#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 4.75 0.02 0.55 1.09 -1.26 -2.51 121.20 123.84 1drs s ILE 2 Ca 0.00 -0.19 0.01 0.00 -1.10 0.00 0.00 60.65 59.36 1drs s ILE 2 Cb 0.00 -3.33 -0.02 0.00 -1.06 0.00 0.00 42.46 38.05 1drs s ILE 2 CO 0.00 0.18 -0.04 0.00 -0.10 0.00 0.00 174.94 174.98 1drs s TYR 4 N -1.09 2.65 -0.29 0.00 1.51 -1.26 -0.94 117.35 117.94 1drs s TYR 4 Ca -0.11 1.53 0.20 0.00 -1.01 0.00 0.00 57.07 57.69 1drs s TYR 4 Cb -0.08 -3.36 0.49 0.00 -0.11 0.00 0.00 41.96 38.90 1drs s TYR 4 CO -0.00 -1.72 1.11 -1.71 -1.11 0.00 0.00 175.55 172.11 1drs n ASN 5 N -1.16 1.21 -1.03 2.29 5.15 -1.07 -4.25 115.26 116.39 1drs n ASN 5 Ca 0.11 -2.24 0.00 0.00 -0.60 0.00 0.00 54.58 51.85 1drs n ASN 5 Cb 0.50 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 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 -0.52 0.00 -1.03 1.20 8.25 -1.07 -4.75 115.22 117.30 1drs n HIS 6 Ca 0.05 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.65 1drs n HIS 6 Cb 0.81 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.89 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 -0.83 -4.79 117.00 118.11 1drs n LEU 7 Ca 0.00 1.04 0.00 0.00 -0.02 0.00 0.00 56.01 57.03 1drs n LEU 7 Cb 0.00 -2.93 0.00 0.00 -1.62 0.00 0.00 43.42 38.87 1drs n LEU 7 CO 0.00 -1.93 0.00 0.61 -1.22 0.00 0.00 177.39 174.85 1drs n GLY 8 N -3.17 2.05 1.46 -0.72 0.00 -1.26 -3.60 105.19 99.94 1drs n GLY 8 Ca 0.01 -0.29 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 -2.87 2.61 -1.04 -1.26 -5.11 114.28 106.60 1drs n THR 9 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1drs n THR 9 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 -2.00 4.57 0.00 -2.82 -0.14 -1.24 -5.04 119.74 113.07 1drs s LYS 10 Ca 0.00 1.22 0.19 0.00 -1.36 0.00 0.00 55.97 56.02 1drs s LYS 10 Cb 0.00 -3.38 -0.07 0.00 -1.68 0.00 0.00 37.83 32.70 1drs s LYS 10 CO 0.00 0.21 0.92 -2.30 -0.76 0.00 0.00 175.35 173.42 1drs n PRO 11 N 2.98 1.27 0.24 -1.68 -0.02 -1.26 -1.97 135.00 134.56 1drs n PRO 11 Ca 0.00 -0.62 0.13 0.00 -2.02 0.00 0.00 63.50 60.99 1drs n PRO 11 Cb 0.50 -1.38 0.37 0.00 -0.02 0.00 0.00 33.50 32.98 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 1.46 0.00 -6.31 0.52 0.11 -1.96 -3.43 132.00 122.39 1drs h PRO 12 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 1drs h PRO 12 Cb 0.59 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1drs h PRO 12 CO 0.00 0.06 -0.26 0.95 -0.21 0.00 0.00 178.00 178.53 1drs s THR 13 N -3.40 5.14 0.02 -1.15 -4.23 -1.26 -5.03 115.64 105.72 1drs s THR 13 Ca 0.04 -0.17 0.04 0.00 -1.18 0.00 0.00 61.69 60.42 1drs s THR 13 Cb 0.07 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 1drs s THR 13 CO 0.63 -0.20 -0.12 0.42 -0.54 0.00 0.00 174.62 174.80 1drs s THR 14 N -1.92 0.97 -0.86 3.99 -4.23 -1.26 -2.60 115.64 109.73 1drs s THR 14 Ca 0.41 -0.76 -0.20 0.00 -1.18 0.00 0.00 61.69 59.96 1drs s THR 14 Cb -0.11 -0.86 0.11 0.00 1.34 0.00 0.00 72.50 72.98 1drs s THR 14 CO 0.29 0.10 1.09 -0.70 -0.54 0.00 0.00 174.62 174.86 1drs s GLU 15 N -0.75 3.46 -0.67 3.99 2.12 -0.11 -4.83 118.70 121.91 1drs s