#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 4.89 -0.01 5.15 1.01 -1.26 -1.83 121.20 129.15 1drs s ILE 2 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.00 1drs s ILE 2 Cb 0.00 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.43 1drs s ILE 2 CO 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 174.94 174.88 1drs s TYR 4 N 0.31 3.28 -0.21 0.00 2.02 -1.26 -1.83 117.35 119.66 1drs s TYR 4 Ca -0.03 1.39 0.19 0.00 -0.37 0.00 0.00 57.07 58.25 1drs s TYR 4 Cb -0.05 -2.83 0.42 0.00 -0.40 0.00 0.00 41.96 39.10 1drs s TYR 4 CO -0.01 -1.03 1.22 0.27 -1.57 0.00 0.00 175.55 174.44 1drs n ASN 5 N -2.91 0.43 -1.14 2.29 6.94 -1.12 -4.40 115.26 115.35 1drs n ASN 5 Ca 0.07 -2.07 0.00 0.00 -0.02 0.00 0.00 54.58 52.56 1drs n ASN 5 Cb 0.54 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 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 -0.60 0.00 -0.87 -2.53 8.25 -1.17 -4.76 115.22 113.53 1drs n HIS 6 Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 1drs n HIS 6 Cb 0.87 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.95 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 -0.43 0.00 2.41 4.32 -0.84 -4.69 117.00 117.78 1drs n LEU 7 Ca 0.00 0.94 0.00 0.00 -0.02 0.00 0.00 56.01 56.93 1drs n LEU 7 Cb 0.00 -2.63 0.00 0.00 -1.62 0.00 0.00 43.42 39.17 1drs n LEU 7 CO 0.00 -2.36 0.00 0.61 -1.22 0.00 0.00 177.39 174.42 1drs n GLY 8 N -2.95 1.99 1.09 -0.72 0.00 -1.26 -3.48 105.19 99.85 1drs n GLY 8 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.47 2.61 -1.04 -1.26 -5.12 114.28 106.00 1drs n THR 9 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 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 -1.59 4.14 0.00 -2.82 1.02 -1.23 -5.03 119.74 114.23 1drs s LYS 10 Ca 0.00 0.06 0.21 0.00 0.02 0.00 0.00 55.97 56.25 1drs s LYS 10 Cb 0.00 -3.54 0.01 0.00 -0.52 0.00 0.00 37.83 33.78 1drs s LYS 10 CO 0.00 -0.02 1.04 -0.35 -0.92 0.00 0.00 175.35 175.09 1drs n PRO 11 N 4.47 1.45 0.20 -1.68 -0.04 -1.26 -1.98 135.00 136.17 1drs n PRO 11 Ca -0.10 -1.05 0.14 0.00 -0.04 0.00 0.00 63.50 62.44 1drs n PRO 11 Cb 0.51 -1.41 0.48 0.00 -0.04 0.00 0.00 33.50 33.04 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 2.51 0.00 -6.16 0.54 0.11 -1.97 -3.43 132.00 123.60 1drs h PRO 12 Ca 0.00 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.57 1drs h PRO 12 Cb 0.72 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 1drs h PRO 12 CO 0.00 0.00 -0.38 0.95 -0.21 0.00 0.00 178.00 178.36 1drs s THR 13 N -3.39 5.25 0.04 -1.15 -4.23 -1.26 -5.03 115.64 105.86 1drs s THR 13 Ca 0.05 -0.46 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 1drs s THR 13 Cb 0.09 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 1drs s THR 13 CO 0.54 -0.14 -0.08 0.42 -0.54 0.00 0.00 174.62 174.82 1drs s THR 14 N -1.82 0.61 -0.48 3.99 -4.23 -1.26 -2.77 115.64 109.68 1drs s THR 14 Ca 0.37 -1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.75 1drs s THR 14 Cb -0.11 -0.64 0.09 0.00 1.34 0.00 0.00 72.50 73.18 1drs s THR 14 CO 0.29 -0.29 0.39 -0.70 -0.54 0.00 0.00 174.62 173.77 1drs s GLU 15 N -1.40 2.84 -0.55 