#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9g n SER 2 N 0.00 2.26 -0.07 1.61 7.64 -1.26 -4.95 113.62 118.85 2d9g n SER 2 Ca 0.00 1.01 -0.22 0.00 1.01 0.00 0.00 58.87 60.67 2d9g n SER 2 Cb 0.00 -1.50 -0.12 0.00 -1.01 0.00 0.00 64.21 61.57 2d9g n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d9g n SER 3 N -0.34 2.01 -2.98 6.43 3.41 -1.26 -4.98 113.62 115.90 2d9g n SER 3 Ca 0.09 0.23 -0.11 0.00 -0.26 0.00 0.00 58.87 58.82 2d9g n SER 3 Cb 0.42 -0.82 0.07 0.00 -0.26 0.00 0.00 64.21 63.62 2d9g n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d9g n GLY 4 N 1.78 -0.16 3.76 5.00 0.00 -1.26 -5.04 105.19 109.27 2d9g n GLY 4 Ca -0.37 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 2d9g n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9g s SER 5 N -2.92 7.10 -0.07 1.61 0.01 -1.26 -4.99 113.70 113.19 2d9g s SER 5 Ca 0.30 2.21 -0.12 0.00 1.31 0.00 0.00 55.95 59.65 2d9g s SER 5 Cb -0.01 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.52 2d9g s SER 5 CO 0.21 -0.26 0.49 0.28 0.41 0.00 0.00 173.24 174.36 2d9g h SER 6 N 3.41 -0.22 -3.00 2.44 0.02 -1.98 -3.51 113.55 110.71 2d9g h SER 6 Ca -0.47 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2d9g h SER 6 Cb 1.21 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2d9g h SER 6 CO 0.65 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 177.24 2d9g n GLY 7 N 0.96 0.31 3.30 -3.77 0.00 -1.26 -5.14 105.19 99.59 2d9g n GLY 7 Ca -0.05 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.05 2d9g n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2d9g s ASP 8 N -2.98 2.17 -0.42 1.61 1.47 -1.26 -5.12 116.67 112.15 2d9g s ASP 8 Ca 0.00 -1.02 -0.17 0.00 1.18 0.00 0.00 52.55 52.53 2d9g s ASP 8 Cb 0.00 -0.07 0.02 0.00 -0.34 0.00 0.00 42.92 42.53 2d9g s ASP 8 CO 0.00 -0.26 0.45 -0.70 0.68 0.00 0.00 175.17 175.33 2d9g s GLU 9 N -3.70 3.14 0.00 2.11 2.56 -1.26 -4.78 118.70 116.76 2d9g s GLU 9 Ca 0.20 -0.71 0.00 0.00 0.00 0.00 0.00 54.97 54.46 2d9g s GLU 9 Cb 0.01 -3.96 0.00 0.00 2.00 0.00 0.00 34.13 32.19 2d9g s GLU 9 CO 0.04 -0.84 0.00 0.41 -0.56 0.00 0.00 175.26 174.31 2d9g n GLY 10 N 5.09 -0.97 3.50 -1.50 0.00 -1.26 -5.07 105.19 104.98 2d9g n GLY 10 Ca -0.07 0.32 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 2d9g n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2d9g s TYR 11 N 0.00 -0.57 -0.01 1.61 -0.85 -1.26 -1.43 117.35 114.83 2d9g s TYR 11 Ca 0.00 0.80 0.06 0.00 -0.52 0.00 0.00 57.07 57.41 2d9g s TYR 11 Cb 0.00 0.46 -0.02 0.00 0.38 0.00 0.00 41.96 42.79 2d9g s TYR 11 CO 0.00 -0.64 -0.19 