 0.00 -1.26 -4.72 105.19 118.28 1drs n GLY 44 Ca 0.43 -2.60 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.12 0.04 -4.96 1.61 8.00 -1.26 -5.02 116.55 114.84 1drs n ASP 45 Ca 0.45 -1.14 -0.22 0.00 0.71 0.00 0.00 54.79 54.60 1drs n ASP 45 Cb 0.28 -2.33 -0.01 0.00 -0.02 0.00 0.00 41.12 39.04 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 -6.97 3.32 0.05 -1.24 -1.94 -1.26 -5.05 119.30 106.21 1drs s MET 46 Ca 0.07 -0.66 -0.34 0.00 -1.71 0.00 0.00 55.69 53.05 1drs s MET 46 Cb -0.04 -2.76 -0.13 0.00 2.01 0.00 0.00 34.83 33.90 1drs s MET 46 CO 0.95 0.17 1.69 -0.35 -0.01 0.00 0.00 175.02 177.46 1drs n PRO 47 N -1.67 2.07 0.00 2.03 -0.04 -1.26 -4.83 135.00 131.31 1drs n PRO 47 Ca -0.04 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 1drs n PRO 47 Cb 0.57 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1drs n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1drs n GLY 48 N 3.77 3.52 3.89 0.55 0.00 -1.26 -4.98 105.19 110.67 1drs n GLY 48 Ca 0.19 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1drs n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1drs s PRO 49 N -2.29 1.83 0.07 1.61 0.04 -1.26 -5.01 135.00 129.98 1drs s PRO 49 Ca 0.00 0.13 -0.31 0.00 0.04 0.00 0.00 61.00 60.86 1drs s PRO 49 Cb 0.00 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1drs s PRO 49 CO 0.00 -1.69 1.26 1.52 0.04 0.00 0.00 177.00 178.13 1drs s TYR 50 N -3.54 3.36 -0.10 0.56 -0.85 -1.15 -4.90 117.35 110.73 1drs s TYR 50 Ca 0.62 1.18 0.03 0.00 -0.52 0.00 0.00 57.07 58.38 1drs s TYR 50 Cb -0.11 -3.51 0.01 0.00 0.38 0.00 0.00 41.96 38.73 1drs s TYR 50 CO 0.50 -1.64 -0.19 0.00 -1.52 0.00 0.00 175.55 172.70 1drs n GLU 53 N -0.96 2.05 -3.74 0.00 0.28 -1.26 -1.15 120.64 115.85 1drs n GLU 53 Ca -0.08 -3.96 -0.11 0.00 -0.16 0.00 0.00 57.16 52.85 1drs n GLU 53 Cb 0.67 -1.85 -0.07 0.00 1.43 0.00 0.00 31.44 31.62 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 -3.05 -0.13 0.15 -1.84 0.15 -1.26 -5.00 113.70 102.72 1drs s SER 54 Ca 0.41 -0.21 -0.31 0.00 0.70 0.00 0.00 55.95 56.53 1drs s SER 54 Cb 0.36 0.37 -0.10 0.00 -1.71 0.00 0.00 66.02 64.95 1drs s SER 54 CO -0.09 -0.64 1.58 -0.62 1.20 0.00 0.00 173.24 174.66 1drs s ASP 55 N -2.16 6.60 0.00 5.45 2.15 -1.26 -3.72 116.67 123.73 1drs s ASP 55 Ca -0.04 2.59 0.00 0.00 0.43 0.00 0.00 52.55 55.53 1drs s ASP 55 Cb -0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1drs s ASP 55 CO -0.04 -0.83 0.00 0.29 -0.17 0.00 0.00 175.17 174.42 1drs n LYS 56 N 4.24 0.00 -2.97 4.34 4.76 -1.07 -4.70 118.16 122.77 1drs n LYS 56 Ca 0.14 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.53 1drs n LYS 56 Cb 0.39 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.61 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 -2.25 -2.68 0.00 0.00 5.15 -1.26 -4.96 115.26 109.26 1drs n ASN 58 Ca -0.03 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1drs n ASN 58 Cb 0.54 -1.19 0.00 0.00 -0.53 0.00 0.00 39.78 38.60 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55