3.99 2.56 -0.76 -4.89 118.70 120.49 1drs s GLU 15 Ca -0.07 -1.51 -0.24 0.00 0.00 0.00 0.00 54.97 53.15 1drs s GLU 15 Cb -0.09 -4.07 0.04 0.00 2.00 0.00 0.00 34.13 32.01 1drs s GLU 15 CO 0.01 -1.11 0.92 0.99 -0.56 0.00 0.00 175.26 175.51 1drs s THR 16 N 1.55 4.42 0.19 -1.70 2.01 -1.26 -2.04 115.64 118.80 1drs s THR 16 Ca 0.04 0.21 0.09 0.00 0.31 0.00 0.00 61.69 62.34 1drs s THR 16 Cb -0.26 -4.53 -0.04 0.00 0.01 0.00 0.00 72.50 67.68 1drs s THR 16 CO 0.04 -1.10 -0.11 0.00 -0.69 0.00 0.00 174.62 172.75 1drs n GLN 18 N -0.00 0.66 -2.34 0.00 6.02 -1.26 0.65 117.38 121.10 1drs n GLN 18 Ca -0.11 0.12 -0.43 0.00 -0.01 0.00 0.00 57.00 56.58 1drs n GLN 18 Cb 0.56 -1.64 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 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 -2.55 3.66 0.00 -1.09 8.01 -1.26 -4.85 118.70 120.63 1drs s GLU 19 Ca -0.08 1.07 0.00 0.00 0.01 0.00 0.00 54.97 55.97 1drs s GLU 19 Cb 0.07 -4.00 0.00 0.00 -4.31 0.00 0.00 34.13 25.89 1drs s GLU 19 CO 0.83 -1.45 0.79 -0.25 0.01 0.00 0.00 175.26 175.19 1drs n ASP 20 N 8.55 0.00 -4.29 -0.19 8.00 -1.26 -4.46 116.55 122.89 1drs n ASP 20 Ca 0.16 0.31 -0.32 0.00 0.71 0.00 0.00 54.79 55.65 1drs n ASP 20 Cb 0.47 -0.31 -0.16 0.00 -0.02 0.00 0.00 41.12 41.11 1drs n ASP 20 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1drs s SER 21 N -2.58 3.34 0.03 -2.24 0.15 -1.26 -4.19 113.70 106.96 1drs s SER 21 Ca 0.00 -0.46 0.03 0.00 0.70 0.00 0.00 55.95 56.22 1drs s SER 21 Cb 0.00 -1.12 -0.02 0.00 -1.71 0.00 0.00 66.02 63.17 1drs s SER 21 CO 0.00 0.22 -0.10 0.00 1.20 0.00 0.00 173.24 174.56 1drs s TYR 23 N -0.95 1.13 -0.31 0.00 -0.85 -0.29 -2.28 117.35 113.79 1drs s TYR 23 Ca -0.03 -0.30 -0.19 0.00 -0.52 0.00 0.00 57.07 56.03 1drs s TYR 23 Cb -0.08 -0.69 -0.01 0.00 0.38 0.00 0.00 41.96 41.56 1drs s TYR 23 CO 0.01 0.01 0.55 0.15 -1.52 0.00 0.00 175.55 174.74 1drs s LYS 24 N -0.84 3.82 -0.15 -3.49 3.01 -0.93 -2.49 119.74 118.67 1drs s LYS 24 Ca 0.02 0.10 0.02 0.00 -1.01 0.00 0.00 55.97 55.10 1drs s LYS 24 Cb -0.07 -3.74 0.01 0.00 -1.01 0.00 0.00 37.83 33.02 1drs s LYS 24 CO 0.01 -0.55 -0.21 1.21 0.51 0.00 0.00 175.35 176.32 1drs s ASN 25 N 1.68 3.14 0.00 2.83 2.47 -1.26 -3.22 114.94 120.58 1drs s ASN 25 Ca 0.21 -0.61 0.00 0.00 0.42 0.00 0.00 52.86 52.88 1drs s ASN 25 Cb -0.15 -1.46 0.00 0.00 -1.45 0.00 0.00 41.25 38.18 1drs s ASN 25 CO 0.12 0.05 0.40 2.30 -3.72 0.00 0.00 177.10 176.25 1drs n ILE 26 N 4.27 0.16 0.00 -5.21 -6.64 -1.26 -2.64 119.36 108.03 1drs n ILE 26 Ca -0.20 -0.26 0.00 0.00 -1.77 0.00 0.00 62.75 60.52 1drs n ILE 26 Cb 0.51 1.27 0.00 0.00 -1.44 0.00 0.00 39.64 39.98 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 -0.08 0.00 -0.51 4.28 2.14 -1.23 -4.40 117.44 117.64 1drs n TRP 27 Ca 0.00 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.63 1drs n TRP 27 Cb 0.28 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.74 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 -0.29 0.25 -1.67 5.66 -1.26 -1.73 114.28 115.24 1drs n THR 28 Ca 0.00 0.32 0.09 0.00 -3.05 0.00 0.00 64.05 61.41 1drs n THR 28 Cb 0.00 -0.49 0.65 0.00 -1.55 0.00 0.00 