#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss3 h GLU 2 N 0.00 0.00 -0.29 -0.67 5.08 -2.05 -2.89 114.58 113.76 1ss3 h GLU 2 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1ss3 h GLU 2 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1ss3 h GLU 2 CO 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 179.01 178.05 1ss3 h ALA 3 N 1.98 0.29 -1.33 3.43 0.00 -2.05 0.26 119.26 121.85 1ss3 h ALA 3 Ca 0.01 0.07 0.39 0.00 0.00 0.00 0.00 54.91 55.38 1ss3 h ALA 3 Cb 0.05 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1ss3 h ALA 3 CO -0.00 -0.37 0.93 1.96 0.00 0.00 0.00 179.25 181.77 1ss3 h GLN 4 N 0.14 0.08 0.10 0.00 1.08 -1.95 0.37 115.11 114.92 1ss3 h GLN 4 Ca 0.14 -0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.00 1ss3 h GLN 4 Cb 0.16 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1ss3 h GLN 4 CO -0.20 0.05 -1.79 0.35 -0.95 0.00 0.00 178.83 176.29 1ss3 h PHE 5 N 0.08 0.38 -0.25 2.96 3.04 -1.42 -3.21 116.94 118.52 1ss3 h PHE 5 Ca 0.68 -0.28 0.06 0.00 3.98 0.00 0.00 57.97 62.42 1ss3 h PHE 5 Cb 2.47 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 40.96 1ss3 h PHE 5 CO -0.00 1.70 0.18 -0.22 -2.02 0.00 0.00 178.31 177.95 1ss3 h LYS 6 N -0.20 0.04 -0.01 1.11 1.63 0.19 0.41 116.57 119.74 1ss3 h LYS 6 Ca -0.40 -0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.15 1ss3 h LYS 6 Cb 1.85 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 33.49 1ss3 h LYS 6 CO 0.02 0.03 -0.99 0.93 -3.45 0.00 0.00 179.45 175.98 1ss3 h GLU 7 N 0.04 0.59 -0.28 1.90 5.08 -0.56 -1.76 114.58 119.59 1ss3 h GLU 7 Ca 0.12 -0.63 -0.08 0.00 -1.00 0.00 0.00 59.36 57.77 1ss3 h GLU 7 Cb 0.42 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ss3 h GLU 7 CO -0.01 1.24 -0.12 0.00 -1.00 0.00 0.00 179.01 179.13 1ss3 h TYR 9 N 0.33 -0.25 0.34 0.00 5.03 -0.35 0.77 116.97 122.83 1ss3 h TYR 9 Ca 0.07 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 1ss3 h TYR 9 Cb 0.62 0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.99 1ss3 h TYR 9 CO 0.06 -0.12 -0.16 0.22 -1.32 0.00 0.00 178.16 176.83 1ss3 h ASP 10 N -0.32 -0.38 -0.35 -2.11 3.58 -1.35 0.93 116.42 116.42 1ss3 h ASP 10 Ca -0.03 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 1ss3 h ASP 10 Cb 0.24 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1ss3 h ASP 10 CO 0.05 -0.23 0.09 0.74 -2.88 0.00 0.00 179.24 177.00 1ss3 h THR 11 N -0.50 1.22 -0.37 2.25 2.02 -1.02 -1.80 112.91 114.71 1ss3 h THR 11 Ca -0.05 -0.75 0.05 0.00 0.77 0.00 0.00 66.41 66.43 1ss3 h THR 11 Cb 0.38 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 1ss3 h THR 11 CO 0.08 0.26 0.08 0.00 0.37 0.00 0.00 175.52 176.30 1ss3 h HIS 13 N 0.21 1.04 0.08 0.00 6.17 -0.32 0.50 115.15 122.83 1ss3 h HIS 13 Ca 0.18 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.29 1ss3 h HIS 13 Cb 0.20 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 1ss3 h HIS 13 CO -0.19 0.23 -0.16 0.87 0.71 0.00 0.00 177.93 179.40 1ss3 h LYS 