#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 4.98 0.03 5.15 1.09 -1.26 -2.47 121.20 128.71 1drs s ILE 2 Ca 0.00 0.04 -0.18 0.00 -1.10 0.00 0.00 60.65 59.41 1drs s ILE 2 Cb 0.00 -3.27 0.03 0.00 -1.06 0.00 0.00 42.46 38.17 1drs s ILE 2 CO 0.00 0.43 0.39 0.00 -0.10 0.00 0.00 174.94 175.67 1drs s TYR 4 N -2.17 1.67 -0.38 0.00 2.02 -1.26 -1.63 117.35 115.60 1drs s TYR 4 Ca -0.07 0.46 0.11 0.00 -0.37 0.00 0.00 57.07 57.20 1drs s TYR 4 Cb -0.02 -3.84 0.40 0.00 -0.40 0.00 0.00 41.96 38.10 1drs s TYR 4 CO -0.00 -2.73 1.17 -1.71 -1.57 0.00 0.00 175.55 170.70 1drs n ASN 5 N -3.89 -0.84 0.00 2.29 5.15 -0.91 -3.92 115.26 113.13 1drs n ASN 5 Ca 0.13 -2.75 0.00 0.00 -0.60 0.00 0.00 54.58 51.36 1drs n ASN 5 Cb 0.60 0.60 0.00 0.00 -0.53 0.00 0.00 39.78 40.45 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 -0.25 0.00 -4.58 1.20 8.25 -1.20 -4.67 115.22 113.98 1drs n HIS 6 Ca 0.04 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.51 1drs n HIS 6 Cb 0.81 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.91 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 -0.92 -4.61 117.00 118.19 1drs n LEU 7 Ca 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1drs n LEU 7 Cb 0.00 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1drs n LEU 7 CO 0.00 -1.39 0.00 0.61 -1.22 0.00 0.00 177.39 175.39 1drs n GLY 8 N -0.31 2.31 0.00 -0.72 0.00 -1.26 -3.21 105.19 102.00 1drs n GLY 8 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.75 2.61 -1.04 -1.26 -5.08 114.28 105.75 1drs n THR 9 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1drs n THR 9 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 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 -1.00 3.20 0.17 -2.82 -0.14 -1.20 -5.06 119.74 112.90 1drs s LYS 10 Ca 0.00 -0.78 0.24 0.00 -1.36 0.00 0.00 55.97 54.07 1drs s LYS 10 Cb 0.00 -3.37 0.29 0.00 -1.68 0.00 0.00 37.83 33.07 1drs s LYS 10 CO 0.00 -0.40 1.31 -1.35 -0.76 0.00 0.00 175.35 174.15 1drs h PRO 11 N 8.24 0.00 0.00 -1.68 0.11 -1.93 -2.45 132.00 134.29 1drs h PRO 11 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1drs h PRO 11 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1drs h PRO 11 CO 0.60 0.00 -0.09 -1.35 -0.21 0.00 0.00 178.00 176.95 1drs h PRO 12 N 0.00 0.00 -6.80 1.05 0.11 -1.97 -3.39 132.00 121.00 1drs h PRO 12 Ca 0.00 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.62 1drs h PRO 12 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1drs h PRO 12 CO 0.00 0.09 0.39 0.95 -0.21 0.00 0.00 178.00 179.22 1drs s THR 13 N -3.31 3.88 0.03 -1.15 -4.23 -1.26 -5.00 115.64 104.59 1drs s THR 13 Ca 0.05 1.81 0.05 0.00 -1.18 0.00 0.00 61.69 62.41 1drs s THR 13 Cb 0.07 -4.12 -0.02 0.00 1.34 0.00 0.00 72.50 69.77 1drs s THR 13 CO 0.65 0.37 -0.14 0.42 -0.54 0.00 0.00 174.62 175.37 1drs s THR 14 N -1.27 1.13 -0.38 3.99 -4.23 -1.26 -2.15 115.64 111.47 1drs s THR 14 Ca 0.45 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.97 1drs s THR 14 Cb -0.27 -1.01 0.07 0.00 1.34 0.00 0.00 72.50 72.64 1drs s THR 14 CO 0.33 