#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 -0.42 0.11 5.08 -2.01 -1.90 114.58 115.44 1ss3 h GLU 2 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1ss3 h GLU 2 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1ss3 h GLU 2 CO 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 179.01 177.91 1ss3 h ALA 3 N 2.00 0.29 -1.17 3.43 0.00 -2.01 0.50 119.26 122.30 1ss3 h ALA 3 Ca 0.00 0.16 0.33 0.00 0.00 0.00 0.00 54.91 55.40 1ss3 h ALA 3 Cb 0.04 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1ss3 h ALA 3 CO 0.00 -0.45 0.81 1.96 0.00 0.00 0.00 179.25 181.57 1ss3 h GLN 4 N 0.01 0.14 0.11 0.00 1.08 -1.78 0.31 115.11 114.98 1ss3 h GLN 4 Ca 0.20 -0.01 -0.30 0.00 -1.45 0.00 0.00 58.65 57.10 1ss3 h GLN 4 Cb 0.31 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1ss3 h GLN 4 CO -0.43 0.09 -1.56 0.35 -0.95 0.00 0.00 178.83 176.33 1ss3 h PHE 5 N 0.14 0.42 -0.32 2.96 3.04 -1.42 -3.16 116.94 118.60 1ss3 h PHE 5 Ca 0.61 -0.31 0.09 0.00 3.98 0.00 0.00 57.97 62.34 1ss3 h PHE 5 Cb 2.07 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 40.55 1ss3 h PHE 5 CO -0.00 1.61 0.23 -0.22 -2.02 0.00 0.00 178.31 177.91 1ss3 h LYS 6 N -0.27 0.01 0.15 1.11 3.64 0.14 0.47 116.57 121.82 1ss3 h LYS 6 Ca -0.34 -0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.74 1ss3 h LYS 6 Cb 1.80 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.64 1ss3 h LYS 6 CO 0.04 0.01 -1.29 1.49 -2.27 0.00 0.00 179.45 177.43 1ss3 h GLU 7 N 0.01 0.50 -0.37 1.90 4.81 -0.60 -1.92 114.58 118.91 1ss3 h GLU 7 Ca 0.15 -0.75 -0.13 0.00 -0.13 0.00 0.00 59.36 58.50 1ss3 h GLU 7 Cb 0.59 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1ss3 h GLU 7 CO -0.00 1.34 -0.28 0.00 -0.73 0.00 0.00 179.01 179.33 1ss3 h TYR 9 N 0.63 -0.21 0.13 0.00 5.03 -0.24 0.57 116.97 122.89 1ss3 h TYR 9 Ca 0.07 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 1ss3 h TYR 9 Cb 0.86 0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.21 1ss3 h TYR 9 CO 0.06 0.01 -0.06 0.22 -1.32 0.00 0.00 178.16 177.07 1ss3 h ASP 10 N -0.40 -0.15 -0.35 -2.11 1.82 -1.37 0.16 116.42 114.02 1ss3 h ASP 10 Ca -0.02 -0.06 -0.05 0.00 -0.39 0.00 0.00 57.03 56.51 1ss3 h ASP 10 Cb 0.31 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 1ss3 h ASP 10 CO 0.04 -0.04 0.03 0.74 -1.61 0.00 0.00 179.24 178.40 1ss3 h THR 11 N -0.25 1.25 -0.41 2.25 2.02 -1.06 -1.73 112.91 114.99 1ss3 h THR 11 Ca -0.02 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.29 1ss3 h THR 11 Cb 0.20 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1ss3 h THR 11 CO 0.03 0.30 0.18 0.00 0.37 0.00 0.00 175.52 176.40 1ss3 h HIS 13 N 0.37 0.85 0.00 0.00 6.17 -0.21 0.50 115.15 122.84 1ss3 h HIS 13 Ca 0.18 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.28 1ss3 h HIS 13 Cb 0.12 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 29.78 1ss3 h HIS 13 CO -0.12 0.32 0.00 1.63 0.71 0.00 0.00 177.93 180.47 1ss3 n LYS 14 N -4.56 0.00 