14 N 0.75 -0.25 0.00 5.26 6.56 -0.40 0.40 116.57 128.90 1ss3 h LYS 14 Ca 0.57 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.17 1ss3 h LYS 14 Cb 0.87 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.58 1ss3 h LYS 14 CO -0.38 -0.17 0.00 -1.91 -2.06 0.00 0.00 179.45 174.93 1ss3 n GLU 15 N -3.33 0.00 -0.05 3.15 2.13 -0.88 -2.51 120.64 119.16 1ss3 n GLU 15 Ca -0.03 0.38 -0.01 0.00 0.66 0.00 0.00 57.16 58.16 1ss3 n GLU 15 Cb 0.13 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.34 1ss3 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ss3 h SER 17 N -0.82 0.00 -0.85 0.00 0.87 -0.15 0.18 113.55 112.77 1ss3 h SER 17 Ca 0.00 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.78 1ss3 h SER 17 Cb 0.16 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 1ss3 h SER 17 CO 0.00 0.00 0.59 -0.78 -0.53 0.00 0.00 176.83 176.11 1ss3 h ASP 18 N 0.00 0.21 0.07 6.23 3.58 -1.61 0.12 116.42 125.02 1ss3 h ASP 18 Ca 0.20 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1ss3 h ASP 18 Cb 1.28 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1ss3 h ASP 18 CO -0.00 0.08 0.00 0.29 -2.88 0.00 0.00 179.24 176.73 1ss3 n LYS 19 N -4.41 0.00 -0.96 0.28 4.76 0.63 -4.79 118.16 113.68 1ss3 n LYS 19 Ca 0.18 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 56.09 1ss3 n LYS 19 Cb 0.78 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1ss3 n LYS 19 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ss3 n GLY 20 N -1.30 0.59 3.80 0.72 0.00 0.41 -5.04 105.19 104.38 1ss3 n GLY 20 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ss3 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ss3 s ASN 21 N -2.16 2.14 0.47 1.61 2.20 -1.25 -5.06 114.94 112.89 1ss3 s ASN 21 Ca 0.00 0.35 -0.14 0.00 -0.94 0.00 0.00 52.86 52.13 1ss3 s ASN 21 Cb 0.00 -0.42 -0.07 0.00 -2.00 0.00 0.00 41.25 38.76 1ss3 s ASN 21 CO 0.00 -3.35 0.90 -0.83 -2.94 0.00 0.00 177.10 170.88 1ss3 s GLY 22 N -4.56 2.01 0.13 0.45 0.00 -1.26 -4.81 107.32 99.27 1ss3 s GLY 22 Ca 0.74 0.02 -0.24 0.00 0.00 0.00 0.00 44.72 45.25 1ss3 s GLY 22 CO 0.54 0.27 1.66 0.27 0.00 0.00 0.00 173.10 175.84 1ss3 h PHE 23 N 1.04 -0.48 0.35 1.90 -5.15 -1.97 -1.41 116.94 111.23 1ss3 h PHE 23 Ca -0.47 0.02 -0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1ss3 h PHE 23 Cb 1.19 0.22 -0.03 0.00 0.22 0.00 0.00 35.95 37.55 1ss3 h PHE 23 CO 0.63 -0.26 -0.47 1.15 -2.00 0.00 0.00 178.31 177.36 1ss3 h THR 24 N -0.27 0.08 -0.59 0.88 2.02 -1.98 0.82 112.91 113.88 1ss3 h THR 24 Ca 0.08 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.37 1ss3 h THR 24 Cb 0.37 0.08 -0.09 0.00 -1.74 0.00 0.00 68.15 66.78 1ss3 h THR 24 CO -0.22 0.00 0.11 0.15 0.37 0.00 0.00 175.52 175.94 1ss3 h PHE 25 N -0.86 0.17 -0.36 3.16 3.57 -1.97 0.84 116.94 121.51 1ss3 h PHE 25 Ca -0.03 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1ss3 h PHE 25 Cb 0.79 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1ss3 h PHE 25 CO -0.30 -0.04 0.06 