1.67 -1.52 0.00 0.00 175.55 174.87 2d9g s TRP 12 N -1.99 1.68 0.23 -3.49 1.48 -1.08 -4.83 118.94 110.93 2d9g s TRP 12 Ca -0.06 -0.32 -0.28 0.00 -1.06 0.00 0.00 56.10 54.38 2d9g s TRP 12 Cb -0.00 -1.08 -0.09 0.00 -1.16 0.00 0.00 33.47 31.14 2d9g s TRP 12 CO 0.02 -0.02 0.90 0.16 -4.06 0.00 0.00 176.95 173.94 2d9g s ASP 13 N -0.49 7.55 0.54 -2.66 1.47 -1.26 -3.36 116.67 118.46 2d9g s ASP 13 Ca 0.07 1.86 -0.05 0.00 1.18 0.00 0.00 52.55 55.61 2d9g s ASP 13 Cb -0.07 -2.58 -0.01 0.00 -0.34 0.00 0.00 42.92 39.92 2d9g s ASP 13 CO -0.01 0.15 0.84 0.00 0.68 0.00 0.00 175.17 176.83 2d9g n SER 15 N -2.42 2.86 0.08 0.00 7.64 -1.26 -3.69 113.62 116.83 2d9g n SER 15 Ca 0.03 -0.02 -0.04 0.00 1.01 0.00 0.00 58.87 59.85 2d9g n SER 15 Cb 0.57 0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 64.22 2d9g n SER 15 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2d9g h VAL 16 N 0.00 0.00 -0.01 0.44 2.07 -1.98 -3.38 116.25 113.38 2d9g h VAL 16 Ca -0.25 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2d9g h VAL 16 Cb 1.51 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2d9g h VAL 16 CO -0.00 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 177.18 2d9g n THR 18 N -0.15 -1.08 -2.93 0.00 -2.24 -1.24 -4.94 114.28 101.69 2d9g n THR 18 Ca 0.07 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 2d9g n THR 18 Cb 0.38 -2.50 -0.06 0.00 -2.10 0.00 0.00 70.33 66.05 2d9g n THR 18 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2d9g s PHE 19 N -2.91 3.80 -0.46 4.78 5.36 -1.26 -4.54 117.98 122.74 2d9g s PHE 19 Ca 0.13 1.64 -0.29 0.00 -0.96 0.00 0.00 56.93 57.46 2d9g s PHE 19 Cb -0.06 -2.79 0.02 0.00 -0.34 0.00 0.00 43.02 39.84 2d9g s PHE 19 CO 0.16 0.39 1.32 0.50 -1.46 0.00 0.00 175.22 176.12 2d9g s ARG 20 N -1.60 3.58 0.16 10.12 3.52 -1.26 -3.32 118.95 130.16 2d9g s ARG 20 Ca 0.42 0.73 0.06 0.00 -0.13 0.00 0.00 55.73 56.81 2d9g s ARG 20 Cb -0.21 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.14 2d9g s ARG 20 CO 0.25 -1.56 0.06 -0.80 -0.81 0.00 0.00 175.30 172.43 2d9g s ASN 21 N 3.49 5.10 0.14 -2.12 0.01 -1.21 -4.96 114.94 115.38 2d9g s ASN 21 Ca 0.55 -0.27 -0.26 0.00 -0.71 0.00 0.00 52.86 52.17 2d9g s ASN 21 Cb -0.11 -1.20 -0.07 0.00 0.41 0.00 0.00 41.25 40.27 2d9g s ASN 21 CO 0.31 0.09 0.79 -0.44 -1.51 0.00 0.00 177.10 176.35 2d9g s SER 22 N -2.96 7.37 0.13 -1.22 0.01 -1.26 -2.65 113.70 113.12 2d9g s SER 22 Ca 0.29 1.63 -0.26 0.00 1.31 0.00 0.00 55.95 58.92 2d9g s SER 22 Cb -0.10 -2.50 -0.06 0.00 0.21 0.00 0.00 66.02 63.57 2d9g s SER 22 CO 0.21 0.15 1.43 0.00 0.41 0.00 