0.26 5.26 5.02 -0.50 0.09 118.16 123.73 1ss3 n LYS 14 Ca 0.17 0.59 0.17 0.00 -2.02 0.00 0.00 58.31 57.22 1ss3 n LYS 14 Cb 0.45 -1.50 0.89 0.00 -0.02 0.00 0.00 35.03 34.85 1ss3 n LYS 14 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1ss3 h GLU 15 N 0.00 0.00 0.04 1.97 4.81 -1.20 -0.70 114.58 119.50 1ss3 h GLU 15 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ss3 h GLU 15 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ss3 h GLU 15 CO 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 179.01 178.26 1ss3 h SER 17 N -0.31 0.00 -0.94 0.00 0.87 -0.21 -0.14 113.55 112.83 1ss3 h SER 17 Ca -0.01 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.74 1ss3 h SER 17 Cb 0.04 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 61.89 1ss3 h SER 17 CO 0.01 0.00 0.52 -0.78 -0.53 0.00 0.00 176.83 176.05 1ss3 h ASP 18 N 0.00 0.63 0.00 6.23 3.58 -1.23 0.09 116.42 125.72 1ss3 h ASP 18 Ca 0.05 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1ss3 h ASP 18 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1ss3 h ASP 18 CO -0.00 0.21 0.14 0.29 -2.88 0.00 0.00 179.24 177.00 1ss3 n LYS 19 N -4.85 0.07 -1.04 0.28 4.76 -0.06 -4.75 118.16 112.56 1ss3 n LYS 19 Ca 0.21 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 1ss3 n LYS 19 Cb 0.55 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 -1.33 0.38 3.77 0.72 0.00 0.02 -5.05 105.19 103.70 1ss3 n GLY 20 Ca -0.01 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 1ss3 n GLY 20 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ss3 s ASN 21 N -3.00 2.09 0.09 1.61 0.01 -1.25 -5.02 114.94 109.47 1ss3 s ASN 21 Ca 0.00 0.45 -0.30 0.00 -0.71 0.00 0.00 52.86 52.30 1ss3 s ASN 21 Cb 0.00 -0.60 -0.06 0.00 0.41 0.00 0.00 41.25 41.01 1ss3 s ASN 21 CO 0.00 -3.38 1.15 -0.83 -1.51 0.00 0.00 177.10 172.53 1ss3 s GLY 22 N -4.41 2.58 0.19 0.66 0.00 -1.26 -4.87 107.32 100.21 1ss3 s GLY 22 Ca 0.72 0.81 -0.24 0.00 0.00 0.00 0.00 44.72 46.01 1ss3 s GLY 22 CO 0.54 1.90 1.55 -2.75 0.00 0.00 0.00 173.10 174.34 1ss3 h PHE 23 N 6.31 -1.46 0.03 1.90 3.57 -1.96 0.14 116.94 125.47 1ss3 h PHE 23 Ca -0.42 0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.22 1ss3 h PHE 23 Cb 1.21 0.77 -0.05 0.00 2.79 0.00 0.00 35.95 40.67 1ss3 h PHE 23 CO 0.66 -0.39 -0.45 1.15 -2.23 0.00 0.00 178.31 177.04 1ss3 h THR 24 N -0.04 0.11 -0.64 4.41 2.02 -1.98 0.24 112.91 117.04 1ss3 h THR 24 Ca 0.24 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.52 1ss3 h THR 24 Cb 0.52 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 1ss3 h THR 24 CO -0.93 0.00 0.26 0.15 0.37 0.00 0.00 175.52 175.38 1ss3 h PHE 25 N -0.62 0.47 -0.88 3.16 3.57 -1.70 0.13 116.94 121.06 1ss3 h PHE 25 Ca 0.03 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1ss3 h PHE 25 Cb 0.68 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 1ss3 h PHE 25 CO -0.43 0.14 0.58 0.00 -2.23 0.00 0.00 178.31 176.36 1ss3 h GLU 27 N 1.07 -0.29 -1.03 0.00 5.08 