#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9g s SER 2 N 0.00 6.64 0.25 1.61 1.04 -1.26 -5.08 113.70 116.91 2d9g s SER 2 Ca 0.00 0.76 0.01 0.00 0.48 0.00 0.00 55.95 57.20 2d9g s SER 2 Cb 0.00 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.85 2d9g s SER 2 CO 0.00 0.15 0.21 -0.55 0.98 0.00 0.00 173.24 174.03 2d9g s SER 3 N -0.02 0.66 0.00 7.02 0.15 -1.26 -5.01 113.70 115.24 2d9g s SER 3 Ca 0.22 -1.49 0.00 0.00 0.70 0.00 0.00 55.95 55.38 2d9g s SER 3 Cb -0.15 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2d9g s SER 3 CO 0.09 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2d9g n GLY 4 N -0.40 2.86 0.20 9.45 0.00 -1.26 -4.99 105.19 111.06 2d9g n GLY 4 Ca 0.03 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 2d9g n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d9g h SER 5 N 0.09 -0.47 -1.82 1.61 0.02 -2.06 -3.40 113.55 107.51 2d9g h SER 5 Ca 0.00 0.08 -0.60 0.00 -0.84 0.00 0.00 61.79 60.42 2d9g h SER 5 Cb 0.00 0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2d9g h SER 5 CO 0.00 -0.21 1.45 -1.20 -1.14 0.00 0.00 176.83 175.73 2d9g n SER 6 N -5.30 3.09 0.00 3.07 7.64 -1.26 -4.64 113.62 116.23 2d9g n SER 6 Ca -0.04 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2d9g n SER 6 Cb 0.21 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 2d9g n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d9g n GLY 7 N 5.81 -0.04 3.17 0.23 0.00 -1.26 -5.07 105.19 108.03 2d9g n GLY 7 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 2d9g n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d9g s ASP 8 N -4.69 4.08 0.79 1.61 1.11 -1.26 -5.11 116.67 113.19 2d9g s ASP 8 Ca 0.00 -0.86 -0.11 0.00 0.18 0.00 0.00 52.55 51.76 2d9g s ASP 8 Cb 0.00 -1.62 0.06 0.00 1.07 0.00 0.00 42.92 42.44 2d9g s ASP 8 CO 0.00 -0.10 1.09 -1.83 1.18 0.00 0.00 175.17 175.51 2d9g s GLU 9 N 1.30 2.16 0.00 8.23 1.03 -1.26 -4.73 118.70 125.42 2d9g s GLU 9 Ca 0.00 0.67 0.00 0.00 0.03 0.00 0.00 54.97 55.68 2d9g s GLU 9 Cb -0.16 -1.92 0.00 0.00 -0.80 0.00 0.00 34.13 31.25 2d9g s GLU 9 CO -0.06 -1.58 0.00 0.41 -1.33 0.00 0.00 175.26 172.70 2d9g n GLY 10 N -2.07 2.23 3.75 -3.83 0.00 -1.26 -5.01 105.19 99.01 2d9g n GLY 10 Ca 0.07 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 3.30 -0.14 1.61 1.13 -1.26 -1.03 117.35 120.97 2d9g s TYR 11 Ca 0.00 1.45 0.02 0.00 -1.41 0.00 0.00 57.07 57.13 2d9g s TYR 11 Cb 0.00 -3.51 0.00 0.00 -1.10 0.00 0.00 41.96 37.35 2d9g s TYR 11 CO 0.00 -1.40 -0.19 1.67 -2.51 0.00 0.00 175.55 173.11 2d9g s TRP 12 N -0.69 