GLU 15 Ca 0.02 -1.47 -0.25 0.00 0.36 0.00 0.00 54.97 53.63 1drs s GLU 15 Cb -0.06 -4.75 0.05 0.00 0.26 0.00 0.00 34.13 29.62 1drs s GLU 15 CO 0.00 -1.80 1.11 0.99 -0.54 0.00 0.00 175.26 175.02 1drs s THR 16 N 3.17 4.05 0.08 -1.70 2.01 -1.26 -2.68 115.64 119.31 1drs s THR 16 Ca 0.30 0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.46 1drs s THR 16 Cb -0.08 -4.77 -0.04 0.00 0.01 0.00 0.00 72.50 67.62 1drs s THR 16 CO -0.04 -1.57 -0.02 0.00 -0.69 0.00 0.00 174.62 172.30 1drs n GLN 18 N 0.03 0.08 -2.18 0.00 -0.00 -1.26 0.16 117.38 114.20 1drs n GLN 18 Ca -0.12 0.02 -0.42 0.00 -0.00 0.00 0.00 57.00 56.48 1drs n GLN 18 Cb 0.62 -1.55 -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 -3.05 4.25 0.45 2.61 0.41 -1.26 -4.38 118.70 117.74 1drs s GLU 19 Ca 0.10 2.00 0.27 0.00 -0.41 0.00 0.00 54.97 56.93 1drs s GLU 19 Cb 0.17 -3.66 1.32 0.00 -1.78 0.00 0.00 34.13 30.18 1drs s GLU 19 CO 0.69 -0.64 1.74 -0.44 -0.49 0.00 0.00 175.26 176.12 1drs h ASP 20 N 8.17 0.27 -1.74 -0.19 5.19 -1.89 0.89 116.42 127.11 1drs h ASP 20 Ca -0.37 0.07 -0.61 0.00 -0.62 0.00 0.00 57.03 55.50 1drs h ASP 20 Cb 1.17 0.04 -0.13 0.00 0.18 0.00 0.00 39.33 40.59 1drs h ASP 20 CO 0.92 -0.00 -0.58 -0.44 -3.12 0.00 0.00 179.24 176.02 1drs s SER 21 N -5.00 3.61 0.10 6.45 0.01 -1.25 -4.48 113.70 113.13 1drs s SER 21 Ca -0.07 -1.45 -0.13 0.00 1.31 0.00 0.00 55.95 55.61 1drs s SER 21 Cb 0.26 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.41 1drs s SER 21 CO 0.81 -0.59 0.30 0.00 0.41 0.00 0.00 173.24 174.17 1drs s TYR 23 N -3.67 1.84 -0.29 0.00 -0.85 -0.45 -1.87 117.35 112.06 1drs s TYR 23 Ca 0.03 -0.46 -0.07 0.00 -0.52 0.00 0.00 57.07 56.05 1drs s TYR 23 Cb 0.03 -0.93 0.01 0.00 0.38 0.00 0.00 41.96 41.45 1drs s TYR 23 CO -0.11 0.33 0.08 0.15 -1.52 0.00 0.00 175.55 174.49 1drs s LYS 24 N -2.73 3.12 -0.18 -3.49 -0.14 -0.30 -2.72 119.74 113.30 1drs s LYS 24 Ca 0.15 -0.84 0.01 0.00 -1.36 0.00 0.00 55.97 53.93 1drs s LYS 24 Cb -0.06 -3.37 0.02 0.00 -1.68 0.00 0.00 37.83 32.74 1drs s LYS 24 CO 0.07 -0.43 -0.18 1.21 -0.76 0.00 0.00 175.35 175.25 1drs s ASN 25 N 1.51 3.26 0.00 2.83 2.47 -1.26 -3.09 114.94 120.65 1drs s ASN 25 Ca 0.03 -0.63 0.00 0.00 0.42 0.00 0.00 52.86 52.68 1drs s ASN 25 Cb -0.17 -1.51 0.00 0.00 -1.45 0.00 0.00 41.25 38.12 1drs s ASN 25 CO 0.02 -0.00 0.60 2.30 -3.72 0.00 0.00 177.10 176.31 1drs n ILE 26 N 4.64 0.24 0.00 -5.21 -0.00 -1.26 -2.20 119.36 115.56 1drs n ILE 26 Ca -0.21 -0.24 0.00 0.00 -0.00 0.00 0.00 62.75 62.30 1drs n ILE 26 Cb 0.50 0.91 0.00 0.00 -0.00 0.00 0.00 39.64 41.05 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 -0.12 0.00 -0.33 4.28 2.14 -1.21 -4.39 117.44 117.80 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 0.43 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.91 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 -0.17 -0.04 -1.67 5.66 -1.26 -1.77 114.28 115.03 1drs n THR 28 Ca 0.00 0.20 -0.14 0.00 -3.05 0.00 0.00 64.05 61.06 1drs n THR 28 Cb 0.00 -0.31 -0.08 0.00 -1.55 0.00 0.00 70.33 68.39 1drs n THR 28 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1drs