0.08 0.17 -0.70 -0.54 0.00 0.00 174.62 173.96 1drs s GLU 15 N -0.97 2.47 -0.51 3.99 2.56 -0.64 -4.89 118.70 120.71 1drs s GLU 15 Ca 0.03 -1.42 -0.23 0.00 0.00 0.00 0.00 54.97 53.34 1drs s GLU 15 Cb -0.07 -3.58 0.04 0.00 2.00 0.00 0.00 34.13 32.52 1drs s GLU 15 CO 0.01 -0.85 0.87 0.99 -0.56 0.00 0.00 175.26 175.71 1drs s THR 16 N 1.34 4.52 0.06 -1.70 2.01 -1.26 -2.57 115.64 118.04 1drs s THR 16 Ca 0.02 0.29 0.09 0.00 0.31 0.00 0.00 61.69 62.40 1drs s THR 16 Cb -0.22 -4.45 -0.03 0.00 0.01 0.00 0.00 72.50 67.82 1drs s THR 16 CO 0.01 -0.95 -0.25 0.00 -0.69 0.00 0.00 174.62 172.74 1drs n GLN 18 N 1.53 2.87 -3.70 0.00 3.00 -1.26 -1.31 117.38 118.51 1drs n GLN 18 Ca -0.17 -2.45 -0.11 0.00 -0.01 0.00 0.00 57.00 54.26 1drs n GLN 18 Cb 0.52 -2.25 -0.12 0.00 0.00 0.00 0.00 30.24 28.39 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 -1.24 0.31 0.28 -1.09 2.02 -1.26 -4.95 118.70 112.77 1drs s GLU 19 Ca 0.59 0.71 -0.03 0.00 0.02 0.00 0.00 54.97 56.25 1drs s GLU 19 Cb 0.33 -0.04 0.59 0.00 0.10 0.00 0.00 34.13 35.10 1drs s GLU 19 CO -0.17 -0.17 1.58 -0.44 0.02 0.00 0.00 175.26 176.08 1drs h ASP 20 N 7.25 -0.60 -2.77 -0.19 3.32 -1.91 0.87 116.42 122.39 1drs h ASP 20 Ca -0.36 0.27 -0.51 0.00 0.02 0.00 0.00 57.03 56.44 1drs h ASP 20 Cb 1.17 0.50 -0.14 0.00 0.22 0.00 0.00 39.33 41.08 1drs h ASP 20 CO 0.31 -0.31 -0.67 -0.44 -1.72 0.00 0.00 179.24 176.41 1drs s SER 21 N -5.13 2.92 0.19 6.45 0.01 -1.26 -4.10 113.70 112.78 1drs s SER 21 Ca -0.14 -1.20 -0.10 0.00 1.31 0.00 0.00 55.95 55.83 1drs s SER 21 Cb 0.27 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.29 1drs s SER 21 CO 0.77 -0.33 0.34 0.00 0.41 0.00 0.00 173.24 174.43 1drs s TYR 23 N -3.99 2.70 -0.25 0.00 -0.85 -0.79 -1.63 117.35 112.55 1drs s TYR 23 Ca 0.20 -0.17 0.03 0.00 -0.52 0.00 0.00 57.07 56.61 1drs s TYR 23 Cb 0.02 -1.48 0.06 0.00 0.38 0.00 0.00 41.96 40.94 1drs s TYR 23 CO 0.03 0.35 -0.11 0.15 -1.52 0.00 0.00 175.55 174.46 1drs s LYS 24 N -1.75 2.23 -0.14 -3.49 1.02 -0.49 -2.68 119.74 114.44 1drs s LYS 24 Ca 0.18 -1.26 -0.00 0.00 0.02 0.00 0.00 55.97 54.90 1drs s LYS 24 Cb -0.11 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 1drs s LYS 24 CO 0.09 -0.54 -0.12 1.21 -0.92 0.00 0.00 175.35 175.07 1drs s ASN 25 N 1.15 4.05 0.00 2.83 2.47 -1.26 -3.18 114.94 121.00 1drs s ASN 25 Ca -0.07 -0.33 0.00 0.00 0.42 0.00 0.00 52.86 52.88 1drs s ASN 25 Cb -0.19 -1.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.98 1drs s ASN 25 CO -0.06 0.15 0.00 2.30 -3.72 0.00 0.00 177.10 175.77 1drs n ILE 26 N 3.61 0.00 0.00 -5.21 -0.00 -1.25 -2.42 119.36 114.09 1drs n ILE 26 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 1drs n ILE 26 Cb 0.53 -0.08 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 -1.45 0.00 0.00 4.28 2.14 -1.26 -2.11 117.44 119.05 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 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.67 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 0.00 0.00 -1.67 5.66 -1.26 -1.82 114.28 115.19 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 -1.97 0.00 1.24 1.09 7.35 -1.26 -4.77 117.46 119.14 1drs n PHE 29 Ca 0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 1drs n PHE 29 Cb 0.00 0.00 0.49 0.00 0.35 0.00 0.00 39.48 40.32 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 1.46 0.53 -2.65 -2.13 5.75 -1.25 -5.01 116.55 113.25 1drs n ASP 30 Ca 0.00 -0.44 -0.02 0.00 -0.01 0.00 0.00 54.79 54.32 1drs n ASP 30 Cb 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.06 -6.53 -3.48 -1.12 5.15 -0.75 -5.07 115.26 102.40 1drs n ASN 31 Ca 0.11 0.10 -0.13 0.00 -0.60 0.00 0.00 54.58 54.06 1drs n ASN 31 Cb 0.31 -4.36 -0.03 0.00 -0.53 0.00 0.00 39.78 35.17 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 -2.75 0.01 -0.74 -1.44 1.10 -0.89 -5.04 121.20 111.45 1drs s ILE 32 Ca 0.06 -0.08 -0.17 0.00 -0.51 0.00 0.00 60.65 59.96 1drs s ILE 32 Cb -0.02 -1.01 0.16 0.00 0.15 0.00 0.00 42.46 41.74 1drs s ILE 32 CO 0.58 -0.04 0.78 -0.63 -2.11 0.00 0.00 174.94 173.52 1drs s ILE 33 N -3.10 5.15 -0.03 2.00 -1.09 -1.26 -3.93 121.20 118.94 1drs s ILE 33 Ca -0.02 -1.73 -0.01 0.00 -2.23 0.00 0.00 60.65 56.66 1drs s ILE 33 Cb -0.01 -4.52 0.03 0.00 -1.58 0.00 0.00 42.46 36.39 1drs s ILE 33 CO -0.07 -1.13 0.06 -0.60 -1.23 0.00 0.00 174.94 171.97 1drs s ARG 34 N 1.59 -0.02 0.00 2.79 3.52 -1.01 -4.65 118.95 121.17 1drs s ARG 34 Ca 0.17 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 1drs s ARG 34 Cb -0.16 -0.28 0.00 0.00 -1.56 0.00 0.00 34.95 32.95 1drs s ARG 34 CO -0.03 -0.20 0.00 2.89 -0.81 0.00 0.00 175.30 177.15 1drs n ARG 35 N 4.40 0.00 -3.75 5.12 -4.01 -1.26 -4.42 116.66 112.74 1drs n ARG 35 Ca -0.23 0.00 0.04 0.00 -1.04 0.00 0.00 57.85 56.62 1drs n ARG 35 Cb 0.50 0.00 0.01 0.00 -3.04 0.00 0.00 32.46 29.93 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 0.13 3.67 2.89 0.00 -1.09 -4.23 105.19 106.56 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 4.06 -0.22 6.45 0.00 0.00 -1.13 -4.88 105.19 109.47 1drs n GLY 38 Ca 0.17 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 -2.21 -3.90 0.00 3.72 -1.26 -4.99 117.46 108.82 1drs n PHE 40 Ca 0.00 0.82 -0.29 0.00 -0.05 0.00 0.00 57.45 57.93 1drs n PHE 40 Cb 0.00 -4.34 -0.12 0.00 -0.94 0.00 0.00 39.48 34.08 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 -3.45 2.90 -0.76 4.37 -1.32 -1.26 -5.03 115.64 111.10 1drs s THR 41 Ca 0.25 -4.13 -0.15 0.00 -1.21 0.00 0.00 61.69 56.46 1drs s THR 41 Cb -0.05 -2.91 0.20 0.00 -1.51 0.00 0.00 72.50 68.22 1drs s THR 41 CO 0.77 -0.98 0.70 -2.16 -2.21 0.00 0.00 174.62 170.75 1drs s PRO 42 N -1.28 3.45 0.00 7.08 0.04 -1.26 -4.52 135.00 138.51 1drs s PRO 42 Ca 0.24 -2.26 0.00 0.00 0.04 0.00 0.00 61.00 59.02 1drs s PRO 42 Cb -0.08 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.06 1drs s PRO 42 CO -0.14 -1.31 0.00 -2.13 0.04 0.00 0.00 177.00 173.46 1drs n ARG 43 N 4.33 0.00 -3.93 4.56 0.63 -1.26 -5.12 116.66 115.87 1drs n ARG 43 Ca 0.07 0.26 -0.23 0.00 -0.92 0.00 0.00 57.85 57.03 1drs n ARG 43 Cb 0.45 -0.58 -0.02 0.00 0.45 0.00 0.00 32.46 32.76 1drs n ARG 43 