2.70 0.07 -3.49 1.48 -1.10 -4.88 118.94 113.04 2d9g s TRP 12 Ca 0.50 -1.13 -0.30 0.00 -1.06 0.00 0.00 56.10 54.11 2d9g s TRP 12 Cb -0.36 -1.82 -0.05 0.00 -1.16 0.00 0.00 33.47 30.07 2d9g s TRP 12 CO 0.44 -0.50 1.12 0.16 -4.06 0.00 0.00 176.95 174.11 2d9g s ASP 13 N 0.69 7.19 0.68 -2.66 1.47 -1.26 -3.45 116.67 119.34 2d9g s ASP 13 Ca -0.09 1.95 -0.11 0.00 1.18 0.00 0.00 52.55 55.47 2d9g s ASP 13 Cb -0.16 -2.58 -0.00 0.00 -0.34 0.00 0.00 42.92 39.84 2d9g s ASP 13 CO 0.01 -0.36 1.08 0.00 0.68 0.00 0.00 175.17 176.58 2d9g n SER 15 N -2.94 3.38 0.16 0.00 2.88 -1.26 -3.77 113.62 112.07 2d9g n SER 15 Ca 0.07 -0.01 -0.07 0.00 -1.33 0.00 0.00 58.87 57.53 2d9g n SER 15 Cb 0.56 0.55 -0.03 0.00 -0.75 0.00 0.00 64.21 64.54 2d9g n SER 15 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2d9g h VAL 16 N 0.00 0.00 -0.58 2.46 2.07 -1.98 -3.35 116.25 114.87 2d9g h VAL 16 Ca -0.18 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2d9g h VAL 16 Cb 1.39 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2d9g h VAL 16 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2d9g n THR 18 N 1.28 -0.30 -2.11 0.00 5.66 -1.25 -4.90 114.28 112.67 2d9g n THR 18 Ca 0.20 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.93 2d9g n THR 18 Cb 0.56 -0.76 0.07 0.00 -1.55 0.00 0.00 70.33 68.65 2d9g n THR 18 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2d9g s PHE 19 N -2.43 2.93 -0.13 1.09 5.36 -1.26 -4.69 117.98 118.85 2d9g s PHE 19 Ca 0.16 0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 56.63 2d9g s PHE 19 Cb -0.09 -3.28 -0.03 0.00 -0.34 0.00 0.00 43.02 39.28 2d9g s PHE 19 CO 0.19 -1.51 -0.01 0.50 -1.46 0.00 0.00 175.22 172.93 2d9g s ARG 20 N -5.34 3.40 0.29 10.12 6.06 -1.26 -1.76 118.95 130.46 2d9g s ARG 20 Ca 0.61 -0.45 0.02 0.00 -2.50 0.00 0.00 55.73 53.41 2d9g s ARG 20 Cb -0.11 -2.90 -0.04 0.00 0.06 0.00 0.00 34.95 31.96 2d9g s ARG 20 CO 0.46 0.45 0.14 -0.80 -2.50 0.00 0.00 175.30 173.05 2d9g s ASN 21 N -0.19 1.42 0.11 -2.12 0.01 -1.22 -4.92 114.94 108.02 2d9g s ASN 21 Ca 0.05 -1.50 0.06 0.00 -0.71 0.00 0.00 52.86 50.76 2d9g s ASN 21 Cb -0.13 0.32 -0.04 0.00 0.41 0.00 0.00 41.25 41.82 2d9g s ASN 21 CO 0.02 -0.84 -0.04 -0.44 -1.51 0.00 0.00 177.10 174.29 2d9g s SER 22 N -3.35 4.73 0.14 -1.22 0.01 -1.26 -2.71 113.70 110.04 2d9g s SER 22 Ca 0.36 -0.30 -0.31 0.00 1.31 0.00 0.00 55.95 57.00 2d9g s SER 22 Cb 0.06 -1.02 -0.08 0.00 0.21 0.00 0.00 66.02 65.19 2d9g s SER 22 CO 0.16 0.16 1.55 0.00 0.41 0.00 0.00 173.24 175.52 2d9g h ALA 23 N 3.36 -0.67 -1.15 1.44 0.00 -1.42 0.27 119.26 121.10 2d9g h ALA 23 Ca -0.48 0.04 0.40 0.00 0.00 0.00 0.00 54.91 54.87 2d9g h ALA 23 Cb 1.17 1.