70.33 68.94 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 -0.50 0.00 -0.50 1.09 -5.15 -2.02 -3.01 116.94 106.85 1drs h PHE 29 Ca -0.07 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.70 1drs h PHE 29 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.66 1drs h PHE 29 CO 0.02 0.09 0.00 -0.40 -2.00 0.00 0.00 178.31 176.01 1drs n ASP 30 N -4.22 2.81 -3.58 -0.68 5.75 -1.26 -4.99 116.55 110.38 1drs n ASP 30 Ca -0.03 -2.04 -0.23 0.00 -0.01 0.00 0.00 54.79 52.48 1drs n ASP 30 Cb 0.17 -0.36 0.02 0.00 -1.03 0.00 0.00 41.12 39.92 1drs n ASP 30 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1drs n ASN 31 N 0.95 -5.74 -3.91 -1.12 5.15 -1.14 -4.99 115.26 104.46 1drs n ASN 31 Ca 0.17 -0.80 -0.11 0.00 -0.60 0.00 0.00 54.58 53.24 1drs n ASN 31 Cb 0.46 -3.31 -0.07 0.00 -0.53 0.00 0.00 39.78 36.33 1drs n ASN 31 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1drs s ILE 32 N -3.23 0.00 -0.47 -1.44 1.10 -0.70 -5.02 121.20 111.44 1drs s ILE 32 Ca 0.24 -1.66 -0.05 0.00 -0.51 0.00 0.00 60.65 58.68 1drs s ILE 32 Cb -0.09 -2.39 0.12 0.00 0.15 0.00 0.00 42.46 40.25 1drs s ILE 32 CO 0.85 0.00 0.29 -0.63 -2.11 0.00 0.00 174.94 173.34 1drs s ILE 33 N -3.88 3.64 -0.21 2.00 1.01 -1.26 -3.47 121.20 119.02 1drs s ILE 33 Ca 0.30 -2.12 -0.04 0.00 0.00 0.00 0.00 60.65 58.79 1drs s ILE 33 Cb 0.02 -3.44 0.10 0.00 0.01 0.00 0.00 42.46 39.14 1drs s ILE 33 CO 0.13 -0.75 0.22 -0.60 0.00 0.00 0.00 174.94 173.93 1drs s ARG 34 N 1.01 0.20 0.20 2.79 3.52 -1.08 -4.65 118.95 120.93 1drs s ARG 34 Ca 0.09 0.11 0.04 0.00 -0.13 0.00 0.00 55.73 55.84 1drs s ARG 34 Cb -0.23 -1.19 -0.01 0.00 -1.56 0.00 0.00 34.95 31.95 1drs s ARG 34 CO -0.03 -0.72 0.19 2.89 -0.81 0.00 0.00 175.30 176.82 1drs n ARG 35 N 5.31 0.28 0.00 5.12 1.85 -1.26 -4.66 116.66 123.30 1drs n ARG 35 Ca -0.05 -1.94 0.00 0.00 -1.00 0.00 0.00 57.85 54.85 1drs n ARG 35 Cb 0.49 1.64 0.00 0.00 -1.05 0.00 0.00 32.46 33.54 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 -0.37 2.87 2.87 2.89 0.00 -1.04 -4.46 105.19 107.96 1drs n GLY 36 Ca 0.04 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 4.95 -2.20 7.00 0.00 0.00 -0.81 -4.94 105.19 109.20 1drs n GLY 38 Ca -0.11 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.29 -1.13 -3.72 0.00 3.72 -1.26 -5.01 117.46 110.33 1drs n PHE 40 Ca 0.00 0.44 -0.36 0.00 -0.05 0.00 0.00 57.45 57.47 1drs n PHE 40 Cb 0.00 -2.48 -0.10 0.00 -0.94 0.00 0.00 39.48 35.97 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 -2.87 3.70 -1.21 4.37 -4.23 -1.26 -5.02 115.64 109.12 1drs s THR 41 Ca 0.01 -3.04 -0.10 0.00 -1.18 0.00 0.00 61.69 57.38 1drs s THR 41 Cb -0.00 -3.41 0.20 0.00 1.34 0.00 0.00 72.50 70.62 1drs s THR 41 CO 0.28 -0.89 1.58 -2.65 -0.54 0.00 0.00 174.62 172.40 1drs n PRO 42 N 3.39 3.61 -3.15 3.99 -0.02 -1.26 -4.78 135.00 136.78 1drs n PRO 42 Ca 0.09 -3.87 0.04 0.00 -2.02 0.00 0.00 63.50 57.74 1drs n PRO 42 Cb 0.37 -2.88 -0.00 0.00 -0.02 0.00 0.00 33.50 30.97 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 0.30 0.43 0.07 -0.52 3.52 -1.26 -5.07 118.95 116.42 1drs s ARG 43 Ca 0.39 0.44 0.23 0.00 -0.13 0.00 0.00 