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1drs s GLY 44 N -0.14 1.38 -0.17 5.14 0.00 -1.26 -5.04 107.32 107.22 1drs s GLY 44 Ca 0.00 -1.15 0.14 0.00 0.00 0.00 0.00 44.72 43.71 1drs s GLY 44 CO 0.00 -1.16 1.21 1.22 0.00 0.00 0.00 173.10 174.37 1drs n ASP 45 N -1.15 1.60 -3.66 1.64 8.00 -1.26 -5.04 116.55 116.68 1drs n ASP 45 Ca -0.08 -3.57 -0.10 0.00 0.71 0.00 0.00 54.79 51.74 1drs n ASP 45 Cb 0.56 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 41.13 1drs n ASP 45 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1drs s MET 46 N -2.67 1.20 -0.00 -1.24 0.23 -1.26 -5.12 119.30 110.43 1drs s MET 46 Ca 0.37 -0.76 -0.30 0.00 -1.03 0.00 0.00 55.69 53.98 1drs s MET 46 Cb 0.37 0.50 -0.09 0.00 -1.53 0.00 0.00 34.83 34.08 1drs s MET 46 CO -0.09 -0.49 2.01 -0.35 -2.03 0.00 0.00 175.02 174.07 1drs n PRO 47 N -0.28 2.72 -3.85 3.16 -0.04 -1.26 -4.95 135.00 130.49 1drs n PRO 47 Ca -0.14 0.97 -0.36 0.00 -0.04 0.00 0.00 63.50 63.94 1drs n PRO 47 Cb 0.63 -3.03 -0.13 0.00 -0.04 0.00 0.00 33.50 30.93 1drs n PRO 47 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1drs s GLY 48 N 5.02 1.70 1.28 0.55 0.00 -1.26 -5.13 107.32 109.48 1drs s GLY 48 Ca 0.91 -1.42 -0.21 0.00 0.00 0.00 0.00 44.72 44.00 1drs s GLY 48 CO 0.42 0.57 0.74 -1.05 0.00 0.00 0.00 173.10 173.77 1drs n PRO 49 N 4.78 -4.28 -3.32 2.90 -0.02 -1.26 -5.04 135.00 128.76 1drs n PRO 49 Ca -0.16 -1.24 -0.37 0.00 -2.02 0.00 0.00 63.50 59.71 1drs n PRO 49 Cb 0.48 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.97 3.74 0.08 6.00 1.13 -1.19 -4.91 117.35 120.22 1drs s TYR 50 Ca 0.57 1.18 0.08 0.00 -1.41 0.00 0.00 57.07 57.49 1drs s TYR 50 Cb -0.10 -2.44 -0.04 0.00 -1.10 0.00 0.00 41.96 38.29 1drs s TYR 50 CO 0.48 0.54 -0.17 0.00 -2.51 0.00 0.00 175.55 173.89 1drs n GLU 53 N 1.22 0.68 -4.49 0.00 0.28 -1.26 -1.73 120.64 115.35 1drs n GLU 53 Ca -0.14 -2.28 -0.23 0.00 -0.16 0.00 0.00 57.16 54.35 1drs n GLU 53 Cb 0.52 -0.83 -0.10 0.00 1.43 0.00 0.00 31.44 32.46 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 -2.31 2.63 0.07 -1.84 1.04 -1.26 -4.88 113.70 107.14 1drs s SER 54 Ca 0.28 -1.43 -0.31 0.00 0.48 0.00 0.00 55.95 54.98 1drs s SER 54 Cb 0.29 -0.01 -0.06 0.00 0.10 0.00 0.00 66.02 66.33 1drs s SER 54 CO -0.07 -0.64 1.25 -0.62 0.98 0.00 0.00 173.24 174.13 1drs s ASP 55 N -3.54 7.02 0.00 7.02 2.15 -1.26 -4.49 116.67 123.57 1drs s ASP 55 Ca 0.34 2.08 0.00 0.00 0.43 0.00 0.00 52.55 55.40 1drs s ASP 55 Cb 0.08 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1drs s ASP 55 CO 0.15 -0.52 0.00 0.29 -0.17 0.00 0.00 175.17 174.92 1drs n LYS 56 N 4.00 0.00 -3.08 4.34 4.76 -1.19 -4.69 118.16 122.31 1drs n LYS 56 Ca 0.10 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.45 1drs n LYS 56 Cb 0.45 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.68 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 -2.59 0.00 0.00 0.00 3.02 -1.26 -5.14 115.26 109.29 1drs n ASN 58 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1drs n ASN 58 Cb 0.57 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82