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.96 2d9g h ALA 23 CO 0.56 -1.00 0.69 1.05 0.00 0.00 0.00 179.25 180.55 2d9g h GLU 24 N -0.31 0.12 -6.13 0.00 4.11 -1.96 -3.38 114.58 107.03 2d9g h GLU 24 Ca 0.11 -0.01 -0.57 0.00 0.07 0.00 0.00 59.36 58.95 2d9g h GLU 24 Cb 0.56 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2d9g h GLU 24 CO -0.67 0.08 1.38 0.00 0.07 0.00 0.00 179.01 179.88 2d9g n ALA 25 N -2.39 1.64 -0.17 1.06 0.00 0.96 -4.86 120.51 116.75 2d9g n ALA 25 Ca 0.36 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.69 2d9g n ALA 25 Cb 1.27 -2.80 0.04 0.00 0.00 0.00 0.00 19.45 17.96 2d9g n ALA 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2d9g h PHE 26 N 13.12 0.56 -4.51 0.00 -0.00 -1.84 -3.46 116.94 120.81 2d9g h PHE 26 Ca -0.44 0.02 -0.22 0.00 -0.00 0.00 0.00 57.97 57.32 2d9g h PHE 26 Cb 1.25 -0.18 -0.14 0.00 -0.00 0.00 0.00 35.95 36.87 2d9g h PHE 26 CO 0.94 0.31 -0.58 0.15 -0.00 0.00 0.00 178.31 179.14 2d9g s LYS 27 N -6.14 1.23 0.98 6.09 1.02 -1.26 -4.54 119.74 117.13 2d9g s LYS 27 Ca -0.13 -1.60 -0.14 0.00 0.02 0.00 0.00 55.97 54.12 2d9g s LYS 27 Cb 0.13 0.29 0.04 0.00 -0.52 0.00 0.00 37.83 37.77 2d9g s LYS 27 CO 0.74 -0.41 0.29 0.00 -0.92 0.00 0.00 175.35 175.05 2d9g n MET 29 N -1.64 3.03 0.07 0.00 1.56 -1.26 -3.85 117.12 115.03 2d9g n MET 29 Ca 0.05 -0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.44 2d9g n MET 29 Cb 0.55 -1.14 -0.02 0.00 2.15 0.00 0.00 33.22 34.76 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 -0.23 0.00 2.12 1.85 -1.93 -3.37 114.93 113.36 2d9g h MET 30 Ca -0.15 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.95 2d9g h MET 30 Cb 1.35 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.43 2d9g h MET 30 CO 0.01 -0.16 -1.00 0.00 -0.40 0.00 0.00 176.91 175.36 2d9g n ASP 32 N -2.20 -5.14 -4.78 0.00 9.92 -1.25 -4.99 116.55 108.11 2d9g n ASP 32 Ca 0.01 -0.47 -0.36 0.00 -0.53 0.00 0.00 54.79 53.44 2d9g n ASP 32 Cb 0.48 -4.39 -0.07 0.00 -0.64 0.00 0.00 41.12 36.49 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 -3.28 5.40 0.45 2.53 0.11 -1.26 -4.79 120.40 119.55 2d9g s VAL 33 Ca 0.42 0.30 -0.24 0.00 -2.93 0.00 0.00 61.98 59.52 2d9g s VAL 33 Cb -0.18 -3.49 -0.09 0.00 -1.53 0.00 0.00 36.38 31.08 2d9g s VAL 33 CO 0.62 0.49 1.23 -1.14 -3.33 0.00 0.00 175.10 172.97 2d9g n ARG 34 N 3.00 1.75 -0.07 1.54 0.63 -1.26 -2.86 116.66 119.41 2d9g n ARG 34 Ca -0.16 0.63 -0.09 0.00 -0.92 0.00 0.00 57.85 57.31 2d9g n ARG 34 Cb 0.53 -2.35 -0.07 0.00 0.45 0.00 0.00 32.46 31.02 2d9g n ARG 34 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2d9g n LYS 35 N -0.15 0.81 0.00 -0.14 2.85 -1.26 -4.93 118.16 115.34 2d9g n LYS 35 Ca 0.08 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 2d9g n LYS 35 Cb 0.41 -1.28 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 2d9g n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2d9g n GLY 36 N 2.71 -0.03 3.87 2.58 0.00 -1.26 -5.02 105.19 108.04 2d9g n GLY 36 Ca -0.23 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 2d9g n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d9g s THR 37 N 0.00 4.91 0.21 2.61 2.01 -1.26 -5.02 115.64 119.10 2d9g s THR 37 Ca 0.00 0.51 -0.32 0.00 0.31 0.00 0.00 61.69 62.19 2d9g s THR 37 Cb 0.00 -3.62 -0.13 0.00 0.01 0.00 0.00 72.50 68.76 2d9g s THR 37 CO 0.00 -0.06 1.66 -1.20 -0.69 0.00 0.00 174.62 174.32 2d9g n SER 38 N -0.11 3.68 0.27 3.53 7.64 -1.26 -4.86 113.62 122.50 2d9g n SER 38 Ca 0.00 1.08 0.14 0.00 1.01 0.00 0.00 58.87 61.10 2d9g n SER 38 Cb 0.52 -1.53 0.74 0.00 -1.01 0.00 0.00 64.21 62.94 2d9g n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d9g h THR 39 N 3.67 0.49 -1.75 0.44 1.03 -2.00 -3.43 112.91 111.35 2d9g h THR 39 Ca -0.44 -0.52 -0.49 0.00 -0.01 0.00 0.00 66.41 64.95 2d9g h THR 39 Cb 1.22 1.35 -0.03 0.00 -1.07 0.00 0.00 68.15 69.62 2d9g h THR 39 CO 0.91 0.10 -0.42 -0.13 -0.01 0.00 0.00 175.52 175.97 2d9g s ARG 40 N -4.14 2.68 -0.09 0.00 1.81 -1.26 -5.11 118.95 112.85 2d9g s ARG 40 Ca -0.03 -1.35 -0.16 0.00 -1.72 0.00 0.00 55.73 52.47 2d9g s ARG 40 Cb 0.13 -2.46 -0.05 0.00 -0.45 0.00 0.00 34.95 32.12 2d9g s ARG 40 CO 0.57 0.01 0.42 0.21 -0.68 0.00 0.00 175.30 175.83 2d9g s LYS 41 N -4.04 4.19 0.00 3.54 2.47 -1.26 -4.95 119.74 119.69 2d9g s LYS 41 Ca 0.43 0.37 0.00 0.00 -1.56 0.00 0.00 55.97 55.21 2d9g s LYS 41 Cb -0.05 -3.37 0.00 0.00 -1.46 0.00 0.00 37.83 32.95 2d9g s LYS 41 CO 0.27 0.34 0.45 -0.35 0.16 0.00 0.00 175.35 176.22 2d9g n PRO 42 N 3.06 0.49 -4.69 4.03 -0.04 -1.26 -4.63 135.00 131.95 2d9g n PRO 42 Ca -0.10 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.03 2d9g n PRO 42 Cb 0.52 -1.04 -0.15 0.00 -0.04 0.00 0.00 33.50 32.79 2d9g n PRO 42 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2d9g s ARG 43 N -1.85 3.27 0.61 0.54 3.52 -1.26 -5.12 118.95 118.66 2d9g s ARG 43 Ca 0.00 -0.74 -0.17 0.00 -0.13 0.00 0.00 55.73 54.69 2d9g s ARG 43 Cb 0.00 -2.60 -0.03 0.00 -1.56 0.00 0.00 34.95 30.76 2d9g s ARG 