0.00 173.24 175.43 2d9g n ALA 23 N 1.94 -0.53 -0.30 1.44 0.00 -0.51 -0.12 120.51 122.42 2d9g n ALA 23 Ca -0.04 0.71 0.06 0.00 0.00 0.00 0.00 53.44 54.16 2d9g n ALA 23 Cb 0.49 -0.04 0.13 0.00 0.00 0.00 0.00 19.45 20.03 2d9g n ALA 23 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2d9g n GLU 24 N -4.89 -0.08 -1.53 0.00 2.13 -1.26 -4.16 120.64 110.85 2d9g n GLU 24 Ca 0.02 1.31 -0.47 0.00 0.66 0.00 0.00 57.16 58.68 2d9g n GLU 24 Cb 0.22 -1.97 -0.05 0.00 0.27 0.00 0.00 31.44 29.90 2d9g n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2d9g n ALA 25 N -3.63 1.44 -0.16 4.31 0.00 0.83 -4.84 120.51 118.45 2d9g n ALA 25 Ca 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2d9g n ALA 25 Cb 0.45 -2.74 0.06 0.00 0.00 0.00 0.00 19.45 17.23 2d9g n ALA 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2d9g h PHE 26 N 13.64 0.28 -0.47 0.00 3.57 -1.83 -3.44 116.94 128.67 2d9g h PHE 26 Ca -0.35 0.03 -0.67 0.00 3.53 0.00 0.00 57.97 60.50 2d9g h PHE 26 Cb 1.28 -0.05 -0.13 0.00 2.79 0.00 0.00 35.95 39.84 2d9g h PHE 26 CO 0.95 0.07 -0.51 -1.59 -2.23 0.00 0.00 178.31 175.00 2d9g s LYS 27 N -6.13 2.18 1.07 1.11 -2.85 -1.26 -4.39 119.74 109.47 2d9g s LYS 27 Ca -0.13 -2.36 -0.12 0.00 -1.00 0.00 0.00 55.97 52.36 2d9g s LYS 27 Cb 0.15 -1.57 0.23 0.00 -2.06 0.00 0.00 37.83 34.58 2d9g s LYS 27 CO 0.73 -0.35 1.07 0.00 0.10 0.00 0.00 175.35 176.90 2d9g n MET 29 N -4.65 1.55 0.02 0.00 1.56 -1.26 -3.75 117.12 110.59 2d9g n MET 29 Ca 0.06 0.03 -0.01 0.00 -0.27 0.00 0.00 57.70 57.50 2d9g n MET 29 Cb 0.54 -1.28 -0.01 0.00 2.15 0.00 0.00 33.22 34.62 2d9g n MET 29 CO 0.00 0.00 0.00 1.98 -0.73 0.00 0.00 175.97 177.22 2d9g h MET 30 N 0.00 -0.07 0.00 2.12 1.85 -1.94 -3.39 114.93 113.50 2d9g h MET 30 Ca -0.31 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 58.76 2d9g h MET 30 Cb 1.61 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 33.66 2d9g h MET 30 CO -0.01 -0.05 -1.00 0.00 -0.40 0.00 0.00 176.91 175.45 2d9g n ASP 32 N -2.75 -2.68 -4.89 0.00 9.92 -1.25 -5.00 116.55 109.91 2d9g n ASP 32 Ca -0.01 -0.45 -0.31 0.00 -0.53 0.00 0.00 54.79 53.49 2d9g n ASP 32 Cb 0.60 -3.92 -0.05 0.00 -0.64 0.00 0.00 41.12 37.11 2d9g n ASP 32 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2d9g s VAL 33 N -3.26 5.07 0.35 2.53 0.11 -1.26 -4.67 120.40 119.26 2d9g s VAL 33 Ca 0.09 0.19 -0.28 0.00 -2.93 0.00 0.00 61.98 59.05 2d9g s VAL 33 Cb -0.04 -3.63 -0.10 0.00 -1.53 0.00 0.00 36.38 31.08 2d9g s VAL 33 CO 0.54 -0.03 1.31 0.00 -3.33 0.00 0.00 175.10 173.59 2d9g s ARG 34 N -2.79 4.27 -0.11 1.54 1.70 -1.26 -2.17 