h PHE 29 N -0.33 0.39 0.00 1.09 -1.00 -2.01 -3.08 116.94 112.00 1drs h PHE 29 Ca -0.04 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.60 1drs h PHE 29 Cb 0.32 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1drs h PHE 29 CO 0.01 0.80 0.00 -0.40 -1.61 0.00 0.00 178.31 177.11 1drs n ASP 30 N -4.54 0.00 -2.53 2.17 5.75 -1.26 -4.93 116.55 111.21 1drs n ASP 30 Ca -0.07 0.24 -0.03 0.00 -0.01 0.00 0.00 54.79 54.91 1drs n ASP 30 Cb 0.40 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 -1.31 -6.24 -3.68 -1.12 2.85 -1.16 -5.00 115.26 99.60 1drs n ASN 31 Ca 0.02 0.21 -0.04 0.00 -0.11 0.00 0.00 54.58 54.67 1drs n ASN 31 Cb 0.05 -4.14 -0.01 0.00 1.24 0.00 0.00 39.78 36.91 1drs n ASN 31 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1drs s ILE 32 N -2.49 0.00 -0.50 -1.44 1.10 -0.73 -5.02 121.20 112.12 1drs s ILE 32 Ca 0.11 -0.46 -0.12 0.00 -0.51 0.00 0.00 60.65 59.66 1drs s ILE 32 Cb -0.03 -1.74 0.12 0.00 0.15 0.00 0.00 42.46 40.96 1drs s ILE 32 CO 0.55 0.00 0.41 -0.63 -2.11 0.00 0.00 174.94 173.15 1drs s ILE 33 N -3.17 4.66 -0.08 2.00 1.01 -1.26 -3.36 121.20 121.00 1drs s ILE 33 Ca 0.11 -1.61 -0.03 0.00 0.00 0.00 0.00 60.65 59.11 1drs s ILE 33 Cb -0.01 -4.01 0.04 0.00 0.01 0.00 0.00 42.46 38.50 1drs s ILE 33 CO -0.01 -0.79 0.09 -0.60 0.00 0.00 0.00 174.94 173.63 1drs s ARG 34 N 1.47 -0.02 0.00 2.79 3.52 -0.93 -4.74 118.95 121.05 1drs s ARG 34 Ca 0.04 0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1drs s ARG 34 Cb -0.27 -0.80 0.00 0.00 -1.56 0.00 0.00 34.95 32.31 1drs s ARG 34 CO 0.01 -0.42 0.00 2.89 -0.81 0.00 0.00 175.30 176.98 1drs n ARG 35 N 5.30 0.00 -3.52 5.12 -4.01 -1.26 -4.53 116.66 113.76 1drs n ARG 35 Ca -0.04 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.77 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 -1.07 3.68 2.89 0.00 -1.10 -4.33 105.19 105.26 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 3.72 -1.53 3.56 0.00 0.00 -0.76 -4.92 105.19 105.26 1drs n GLY 38 Ca 0.14 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.06 2.79 -0.50 0.00 0.08 -1.26 -4.89 117.98 114.13 1drs s PHE 40 Ca 0.00 -1.25 0.04 0.00 0.12 0.00 0.00 56.93 55.84 1drs s PHE 40 Cb 0.00 -4.60 0.13 0.00 -0.57 0.00 0.00 43.02 37.98 1drs s PHE 40 CO 0.00 -1.77 0.24 -0.08 -0.10 0.00 0.00 175.22 173.51 1drs s THR 41 N 4.04 2.53 -0.61 0.64 -1.32 -1.26 -5.07 115.64 114.58 1drs s THR 41 Ca 0.45 -3.23 -0.20 0.00 -1.21 0.00 0.00 61.69 57.49 1drs s THR 41 Cb -0.00 -2.76 0.09 0.00 -1.51 0.00 0.00 72.50 68.31 1drs s THR 41 CO -0.05 -0.79 0.79 -2.16 -2.21 0.00 0.00 174.62 170.20 1drs s PRO 42 N -0.19 3.07 -0.30 7.08 0.04 -1.26 -4.81 135.00 138.63 1drs s PRO 42 Ca 0.17 -1.12 -0.14 0.00 0.04 0.00 0.00 61.00 59.94 1drs s PRO 42 Cb -0.25 -4.24 0.16 0.00 0.04 0.00 0.00 34.50 30.20 1drs s PRO 42 CO -0.01 -1.61 0.95 0.50 0.04 0.00 0.00 177.00 176.87 1drs s ARG 43 N 3.14 0.33 -0.14 4.56 6.06 -1.26 -5.07 118.95 126.57 1drs s ARG 43 Ca 0.15 0.81 0.18 0.00 -2.50 0.00 0.00 55.73 54.38 1drs s ARG 43 Cb -0.21 0.47 -0.26 0.00 0.06 0.00 0.00 34.95 35.01 1drs s ARG 43 CO 0.08 -0.11 0.23 0.41 -2.50 0.00 0.00 175.30 173.41 1drs n GLY 44 N 4.96 -1.01 1.81 8.12 0.00 -1.26 -4.25 105.19 113.57 1drs n GLY 44 Ca -0.10 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.69 3.51 -2.89 1.61 5.75 -1.26 -4.13 116.55 116.45 1drs n ASP 45 Ca -0.25 -3.06 0.03 0.00 -0.01 0.00 0.00 54.79 51.49 1drs n ASP 45 Cb 1.02 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 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 -2.19 0.21 0.09 0.11 -2.45 -1.26 -5.14 119.30 108.66 1drs s MET 46 Ca 0.38 -0.01 -0.35 0.00 -1.25 0.00 0.00 55.69 54.46 1drs s MET 46 Cb 0.32 0.04 -0.14 0.00 1.25 0.00 0.00 34.83 36.30 1drs s MET 46 CO 0.07 -0.32 1.60 -2.30 1.05 0.00 0.00 175.02 175.12 1drs n PRO 47 N 4.11 1.96 -1.56 4.11 -0.02 -1.26 -4.74 135.00 137.60 1drs n PRO 47 Ca 0.07 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 1drs n PRO 47 Cb 0.61 -2.47 0.23 0.00 -0.02 0.00 0.00 33.50 31.85 1drs n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1drs n GLY 48 N 3.47 -2.04 3.40 -1.23 0.00 -1.26 -5.05 105.19 102.48 1drs n GLY 48 Ca 0.19 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1drs n GLY 48 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1drs n PRO 49 N -4.28 -1.88 -3.65 1.61 -0.02 -1.26 -5.06 135.00 120.47 1drs n PRO 49 Ca 0.16 -0.52 -0.27 0.00 -2.02 0.00 0.00 63.50 60.85 1drs n PRO 49 Cb 0.59 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 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 -2.35 3.48 0.06 6.00 1.13 -1.18 -4.94 117.35 119.56 1drs s TYR 50 Ca 0.63 0.38 0.00 0.00 -1.41 0.00 0.00 57.07 56.66 1drs s TYR 50 Cb -0.20 -1.88 -0.04 0.00 -1.10 0.00 0.00 41.96 38.75 1drs s TYR 50 CO 0.65 0.35 -0.04 0.00 -2.51 0.00 0.00 175.55 174.00 1drs n GLU 53 N -0.97 1.29 -4.34 0.00 0.28 -1.26 -2.53 120.64 113.11 1drs n GLU 53 Ca -0.05 -2.79 -0.19 0.00 -0.16 0.00 0.00 57.16 53.97 1drs n GLU 53 Cb 0.66 -0.93 -0.09 0.00 1.43 0.00 0.00 31.44 32.51 1drs n GLU 53 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1drs s SER 54 N -2.97 1.55 0.13 -1.84 1.04 -1.26 -4.94 113.70 105.41 1drs s SER 54 Ca 0.25 -1.56 -0.31 0.00 0.48 0.00 0.00 55.95 54.80 1drs s SER 54 Cb 0.34 0.39 -0.08 0.00 0.10 0.00 0.00 66.02 66.77 1drs s SER 54 CO -0.08 -0.89 1.40 -0.62 0.98 0.00 0.00 173.24 174.03 1drs s ASP 55 N -3.38 6.80 0.00 7.02 2.15 -1.26 -4.59 116.67 123.42 1drs s ASP 55 Ca 0.36 2.37 0.00 0.00 0.43 0.00 0.00 52.55 55.71 1drs s ASP 55 Cb 0.05 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1drs s ASP 55 CO 0.18 -0.66 0.00 0.29 -0.17 0.00 0.00 175.17 174.81 1drs n LYS 56 N 3.78 0.00 -3.42 4.34 4.76 -1.20 -4.88 118.16 121.54 1drs n LYS 56 Ca 0.11 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.41 1drs n LYS 56 Cb 0.42 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.62 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 -2.26 -3.26 0.00 0.00 3.02 -1.26 -5.05 115.26 106.45 1drs n ASN 58 Ca -0.13 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1drs n ASN 58 Cb 0.59 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 36.10 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53