43 CO 0.00 0.11 1.12 -1.25 -0.81 0.00 0.00 175.30 174.46 2d9g s PRO 44 N 0.60 3.04 0.03 5.12 0.04 -1.26 -5.04 135.00 137.53 2d9g s PRO 44 Ca -0.09 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 62.37 2d9g s PRO 44 Cb -0.16 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2d9g s PRO 44 CO 0.03 -1.08 0.31 0.14 0.04 0.00 0.00 177.00 176.44 2d9g s VAL 45 N -2.08 5.24 -0.10 -0.36 -7.23 -1.26 -5.02 120.40 109.58 2d9g s VAL 45 Ca 0.70 0.25 -0.28 0.00 -1.81 0.00 0.00 61.98 60.83 2d9g s VAL 45 Cb -0.22 -3.59 -0.25 0.00 0.56 0.00 0.00 36.38 32.88 2d9g s VAL 45 CO 0.35 0.34 0.91 0.28 -0.31 0.00 0.00 175.10 176.66 2d9g h SER 46 N 3.88 0.04 -5.11 4.85 0.02 -2.08 -3.48 113.55 111.66 2d9g h SER 46 Ca -0.50 -0.87 -0.04 0.00 -0.84 0.00 0.00 61.79 59.55 2d9g h SER 46 Cb 1.19 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.61 2d9g h SER 46 CO 0.66 0.90 -0.05 -1.58 -1.14 0.00 0.00 176.83 175.62 2d9g s GLN 47 N -2.76 1.27 -0.10 3.45 0.74 -1.26 -5.16 119.66 115.84 2d9g s GLN 47 Ca -0.18 -0.88 0.03 0.00 0.05 0.00 0.00 55.36 54.38 2d9g s GLN 47 Cb -0.01 0.49 0.01 0.00 1.10 0.00 0.00 33.01 34.59 2d9g s GLN 47 CO 0.70 -0.52 -0.20 0.45 -0.55 0.00 0.00 175.29 175.16 2d9g s SER 48 N -2.87 2.72 -0.28 6.67 0.15 -1.26 -4.90 113.70 113.92 2d9g s SER 48 Ca 0.09 -0.49 -0.25 0.00 0.70 0.00 0.00 55.95 56.00 2d9g s SER 48 Cb 0.00 -1.24 0.04 0.00 -1.71 0.00 0.00 66.02 63.11 2d9g s SER 48 CO -0.04 0.11 0.42 0.61 1.20 0.00 0.00 173.24 175.53 2d9g n GLY 49 N 3.72 0.13 0.25 9.45 0.00 -1.26 -4.86 105.19 112.62 2d9g n GLY 49 Ca -0.20 0.74 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 2d9g n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9g h PRO 50 N 2.19 0.83 -4.79 1.61 0.13 -1.99 -3.44 132.00 126.53 2d9g h PRO 50 Ca -0.37 -0.44 -0.40 0.00 -0.87 0.00 0.00 66.00 63.93 2d9g h PRO 50 Cb 1.13 0.02 -0.28 0.00 0.13 0.00 0.00 31.00 31.99 2d9g h PRO 50 CO 0.14 1.08 -0.78 -1.12 -0.23 0.00 0.00 178.00 177.09 2d9g s SER 51 N -6.85 1.12 0.05 1.44 0.01 -1.26 -5.12 113.70 103.08 2d9g s SER 51 Ca -0.10 -0.19 -0.31 0.00 1.31 0.00 0.00 55.95 56.66 2d9g s SER 51 Cb 0.11 -0.12 -0.05 0.00 0.21 0.00 0.00 66.02 66.17 2d9g s SER 51 CO 0.87 0.10 1.21 -0.55 0.41 0.00 0.00 173.24 175.28 2d9g s SER 52 N -0.30 7.06 0.00 2.44 0.15 -1.26 -5.23 113.70 116.56 2d9g s SER 52 Ca 0.03 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.69 2d9g s SER 52 Cb -0.04 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2d9g s SER 52 CO -0.00 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.55