0.00 -2.23 0.00 0.00 178.31 175.80 1ss3 h GLU 27 N 0.52 -1.13 0.00 0.00 5.08 0.29 0.56 114.58 119.89 1ss3 h GLU 27 Ca 0.12 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ss3 h GLU 27 Cb 0.25 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ss3 h GLU 27 CO 0.00 -0.75 0.00 -0.12 -1.00 0.00 0.00 179.01 177.14 1ss3 n MET 28 N -5.57 0.14 -0.05 2.33 1.56 -0.09 -1.37 117.12 114.06 1ss3 n MET 28 Ca -0.15 0.62 -0.04 0.00 -0.27 0.00 0.00 57.70 57.86 1ss3 n MET 28 Cb 0.47 -1.94 -0.01 0.00 2.15 0.00 0.00 33.22 33.89 1ss3 n MET 28 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1ss3 n LYS 29 N -2.23 0.33 -0.46 2.12 0.00 -0.75 -3.91 118.16 113.27 1ss3 n LYS 29 Ca -0.01 0.38 0.42 0.00 0.00 0.00 0.00 58.31 59.09 1ss3 n LYS 29 Cb 0.05 -1.35 0.77 0.00 0.00 0.00 0.00 35.03 34.50 1ss3 n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ss3 h ASP 31 N 0.00 -0.83 0.94 0.00 3.58 -1.40 -2.65 116.42 116.05 1ss3 h ASP 31 Ca 0.70 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 58.17 1ss3 h ASP 31 Cb 2.83 0.24 -0.00 0.00 1.72 0.00 0.00 39.33 44.11 1ss3 h ASP 31 CO -0.01 -0.53 -0.11 0.74 -2.88 0.00 0.00 179.24 176.46 1ss3 h THR 32 N -0.85 0.29 0.00 2.25 2.02 -1.20 -3.15 112.91 112.27 1ss3 h THR 32 Ca -0.08 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1ss3 h THR 32 Cb 0.67 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1ss3 h THR 32 CO 0.09 0.11 0.00 -0.67 0.37 0.00 0.00 175.52 175.42 1ss3 n ASP 33 N -3.26 0.00 -2.06 4.18 2.03 0.15 -3.16 116.55 114.42 1ss3 n ASP 33 Ca 0.00 0.85 -0.17 0.00 0.52 0.00 0.00 54.79 55.99 1ss3 n ASP 33 Cb 0.36 -0.35 -0.04 0.00 -0.72 0.00 0.00 41.12 40.37 1ss3 n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ss3 s SER 35 N 0.80 -0.69 1.07 0.00 0.15 -1.19 -4.95 113.70 108.89 1ss3 s SER 35 Ca 0.43 0.40 -0.10 0.00 0.70 0.00 0.00 55.95 57.38 1ss3 s SER 35 Cb 0.27 1.57 0.14 0.00 -1.71 0.00 0.00 66.02 66.29 1ss3 s SER 35 CO -0.08 -0.13 0.61 0.52 1.20 0.00 0.00 173.24 175.37 1ss3 n VAL 36 N 5.44 0.00 -2.49 4.45 0.31 -1.26 -4.42 118.33 120.36 1ss3 n VAL 36 Ca -0.04 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1ss3 n VAL 36 Cb 0.53 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 1ss3 n VAL 36 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1ss3 n LYS 37 N -2.89 0.00 -3.64 5.55 2.85 -1.26 -5.03 118.16 113.73 1ss3 n LYS 37 Ca 0.08 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.19 1ss3 n LYS 37 Cb 0.30 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.60 1ss3 n LYS 37 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1ss3 s ASP 38 N 1.13 -0.46 -0.49 -5.58 -1.08 -1.26 -5.11 116.67 103.82 1ss3 s ASP 38 Ca 0.00 0.55 0.06 0.00 -0.52 0.00 0.00 52.55 52.64 1ss3 s ASP 38 Cb 0.00 0.56 0.18 0.00 -1.46 0.00 0.00 42.92 42.21 1ss3 s ASP 38 CO 0.00 -0.47 0.63 -0.69 0.52 0.00 0.00 175.17 175.16 1ss3 s VAL 39 N -0.96 -0.68 0.43 1.11 1.01 -1.26 -5.14 120.40 114.91 1ss3 s VAL 39 Ca -0.10 -1.33 