#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 0.29 0.02 8.89 1.01 -1.26 -1.12 121.20 129.03 1drs s ILE 2 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1drs s ILE 2 Cb 0.00 -0.37 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1drs s ILE 2 CO 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 174.94 175.01 1drs s TYR 4 N -0.65 3.59 0.00 0.00 2.02 -1.26 -1.28 117.35 119.76 1drs s TYR 4 Ca 0.00 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.82 1drs s TYR 4 Cb -0.06 -2.59 0.00 0.00 -0.40 0.00 0.00 41.96 38.91 1drs s TYR 4 CO 0.00 -0.57 0.04 -1.71 -1.57 0.00 0.00 175.55 171.74 1drs n ASN 5 N -2.59 0.07 -3.58 2.29 2.85 -1.03 -3.85 115.26 109.42 1drs n ASN 5 Ca 0.04 -0.85 0.00 0.00 -0.11 0.00 0.00 54.58 53.66 1drs n ASN 5 Cb 0.55 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.58 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 -0.01 -0.33 -0.16 1.20 8.25 -0.66 -4.29 115.22 119.22 1drs n HIS 6 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1drs n HIS 6 Cb 0.19 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 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 -0.08 0.00 2.41 4.77 -1.20 -4.59 117.00 118.31 1drs n LEU 7 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1drs n LEU 7 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1drs n LEU 7 CO 0.00 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 1drs n GLY 8 N -1.50 3.17 0.22 -0.72 0.00 -1.26 -3.39 105.19 101.71 1drs n GLY 8 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1drs n GLY 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1drs h THR 9 N 0.00 1.29 -3.76 2.61 2.02 -2.02 -3.41 112.91 109.64 1drs h THR 9 Ca 0.00 -1.48 -0.66 0.00 0.77 0.00 0.00 66.41 65.05 1drs h THR 9 Cb 0.00 1.54 -0.38 0.00 -1.74 0.00 0.00 68.15 67.56 1drs h THR 9 CO 0.00 0.48 -0.77 -0.54 0.37 0.00 0.00 175.52 175.06 1drs s LYS 10 N -4.37 1.87 0.00 6.66 -0.14 -1.22 -5.07 119.74 117.48 1drs s LYS 10 Ca -0.12 -1.45 0.27 0.00 -1.36 0.00 0.00 55.97 53.31 1drs s LYS 10 Cb 0.09 -2.92 0.96 0.00 -1.68 0.00 0.00 37.83 34.29 1drs s LYS 10 CO 0.84 -0.70 1.73 -2.30 -0.76 0.00 0.00 175.35 174.16 1drs n PRO 11 N 4.42 0.06 0.06 -1.68 -0.02 -1.26 -3.24 135.00 133.34 1drs n PRO 11 Ca -0.08 -0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1drs n PRO 11 Cb 0.42 -1.50 0.47 0.00 -0.02 0.00 0.00 33.50 32.87 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 -1.45 0.12 -4.24 0.52 -0.02 -1.26 -3.89 135.00 124.77 1drs n PRO 12 Ca 0.07 0.20 -0.23 0.00 -2.02 0.00 0.00 63.50 61.53 1drs n PRO 12 Cb 0.33 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 32.08 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 -3.10 3.70 0.05 3.45 -4.23 -1.26 -4.99 115.64 109.26 1drs s THR 13 Ca 0.09 -1.78 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1drs s THR 13 Cb 0.13 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 1drs s THR 13 CO 0.47 -0.36 -0.12 0.42 -0.54 0.00 0.00 174.62 174.49 1drs s THR 14 N -2.28 0.89 -0.26 3.99 -4.23 -1.26 -1.65 115.64 110.84 1drs s THR 14 Ca 0.32 -1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1drs s THR 14 Cb -0.07 -0.87 0.04 0.00 1.34 0.00 0.00 72.50 72.94 1drs s