118.95 120.14 2d9g s ARG 34 Ca 0.44 2.22 0.04 0.00 -0.47 0.00 0.00 55.73 57.95 2d9g s ARG 34 Cb -0.12 -3.00 -0.09 0.00 -0.57 0.00 0.00 34.95 31.17 2d9g s ARG 34 CO 0.24 -0.26 -0.05 0.36 -1.08 0.00 0.00 175.30 174.51 2d9g n LYS 35 N 0.65 1.19 -1.64 3.89 2.85 -1.26 -4.94 118.16 118.89 2d9g n LYS 35 Ca 0.01 0.04 -0.42 0.00 -1.05 0.00 0.00 58.31 56.88 2d9g n LYS 35 Cb 0.42 -1.23 -0.03 0.00 -0.65 0.00 0.00 35.03 33.54 2d9g n LYS 35 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2d9g s GLY 36 N -4.73 1.11 0.02 2.58 0.00 -1.26 -4.89 107.32 100.15 2d9g s GLY 36 Ca -0.11 1.13 -0.26 0.00 0.00 0.00 0.00 44.72 45.48 2d9g s GLY 36 CO 0.31 3.60 1.31 -0.84 0.00 0.00 0.00 173.10 177.48 2d9g h THR 37 N 6.19 0.63 -3.26 0.90 2.02 -1.99 -3.44 112.91 113.96 2d9g h THR 37 Ca -0.47 -0.47 -0.49 0.00 0.77 0.00 0.00 66.41 65.75 2d9g h THR 37 Cb 1.24 0.86 0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2d9g h THR 37 CO 0.95 0.09 -0.04 -0.44 0.37 0.00 0.00 175.52 176.44 2d9g s SER 38 N -4.97 6.35 0.10 4.18 0.01 -1.26 -5.02 113.70 113.09 2d9g s SER 38 Ca -0.15 0.75 -0.27 0.00 1.31 0.00 0.00 55.95 57.59 2d9g s SER 38 Cb 0.03 -2.16 -0.12 0.00 0.21 0.00 0.00 66.02 63.97 2d9g s SER 38 CO 0.56 -0.37 1.66 0.74 0.41 0.00 0.00 173.24 176.23 2d9g h THR 39 N 0.77 0.52 -2.92 1.44 2.02 -2.04 -3.45 112.91 109.27 2d9g h THR 39 Ca -0.48 0.00 -0.44 0.00 0.77 0.00 0.00 66.41 66.26 2d9g h THR 39 Cb 1.20 0.52 -0.14 0.00 -1.74 0.00 0.00 68.15 68.00 2d9g h THR 39 CO 0.63 0.00 -0.68 -0.13 0.37 0.00 0.00 175.52 175.71 2d9g s ARG 40 N -6.09 1.43 0.04 6.66 1.81 -1.26 -5.11 118.95 116.44 2d9g s ARG 40 Ca -0.16 -1.71 0.01 0.00 -1.72 0.00 0.00 55.73 52.15 2d9g s ARG 40 Cb 0.07 -0.95 -0.03 0.00 -0.45 0.00 0.00 34.95 33.59 2d9g s ARG 40 CO 0.65 0.01 -0.06 -1.59 -0.68 0.00 0.00 175.30 173.63 2d9g s LYS 41 N -3.76 0.52 -0.32 3.54 0.00 -1.26 -5.10 119.74 113.35 2d9g s LYS 41 Ca 0.28 -0.85 -0.29 0.00 0.00 0.00 0.00 55.97 55.11 2d9g s LYS 41 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 37.83 37.75 2d9g s LYS 41 CO 0.10 -0.01 1.67 -1.25 0.00 0.00 0.00 175.35 175.86 2d9g s PRO 42 N -2.12 3.50 0.57 1.78 0.04 -1.26 -4.97 135.00 132.53 2d9g s PRO 42 Ca -0.07 1.38 -0.20 0.00 0.04 0.00 0.00 61.00 62.16 2d9g s PRO 42 Cb -0.06 -4.12 -0.05 0.00 0.04 0.00 0.00 34.50 30.31 2d9g s PRO 42 CO -0.02 -1.66 1.07 0.54 0.04 0.00 0.00 177.00 176.97 2d9g n ARG 43 N 8.17 1.14 -0.68 4.56 1.74 -1.26 -4.99 116.66 125.34 2d9g n ARG 43 Ca 0.21 0.43 -0.20 0.00 -0.77 0.00 0.00 57.85 57.52 2d9g n ARG 43 Cb 0.47 -2.26 0.16 0.00 -1.02 0.00 0.00 