55.73 56.66 1drs s ARG 43 Cb 0.02 0.21 0.93 0.00 -1.56 0.00 0.00 34.95 34.55 1drs s ARG 43 CO 0.01 -0.80 1.72 0.41 -0.81 0.00 0.00 175.30 175.83 1drs n GLY 44 N 5.33 -1.33 1.81 8.12 0.00 -1.26 -3.24 105.19 114.62 1drs n GLY 44 Ca 0.06 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.71 3.26 -4.47 1.61 5.75 -1.26 -4.96 116.55 114.77 1drs n ASP 45 Ca 0.05 -3.67 -0.33 0.00 -0.01 0.00 0.00 54.79 50.83 1drs n ASP 45 Cb 0.28 -0.76 -0.13 0.00 -1.03 0.00 0.00 41.12 39.48 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 -3.28 2.81 -1.37 0.11 1.75 -1.20 -5.04 119.30 113.08 1drs s MET 46 Ca 0.52 -0.66 -0.09 0.00 -1.25 0.00 0.00 55.69 54.21 1drs s MET 46 Cb 0.45 -2.50 -0.09 0.00 2.84 0.00 0.00 34.83 35.53 1drs s MET 46 CO 0.07 0.51 3.01 -2.30 -0.65 0.00 0.00 175.02 175.66 1drs n PRO 47 N 2.64 3.54 -2.85 4.11 -0.02 -1.26 -4.93 135.00 136.23 1drs n PRO 47 Ca -0.18 -2.15 -0.30 0.00 -2.02 0.00 0.00 63.50 58.86 1drs n PRO 47 Cb 0.52 -2.67 -0.02 0.00 -0.02 0.00 0.00 33.50 31.31 1drs n PRO 47 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1drs s GLY 48 N 1.98 1.84 0.97 -1.23 0.00 -1.26 -5.08 107.32 104.53 1drs s GLY 48 Ca 0.68 -0.30 -0.12 0.00 0.00 0.00 0.00 44.72 44.98 1drs s GLY 48 CO -0.06 -0.12 0.67 -1.55 0.00 0.00 0.00 173.10 172.04 1drs n PRO 49 N -1.47 -0.60 -3.16 2.90 -0.04 -1.26 -4.95 135.00 126.42 1drs n PRO 49 Ca 0.02 -0.13 -0.41 0.00 -0.04 0.00 0.00 63.50 62.94 1drs n PRO 49 Cb 0.54 -2.04 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.47 3.18 -0.20 0.54 1.13 -1.20 -4.92 117.35 113.41 1drs s TYR 50 Ca 0.61 0.34 -0.00 0.00 -1.41 0.00 0.00 57.07 56.61 1drs s TYR 50 Cb -0.21 -3.02 0.02 0.00 -1.10 0.00 0.00 41.96 37.64 1drs s TYR 50 CO 0.64 -0.56 -0.15 0.00 -2.51 0.00 0.00 175.55 172.97 1drs n GLU 53 N -2.30 2.05 -3.15 0.00 0.00 -1.26 -1.63 120.64 114.35 1drs n GLU 53 Ca 0.12 -3.64 0.05 0.00 0.00 0.00 0.00 57.16 53.70 1drs n GLU 53 Cb 0.60 -1.70 -0.01 0.00 0.00 0.00 0.00 31.44 30.34 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 -3.62 -0.54 0.76 -1.84 0.15 -1.26 -4.84 113.70 102.51 1drs s SER 54 Ca 0.32 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1drs s SER 54 Cb 0.37 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 66.09 1drs s SER 54 CO -0.02 -0.10 0.00 -0.67 1.20 0.00 0.00 173.24 173.65 1drs n ASP 55 N 5.36 -3.99 -0.34 5.45 2.03 -1.26 -3.94 116.55 119.86 1drs n ASP 55 Ca -0.01 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.34 1drs n ASP 55 Cb 0.55 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.14 1drs n ASP 55 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1drs h LYS 56 N 0.00 0.95 -6.43 -0.67 -0.00 -1.86 -3.45 116.57 105.10 1drs h LYS 56 Ca 0.00 -0.06 -0.40 0.00 -0.00 0.00 0.00 60.65 60.20 1drs h LYS 56 Cb 0.00 -0.21 0.01 0.00 -0.00 0.00 0.00 32.23 32.02 1drs h LYS 56 CO 0.00 0.63 -0.85 0.00 -0.00 0.00 0.00 179.45 179.23 1drs n ASN 58 N -2.41 -1.35 0.00 0.00 4.13 -1.26 -4.81 115.26 109.55 1drs n ASN 58 Ca -0.21 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.05 1drs n ASN 58 Cb 0.63 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43