THR 14 CO 0.21 -0.20 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.42 1drs s GLU 15 N -1.46 2.67 0.01 3.99 2.02 -0.41 -4.88 118.70 120.65 1drs s GLU 15 Ca -0.04 -1.09 -0.30 0.00 0.02 0.00 0.00 54.97 53.57 1drs s GLU 15 Cb -0.09 -3.00 -0.06 0.00 0.10 0.00 0.00 34.13 31.08 1drs s GLU 15 CO 0.01 -0.46 1.48 0.99 0.02 0.00 0.00 175.26 177.30 1drs s THR 16 N 1.28 3.56 -0.09 3.63 2.01 -1.26 -1.54 115.64 123.23 1drs s THR 16 Ca -0.02 0.93 0.05 0.00 0.31 0.00 0.00 61.69 62.96 1drs s THR 16 Cb -0.18 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 1drs s THR 16 CO -0.04 -0.01 -0.24 0.00 -0.69 0.00 0.00 174.62 173.64 1drs n GLN 18 N 3.32 1.03 -2.55 0.00 -0.06 -1.26 0.13 117.38 117.98 1drs n GLN 18 Ca -0.18 -3.25 -0.15 0.00 -2.00 0.00 0.00 57.00 51.42 1drs n GLN 18 Cb 0.53 -1.51 0.02 0.00 -4.06 0.00 0.00 30.24 25.22 1drs n GLN 18 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1drs n GLU 19 N 0.16 2.26 0.00 3.69 2.13 -1.26 -5.01 120.64 122.62 1drs n GLU 19 Ca 0.19 -3.80 0.00 0.00 0.66 0.00 0.00 57.16 54.21 1drs n GLU 19 Cb 0.71 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1drs n GLU 19 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1drs n ASP 20 N -0.36 0.00 -3.87 4.31 9.92 -1.26 -4.92 116.55 120.36 1drs n ASP 20 Ca 0.22 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.39 1drs n ASP 20 Cb 0.79 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.20 1drs n ASP 20 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1drs s SER 21 N 0.00 0.03 0.33 -2.24 0.01 -1.26 -4.69 113.70 105.88 1drs s SER 21 Ca 0.00 -0.70 0.04 0.00 1.31 0.00 0.00 55.95 56.59 1drs s SER 21 Cb 0.00 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.62 1drs s SER 21 CO 0.00 -0.83 0.34 0.00 0.41 0.00 0.00 173.24 173.16 1drs s TYR 23 N -3.32 -0.22 -0.12 0.00 -0.85 -0.46 -1.91 117.35 110.47 1drs s TYR 23 Ca 0.37 0.06 -0.02 0.00 -0.52 0.00 0.00 57.07 56.96 1drs s TYR 23 Cb 0.02 0.21 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 1drs s TYR 23 CO 0.25 -0.61 -0.03 0.15 -1.52 0.00 0.00 175.55 173.80 1drs s LYS 24 N -2.96 3.30 -0.10 -3.49 3.01 -0.83 -2.67 119.74 116.00 1drs s LYS 24 Ca -0.02 -0.48 -0.01 0.00 -1.01 0.00 0.00 55.97 54.45 1drs s LYS 24 Cb 0.00 -2.83 0.03 0.00 -1.01 0.00 0.00 37.83 34.02 1drs s LYS 24 CO -0.06 0.47 -0.02 1.21 0.51 0.00 0.00 175.35 177.46 1drs s ASN 25 N -0.26 1.90 0.00 2.83 2.47 -1.26 -2.11 114.94 118.51 1drs s ASN 25 Ca 0.05 -0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.11 1drs s ASN 25 Cb -0.13 -0.58 0.00 0.00 -1.45 0.00 0.00 41.25 39.10 1drs s ASN 25 CO 0.02 -0.18 0.00 2.30 -3.72 0.00 0.00 177.10 175.52 1drs n ILE 26 N 5.07 0.00 0.00 -5.21 -0.00 -1.26 -1.99 119.36 115.98 1drs n ILE 26 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 1drs n ILE 26 Cb 0.50 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 40.08 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 -0.54 0.00 -0.25 4.28 2.14 -1.26 -3.76 117.44 118.05 1drs n TRP 27 Ca 0.00 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.60 1drs n TRP 27 Cb 0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.53 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 -0.11 -1.67 5.66 -1.26 -2.89 114.28 113.84 1drs n THR 28 Ca 0.00 0.17 -0.09 0.00 -3.05 0.00 0.00 64.05 61.08 1drs n THR 28 Cb 0.00 -0.25 -0.01 0.00 -1.55 0.00 0.00 70.33 68.52 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 -0.25 0.47 0.00 1.09 0.04 -1.99 -3.07 116.94 113.23 1drs h PHE 29 Ca -0.03 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1drs h PHE 29 Cb 0.24 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1drs h PHE 29 CO 0.01 0.34 0.00 -0.40 -0.60 0.00 0.00 178.31 177.66 1drs n ASP 30 N -4.80 0.00 -3.32 2.17 5.75 -1.26 -4.97 116.55 110.12 1drs n ASP 30 Ca -0.01 -0.84 -0.11 0.00 -0.01 0.00 0.00 54.79 53.82 1drs n ASP 30 Cb 0.06 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.16 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 -0.98 -6.72 -3.61 -1.12 3.02 -1.16 -5.02 115.26 99.67 1drs n ASN 31 Ca 0.18 -0.46 -0.14 0.00 -0.03 0.00 0.00 54.58 54.13 1drs n ASN 31 Cb 0.08 -4.27 -0.06 0.00 -0.61 0.00 0.00 39.78 34.92 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 -3.11 0.04 -0.79 2.41 1.10 -1.14 -5.06 121.20 114.65 1drs s ILE 32 Ca 0.12 -0.30 -0.17 0.00 -0.51 0.00 0.00 60.65 59.79 1drs s ILE 32 Cb -0.03 -0.93 0.15 0.00 0.15 0.00 0.00 42.46 41.80 1drs s ILE 32 CO 0.80 -0.16 0.87 -0.63 -2.11 0.00 0.00 174.94 173.71 1drs s ILE 33 N -2.19 5.04 -0.19 2.00 1.01 -1.26 -4.24 121.20 121.37 1drs s ILE 33 Ca -0.07 -1.68 -0.01 0.00 0.00 0.00 0.00 60.65 58.89 1drs s ILE 33 Cb -0.01 -4.59 0.05 0.00 0.01 0.00 0.00 42.46 37.93 1drs s ILE 33 CO 0.00 -1.23 -0.01 -0.60 0.00 0.00 0.00 174.94 173.10 1drs s ARG 34 N 1.87 1.10 0.00 2.79 3.52 -0.84 -4.82 118.95 122.57 1drs s ARG 34 Ca 0.21 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 1drs s ARG 34 Cb -0.13 -2.16 0.00 0.00 -1.56 0.00 0.00 34.95 31.10 1drs s ARG 34 CO -0.04 -0.56 0.00 2.89 -0.81 0.00 0.00 175.30 176.77 1drs n ARG 35 N 4.91 0.00 -3.08 5.12 1.85 -1.26 -4.52 116.66 119.68 1drs n ARG 35 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 1drs n ARG 35 Cb 0.47 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.88 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 0.00 -0.83 3.51 2.89 0.00 -1.09 -4.28 105.19 105.39 1drs n GLY 36 Ca 0.00 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 5.03 -1.39 4.93 0.00 0.00 -1.08 -4.98 105.19 107.69 1drs n GLY 38 Ca -0.03 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -2.53 -3.63 0.00 3.72 -1.26 -4.97 117.46 108.78 1drs n PHE 40 Ca 0.00 0.96 -0.37 0.00 -0.05 0.00 0.00 57.45 57.99 1drs n PHE 40 Cb 0.00 -3.75 -0.07 0.00 -0.94 0.00 0.00 39.48 34.73 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 -3.02 4.37 0.66 4.37 -4.23 -1.26 -5.08 115.64 111.44 1drs s THR 41 Ca 0.02 -3.66 -0.11 0.00 -1.18 0.00 0.00 61.69 56.76 1drs s THR 41 Cb -0.00 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.10 1drs s THR 41 CO 0.64 -1.06 1.05 -2.16 -0.54 0.00 0.00 174.62 172.55 1drs s PRO 42 N -1.09 3.27 -1.26 3.99 0.04 -1.26 -4.94 135.00 133.75 1drs s PRO 42 Ca 0.26 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 61.97 1drs s PRO 42 Cb -0.10 -2.04 0.13 0.00 0.04 0.00 0.00 34.50 32.53 1drs s PRO 42 CO -0.11 -0.82 1.60 -2.13 0.04 0.00 0.00 177.00 175.58 1drs n ARG 43 N -2.93 3.30 -0.83 4.56 0.00 -1.26 -4.61 116.66 114.89 1drs n ARG 43 Ca 0.07 -3.57 0.01 0.00 -0.00 0.00 0.00 57.85 54.35 1drs n ARG 43 Cb 0.54 -3.23 0.31 0.00 0.00 0.00 0.00 32.46 30.08 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 4.56 3.74 2.95 5.14 0.00 -1.26 -4.92 105.19 115.39 1drs n GLY 44 Ca 0.42 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.17 -4.78 -3.88 1.61 8.00 -1.26 -5.06 116.55 111.00 1drs n ASP 45 Ca 0.33 -0.38 -0.22 0.00 0.71 0.00 0.00 54.79 55.22 1drs n ASP 45 Cb 1.19 -3.69 -0.17 0.00 -0.02 0.00 0.00 41.12 38.44 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 -5.83 0.94 1.11 -1.24 -1.94 -1.26 -5.17 119.30 105.91 1drs s MET 46 Ca 0.37 -0.11 -0.16 0.00 -1.71 0.00 0.00 55.69 54.08 1drs s MET 46 Cb -0.16 -0.99 0.24 0.00 2.01 0.00 0.00 34.83 35.93 1drs s MET 46 CO 0.51 -0.13 1.10 -2.14 -0.01 0.00 0.00 175.02 174.36 1drs s PRO 47 N 1.17 -0.50 -0.06 2.03 0.02 -1.26 -4.90 135.00 131.50 1drs s PRO 47 Ca -0.07 0.18 -0.31 0.00 0.02 0.00 0.00 61.00 60.82 1drs s PRO 47 Cb -0.14 -1.66 0.13 0.00 0.02 0.00 0.00 34.50 32.85 1drs s PRO 47 CO -0.01 -3.28 1.37 0.20 -0.33 0.00 0.00 177.00 174.94 1drs s GLY 48 N -3.70 -0.40 1.16 0.52 0.00 -1.26 -5.08 107.32 98.56 1drs s GLY 48 Ca 0.68 0.69 -0.14 0.00 0.00 0.00 0.00 44.72 45.95 1drs s GLY 48 CO 0.57 1.49 1.04 2.56 0.00 0.00 0.00 173.10 178.75 1drs s PRO 49 N -2.14 -0.85 -0.19 2.90 0.04 -1.26 -5.03 135.00 128.46 1drs s PRO 49 Ca 0.18 0.56 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 1drs s PRO 49 Cb 0.05 -1.58 -0.05 0.00 0.04 0.00 0.00 34.50 32.96 1drs s PRO 49 CO -0.05 -3.60 0.23 1.52 0.04 0.00 0.00 177.00 175.14 1drs s TYR 50 N -2.64 3.41 0.37 0.56 1.13 -0.90 -4.96 117.35 114.32 1drs s TYR 50 Ca 0.68 0.45 0.08 0.00 -1.41 0.00 0.00 57.07 56.86 1drs s TYR 50 Cb -0.21 -2.29 -0.07 0.00 -1.10 0.00 0.00 41.96 38.29 1drs s TYR 50 CO 0.61 0.19 -0.03 0.00 -2.51 0.00 0.00 175.55 173.81 1drs n GLU 53 N -0.13 3.36 -4.08 0.00 0.28 -1.26 -2.01 120.64 116.79 1drs n GLU 53 Ca -0.17 -4.45 -0.10 0.00 -0.16 0.00 0.00 57.16 52.28 1drs n GLU 53 Cb 0.63 -2.22 -0.09 0.00 1.43 0.00 0.00 31.44 31.20 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 -3.53 0.16 -0.15 -1.84 1.04 -1.26 -5.01 113.70 103.10 1drs s SER 54 Ca 0.47 -1.10 -0.29 0.00 0.48 0.00 0.00 55.95 55.51 1drs s SER 54 Cb 0.40 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.88 1drs s SER 54 CO -0.17 -0.84 1.33 -0.62 0.98 0.00 0.00 173.24 173.92 1drs s ASP 55 N -3.04 6.88 0.00 7.02 2.15 -1.26 -3.53 116.67 124.89 1drs s ASP 55 Ca 0.24 1.76 0.00 0.00 0.43 0.00 0.00 52.55 54.99 1drs s ASP 55 Cb 0.05 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1drs s ASP 55 CO 0.04 -0.80 0.00 0.29 -0.17 0.00 0.00 175.17 174.52 1drs n LYS 56 N 6.73 0.00 0.00 4.34 4.01 -1.18 -4.75 118.16 127.31 1drs n LYS 56 Ca 0.15 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.95 1drs n LYS 56 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 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 3.03 0.00 0.00 0.00 4.13 -1.26 -5.07 115.26 116.08 1drs n ASN 58 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1drs n ASN 58 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43