0.12 0.22 114.58 119.76 1ss3 h GLU 27 Ca 0.36 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 59.03 1ss3 h GLU 27 Cb 0.07 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1ss3 h GLU 27 CO -0.11 -0.19 0.79 0.52 -1.00 0.00 0.00 179.01 179.01 1ss3 h MET 28 N -0.40 0.00 0.03 2.33 2.86 -0.81 0.25 114.93 119.18 1ss3 h MET 28 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1ss3 h MET 28 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1ss3 h MET 28 CO 0.05 0.00 -0.01 -0.22 1.06 0.00 0.00 176.91 177.79 1ss3 h LYS 29 N 0.00 -0.04 -0.99 1.72 1.63 -1.19 -3.25 116.57 114.45 1ss3 h LYS 29 Ca 0.49 0.00 0.29 0.00 -0.85 0.00 0.00 60.65 60.58 1ss3 h LYS 29 Cb 2.07 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 33.66 1ss3 h LYS 29 CO -0.01 -0.02 0.87 0.00 -3.45 0.00 0.00 179.45 176.84 1ss3 h ASP 31 N 0.00 -0.83 0.98 0.00 3.58 -0.69 -2.90 116.42 116.56 1ss3 h ASP 31 Ca 0.47 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.90 1ss3 h ASP 31 Cb 2.21 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 43.47 1ss3 h ASP 31 CO -0.00 -0.58 -0.25 0.74 -2.88 0.00 0.00 179.24 176.27 1ss3 h THR 32 N -1.03 0.58 0.00 2.25 2.02 -1.24 -3.17 112.91 112.33 1ss3 h THR 32 Ca -0.10 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.86 1ss3 h THR 32 Cb 0.75 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1ss3 h THR 32 CO 0.17 0.24 0.00 -0.67 0.37 0.00 0.00 175.52 175.63 1ss3 n ASP 33 N -3.38 0.00 -2.06 4.18 2.03 0.14 -2.54 116.55 114.92 1ss3 n ASP 33 Ca 0.00 0.87 -0.16 0.00 0.52 0.00 0.00 54.79 56.03 1ss3 n ASP 33 Cb 0.46 -0.37 -0.07 0.00 -0.72 0.00 0.00 41.12 40.42 1ss3 n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ss3 n SER 35 N 1.39 3.18 -3.11 0.00 2.88 -1.05 -4.91 113.62 112.00 1ss3 n SER 35 Ca 0.35 -2.75 -0.17 0.00 -1.33 0.00 0.00 58.87 54.98 1ss3 n SER 35 Cb 0.67 -1.40 0.13 0.00 -0.75 0.00 0.00 64.21 62.85 1ss3 n SER 35 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1ss3 n VAL 36 N 6.04 0.00 -3.15 2.46 0.31 -1.26 -5.08 118.33 117.65 1ss3 n VAL 36 Ca 0.50 -0.47 0.04 0.00 -0.01 0.00 0.00 64.34 64.40 1ss3 n VAL 36 Cb 0.41 -1.51 -0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1ss3 n VAL 36 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1ss3 s LYS 37 N -4.60 0.50 -0.27 5.55 -2.85 -1.26 -5.13 119.74 111.67 1ss3 s LYS 37 Ca 0.43 0.50 -0.10 0.00 -1.00 0.00 0.00 55.97 55.80 1ss3 s LYS 37 Cb -0.02 0.23 0.11 0.00 -2.06 0.00 0.00 37.83 36.09 1ss3 s LYS 37 CO 0.31 -0.92 0.59 0.34 0.10 0.00 0.00 175.35 175.77 1ss3 s ASP 38 N 2.85 -0.90 -0.24 0.03 2.15 -1.26 -5.04 116.67 114.26 1ss3 s ASP 38 Ca 0.13 1.41 0.14 0.00 0.43 0.00 0.00 52.55 54.66 1ss3 s ASP 38 Cb -0.09 1.92 0.46 0.00 -0.30 0.00 0.00 42.92 44.91 1ss3 s ASP 38 CO -0.25 -0.22 1.17 0.55 -0.17 0.00 0.00 175.17 176.24 1ss3 n VAL 39 N 5.25 1.91 -1.63 1.11 3.14 -1.26 -4.90 118.33 121.94 1ss3 n VAL 39 Ca -0.13 -3.42 -0.60 0.00 -2.96 0.00 0.00 64.34 57.24 1ss3 n