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 1ss3 s VAL 39 Cb -0.03 -0.30 -0.11 0.00 0.00 0.00 0.00 36.38 35.94 1ss3 s VAL 39 CO 0.06 -0.30 0.81 0.29 0.00 0.00 0.00 175.10 175.96 1ss3 n LYS 40 N 3.01 0.97 -1.70 2.72 5.02 -1.26 -4.93 118.16 122.00 1ss3 n LYS 40 Ca 0.20 0.35 -0.10 0.00 -2.02 0.00 0.00 58.31 56.75 1ss3 n LYS 40 Cb 0.54 -1.81 0.08 0.00 -0.02 0.00 0.00 35.03 33.81 1ss3 n LYS 40 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ss3 n GLU 41 N 0.25 2.45 -3.31 1.97 -0.58 -1.26 -4.81 120.64 115.35 1ss3 n GLU 41 Ca 0.11 -3.64 -0.26 0.00 -0.42 0.00 0.00 57.16 52.95 1ss3 n GLU 41 Cb 0.40 -1.80 -0.09 0.00 -0.57 0.00 0.00 31.44 29.38 1ss3 n GLU 41 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ss3 n LYS 42 N -0.70 0.37 -1.17 3.49 4.81 -1.26 -5.12 118.16 118.57 1ss3 n LYS 42 Ca 0.28 -3.17 -0.37 0.00 -0.87 0.00 0.00 58.31 54.19 1ss3 n LYS 42 Cb 0.88 -1.51 0.05 0.00 0.02 0.00 0.00 35.03 34.48 1ss3 n LYS 42 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1ss3 n LEU 43 N 2.34 -1.71 -3.78 3.14 -0.00 -1.26 -5.01 117.00 110.72 1ss3 n LEU 43 Ca 0.27 0.51 -0.20 0.00 -0.00 0.00 0.00 56.01 56.58 1ss3 n LEU 43 Cb 0.50 -1.03 -0.17 0.00 -0.00 0.00 0.00 43.42 42.71 1ss3 n LEU 43 CO 0.11 -4.14 -0.37 -0.70 -0.00 0.00 0.00 177.39 172.29 1ss3 s GLU 44 N -2.23 0.38 0.11 1.47 2.12 -1.26 -5.13 118.70 114.16 1ss3 s GLU 44 Ca 0.58 0.14 -0.16 0.00 0.36 0.00 0.00 54.97 55.88 1ss3 s GLU 44 Cb -0.34 -0.70 0.03 0.00 0.26 0.00 0.00 34.13 33.38 1ss3 s GLU 44 CO 0.66 -0.23 0.39 -0.80 -0.54 0.00 0.00 175.26 174.73 1ss3 s ASN 45 N 1.60 -0.22 -0.30 -1.70 0.01 -1.26 -5.16 114.94 107.92 1ss3 s ASN 45 Ca -0.01 -0.29 -0.17 0.00 -0.71 0.00 0.00 52.86 51.68 1ss3 s ASN 45 Cb -0.13 0.46 0.18 0.00 0.41 0.00 0.00 41.25 42.17 1ss3 s ASN 45 CO -0.03 -0.82 1.19 -0.47 -1.51 0.00 0.00 177.10 175.46 1ss3 s TYR 46 N -3.59 -0.25 0.25 2.20 5.04 -1.26 -5.18 117.35 114.55 1ss3 s TYR 46 Ca 0.02 0.36 0.09 0.00 -2.44 0.00 0.00 57.07 55.09 1ss3 s TYR 46 Cb 0.02 0.12 -0.05 0.00 0.35 0.00 0.00 41.96 42.40 1ss3 s TYR 46 CO -0.10 -0.13 -0.13 0.15 -1.34 0.00 0.00 175.55 173.99 1ss3 s LYS 47 N 2.51 1.51 0.00 4.97 3.01 -1.26 -5.16 119.74 125.32 1ss3 s LYS 47 Ca -0.03 -1.71 0.00 0.00 -1.01 0.00 0.00 55.97 53.22 1ss3 s LYS 47 Cb -0.05 -1.33 0.00 0.00 -1.01 0.00 0.00 37.83 35.44 1ss3 s LYS 47 CO -0.13 0.17 0.00 -0.35 0.51 0.00 0.00 175.35 175.55 1ss3 n PRO 48 N -0.53 -0.74 -4.19 -1.68 -0.04 -1.26 -5.07 135.00 121.49 1ss3 n PRO 48 Ca -0.06 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.07 1ss3 n PRO 48 Cb 0.61 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.99 1ss3 n PRO 48 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1ss3 s LYS 49 N -2.63 2.88 0.00 0.54 -2.85 -1.26 -5.35 119.74 111.07 1ss3 s LYS 49 Ca 0.00 -0.58 0.28 0.00 -1.00 0.00 0.00 55.97 54.66 1ss3 s LYS 49 Cb 0.00 -2.74 0.98 0.00 -2.06 0.00 0.00 37.83 34.01 1ss3 s LYS 49 CO 0.00 0.62 1.70 0.09 0.10 0.00 0.00 175.35 177.87