32.46 29.81 2d9g n ARG 43 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2d9g n PRO 44 N -0.89 -2.41 -4.31 5.56 -0.04 -1.26 -5.05 135.00 126.60 2d9g n PRO 44 Ca 0.12 -1.14 -0.34 0.00 -0.04 0.00 0.00 63.50 62.10 2d9g n PRO 44 Cb 0.46 -1.07 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 2d9g n PRO 44 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2d9g s VAL 45 N -2.30 4.29 0.87 0.52 -7.23 -1.26 -5.11 120.40 110.18 2d9g s VAL 45 Ca 0.46 -0.23 -0.12 0.00 -1.81 0.00 0.00 61.98 60.28 2d9g s VAL 45 Cb -0.05 -2.85 0.15 0.00 0.56 0.00 0.00 36.38 34.19 2d9g s VAL 45 CO 0.36 0.54 1.21 -0.55 -0.31 0.00 0.00 175.10 176.35 2d9g s SER 46 N -0.27 3.73 0.22 4.85 0.15 -1.26 -5.07 113.70 116.06 2d9g s SER 46 Ca 0.06 0.26 -0.09 0.00 0.70 0.00 0.00 55.95 56.88 2d9g s SER 46 Cb -0.12 -0.50 -0.07 0.00 -1.71 0.00 0.00 66.02 63.62 2d9g s SER 46 CO 0.02 -2.33 0.53 -1.10 1.20 0.00 0.00 173.24 171.56 2d9g s GLN 47 N -5.64 3.77 0.57 5.44 -1.52 -1.26 -5.05 119.66 115.98 2d9g s GLN 47 Ca 0.69 0.22 -0.20 0.00 -1.95 0.00 0.00 55.36 54.12 2d9g s GLN 47 Cb -0.06 -2.67 -0.05 0.00 -0.22 0.00 0.00 33.01 30.01 2d9g s GLN 47 CO 0.50 0.33 1.10 0.45 -0.25 0.00 0.00 175.29 177.42 2d9g n SER 48 N -0.14 1.41 0.00 5.90 2.88 -1.26 -4.85 113.62 117.57 2d9g n SER 48 Ca 0.00 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 2d9g n SER 48 Cb 0.52 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 2d9g n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d9g n GLY 49 N 1.11 2.54 3.75 0.46 0.00 -1.26 -5.02 105.19 106.77 2d9g n GLY 49 Ca 0.13 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 2d9g n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9g s PRO 50 N -3.31 4.42 0.01 1.61 0.04 -1.26 -4.96 135.00 131.55 2d9g s PRO 50 Ca 0.00 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.02 2d9g s PRO 50 Cb 0.00 -3.16 -0.30 0.00 0.04 0.00 0.00 34.50 31.08 2d9g s PRO 50 CO 0.00 -0.15 0.87 0.66 0.04 0.00 0.00 177.00 178.42 2d9g h SER 51 N 4.59 0.51 -5.51 6.66 4.64 -1.95 -3.48 113.55 119.01 2d9g h SER 51 Ca -0.46 -0.67 -0.23 0.00 -0.47 0.00 0.00 61.79 59.96 2d9g h SER 51 Cb 1.22 -0.17 -0.11 0.00 -0.31 0.00 0.00 62.40 63.03 2d9g h SER 51 CO 0.72 1.55 -0.32 -0.44 -0.87 0.00 0.00 176.83 177.47 2d9g s SER 52 N -7.16 0.54 0.00 4.97 0.01 -1.26 -5.28 113.70 105.52 2d9g s SER 52 Ca -0.10 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 55.82 2d9g s SER 52 Cb 0.06 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2d9g s SER 52 CO 0.87 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 174.02