VAL 39 Cb 0.51 -0.14 -0.08 0.00 -1.06 0.00 0.00 33.84 33.07 1ss3 n VAL 39 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1ss3 n LYS 40 N -0.64 0.48 -2.03 1.45 4.76 -1.26 -4.79 118.16 116.13 1ss3 n LYS 40 Ca 0.26 0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 55.46 1ss3 n LYS 40 Cb 0.90 -1.74 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 1ss3 n LYS 40 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1ss3 s GLU 41 N 1.69 4.19 -0.84 1.97 -6.30 -1.26 -4.87 118.70 113.28 1ss3 s GLU 41 Ca 0.95 2.17 -0.06 0.00 -2.50 0.00 0.00 54.97 55.53 1ss3 s GLU 41 Cb -1.23 -3.90 -0.05 0.00 0.00 0.00 0.00 34.13 28.95 1ss3 s GLU 41 CO 0.64 -0.80 2.02 1.63 0.02 0.00 0.00 175.26 178.77 1ss3 n LYS 42 N 6.78 1.92 -3.64 4.30 5.02 -1.26 -4.70 118.16 126.57 1ss3 n LYS 42 Ca 0.17 -1.39 -0.06 0.00 -2.02 0.00 0.00 58.31 55.00 1ss3 n LYS 42 Cb 0.43 -2.43 -0.07 0.00 -0.02 0.00 0.00 35.03 32.94 1ss3 n LYS 42 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ss3 s LEU 43 N 0.11 -0.33 -0.38 -0.35 2.96 -1.26 -5.10 118.68 114.33 1ss3 s LEU 43 Ca 0.37 0.63 0.03 0.00 -0.22 0.00 0.00 54.13 54.94 1ss3 s LEU 43 Cb 0.09 1.63 0.30 0.00 0.50 0.00 0.00 46.19 48.71 1ss3 s LEU 43 CO -0.03 -0.11 1.23 1.21 -1.32 0.00 0.00 176.35 177.34 1ss3 n GLU 44 N 2.24 0.43 -3.64 1.98 4.07 -1.26 -5.16 120.64 119.31 1ss3 n GLU 44 Ca -0.13 -1.13 -0.04 0.00 -0.06 0.00 0.00 57.16 55.80 1ss3 n GLU 44 Cb 0.56 -0.55 -0.06 0.00 -0.06 0.00 0.00 31.44 31.33 1ss3 n GLU 44 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1ss3 s ASN 45 N -0.66 -0.13 -0.30 4.31 2.47 -1.26 -5.15 114.94 114.21 1ss3 s ASN 45 Ca 0.24 0.22 -0.12 0.00 0.42 0.00 0.00 52.86 53.61 1ss3 s ASN 45 Cb 0.27 0.21 0.18 0.00 -1.45 0.00 0.00 41.25 40.46 1ss3 s ASN 45 CO -0.15 -0.07 1.04 -0.47 -3.72 0.00 0.00 177.10 173.74 1ss3 s TYR 46 N -0.30 -0.53 -0.47 0.43 5.04 -1.26 -5.11 117.35 115.16 1ss3 s TYR 46 Ca 0.06 0.49 0.04 0.00 -2.44 0.00 0.00 57.07 55.23 1ss3 s TYR 46 Cb -0.04 0.16 0.19 0.00 0.35 0.00 0.00 41.96 42.63 1ss3 s TYR 46 CO -0.11 -0.30 0.79 0.15 -1.34 0.00 0.00 175.55 174.75 1ss3 s LYS 47 N 2.95 0.86 0.82 4.97 1.02 -1.26 -5.16 119.74 123.93 1ss3 s LYS 47 Ca 0.06 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.17 1ss3 s LYS 47 Cb -0.08 -0.02 0.08 0.00 -0.52 0.00 0.00 37.83 37.29 1ss3 s LYS 47 CO -0.14 -1.08 1.09 -1.25 -0.92 0.00 0.00 175.35 173.05 1ss3 s PRO 48 N 1.06 1.91 0.17 -1.68 0.04 -1.26 -4.95 135.00 130.29 1ss3 s PRO 48 Ca 0.26 0.96 -0.33 0.00 0.04 0.00 0.00 61.00 61.93 1ss3 s PRO 48 Cb 0.02 -1.87 -0.16 0.00 0.04 0.00 0.00 34.50 32.53 1ss3 s PRO 48 CO -0.07 -1.83 1.17 1.17 0.04 0.00 0.00 177.00 177.49 1ss3 n LYS 49 N -3.62 1.16 0.00 4.56 0.00 -1.26 -5.36 118.16 113.64 1ss3 n LYS 49 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 58.31 58.80 1ss3 n LYS 49 Cb 0.54 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.65 1ss3 n LYS 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67