#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss3 n GLU 2 N 0.00 0.00 -0.15 -1.24 1.02 -1.26 -5.00 120.64 114.01 1ss3 n GLU 2 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1ss3 n GLU 2 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 1ss3 n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ss3 h ALA 3 N 0.00 0.55 -1.11 0.62 0.00 -2.05 0.17 119.26 117.44 1ss3 h ALA 3 Ca 0.00 0.08 0.31 0.00 0.00 0.00 0.00 54.91 55.30 1ss3 h ALA 3 Cb 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1ss3 h ALA 3 CO 0.00 -0.27 0.78 1.96 0.00 0.00 0.00 179.25 181.72 1ss3 h GLN 4 N 0.29 0.09 0.10 0.00 4.20 -1.99 0.34 115.11 118.14 1ss3 h GLN 4 Ca 0.23 -0.01 -0.31 0.00 0.06 0.00 0.00 58.65 58.62 1ss3 h GLN 4 Cb 0.27 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1ss3 h GLN 4 CO -0.27 0.06 -1.66 0.35 -0.67 0.00 0.00 178.83 176.64 1ss3 h PHE 5 N 0.09 0.40 -0.58 2.96 3.04 -1.60 -3.20 116.94 118.06 1ss3 h PHE 5 Ca 0.55 -0.29 0.09 0.00 3.98 0.00 0.00 57.97 62.30 1ss3 h PHE 5 Cb 2.01 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 40.47 1ss3 h PHE 5 CO -0.00 1.65 0.39 -0.22 -2.02 0.00 0.00 178.31 178.11 1ss3 h LYS 6 N -0.24 0.38 -0.09 1.11 3.64 0.16 0.52 116.57 122.05 1ss3 h LYS 6 Ca -0.37 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 58.76 1ss3 h LYS 6 Cb 1.82 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.56 1ss3 h LYS 6 CO 0.03 0.25 -0.85 0.93 -2.27 0.00 0.00 179.45 177.54 1ss3 h GLU 7 N 0.40 0.68 -0.36 1.90 3.07 -0.61 -0.97 114.58 118.68 1ss3 h GLU 7 Ca 0.27 -0.61 -0.07 0.00 -0.50 0.00 0.00 59.36 58.45 1ss3 h GLU 7 Cb 0.52 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 1ss3 h GLU 7 CO -0.07 1.22 -0.03 0.00 -1.40 0.00 0.00 179.01 178.72 1ss3 h TYR 9 N 0.46 -0.29 0.19 0.00 5.03 -0.08 0.76 116.97 123.03 1ss3 h TYR 9 Ca 0.10 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 1ss3 h TYR 9 Cb 0.51 0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.89 1ss3 h TYR 9 CO 0.04 -0.10 -0.09 0.22 -1.32 0.00 0.00 178.16 176.91 1ss3 h ASP 10 N -0.42 -0.21 -0.34 -2.11 1.82 -1.23 0.20 116.42 114.13 1ss3 h ASP 10 Ca -0.03 -0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.52 1ss3 h ASP 10 Cb 0.32 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 1ss3 h ASP 10 CO 0.05 -0.08 0.08 0.74 -1.61 0.00 0.00 179.24 178.42 1ss3 h THR 11 N -0.33 1.22 -0.31 2.25 2.02 -1.09 -1.60 112.91 115.07 1ss3 h THR 11 Ca -0.03 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.44 1ss3 h THR 11 Cb 0.26 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1ss3 h THR 11 CO 0.04 0.25 0.09 0.00 0.37 0.00 0.00 175.52 176.28 1ss3 h HIS 13 N 0.21 0.35 0.12 0.00 6.17 -0.05 0.52 115.15 122.48 1ss3 h HIS 13 Ca 0.14 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.23 1ss3 h HIS 13 Cb 0.13 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 29.95 1ss3 h HIS 13 CO -0.15 0.10 -0.06 -0.22 0.71 0.00 0.00 177.93 178.31 1ss3 h LYS 14 N 0.27 -0.15 0.00 5.26 3.64 -0.31 0.29 116.57 125.57 1ss3 h LYS 14 Ca 0.42 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1ss3 h LYS 14 Cb 1.22 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1ss3 h LYS 14 CO -0.11 -0.10 0.05 1.49 -2.27 0.00 0.00 179.45 178.50 1ss3 h GLU 15 N -0.16 0.00 0.10 1.90 4.81 -1.21 -0.87 114.58 119.16 1ss3 h GLU 15 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1ss3 h GLU 15 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1ss3 h GLU 15 CO 0.03 0.00 -0.05 0.00 -0.73 0.00 0.00 179.01 178.26 1ss3 h SER 17 N -0.84 0.00 -0.95 0.00 0.87 -0.30 -0.24 113.55 112.10 1ss3 h SER 17 Ca -0.01 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.69 1ss3 h SER 17 Cb 0.11 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.99 1ss3 h SER 17 CO 0.02 0.00 0.60 -0.78 -0.53 0.00 0.00 176.83 176.14 1ss3 h ASP 18 N 0.00 0.75 0.02 6.23 3.58 -1.25 0.73 116.42 126.49 1ss3 h ASP 18 Ca -0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1ss3 h ASP 18 Cb 0.00 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1ss3 h ASP 18 CO 0.00 0.37 0.00 0.29 -2.88 0.00 0.00 179.24 177.02 1ss3 n LYS 19 N -4.61 0.01 -1.17 0.28 4.76 -0.10 -4.79 118.16 112.54 1ss3 n LYS 19 Ca 0.19 0.38 -0.04 0.00 -2.87 0.00 0.00 58.31 55.97 1ss3 n LYS 19 Cb 0.46 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.14 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 -1.31 0.63 3.82 0.72 0.00 0.25 -5.04 105.19 104.26 1ss3 n GLY 20 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.95 2.90 0.12 1.61 0.01 -1.25 -5.02 114.94 110.35 1ss3 s ASN 21 Ca 0.00 0.57 -0.31 0.00 -0.71 0.00 0.00 52.86 52.42 1ss3 s ASN 21 Cb 0.00 -0.84 -0.07 0.00 0.41 0.00 0.00 41.25 40.75 1ss3 s ASN 21 CO 0.00 -2.90 1.28 -0.83 -1.51 0.00 0.00 177.10 173.14 1ss3 s GLY 22 N -4.43 2.31 0.18 0.66 0.00 -1.26 -4.87 107.32 99.90 1ss3 s GLY 22 Ca 0.69 0.99 -0.27 0.00 0.00 0.00 0.00 44.72 46.14 1ss3 s GLY 22 CO 0.53 2.12 1.55 -2.75 0.00 0.00 0.00 173.10 174.55 1ss3 h PHE 23 N 6.37 -1.62 -0.04 1.90 3.57 -1.97 0.14 116.94 125.29 1ss3 h PHE 23 Ca -0.43 0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.22 1ss3 h PHE 23 Cb 1.21 0.84 -0.06 0.00 2.79 0.00 0.00 35.95 40.73 1ss3 h PHE 23 CO 0.65 -0.39 -0.52 1.15 -2.23 0.00 0.00 178.31 176.98 1ss3 h THR 24 N -0.02 0.03 -0.61 4.41 2.02 -1.98 0.26 112.91 117.02 1ss3 h THR 24 Ca 0.22 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.50 1ss3 h THR 24 Cb 0.48 0.03 -0.08 0.00 -1.74 0.00 0.00 68.15 66.84 1ss3 h THR 24 CO -0.94 0.00 0.18 0.15 0.37 0.00 0.00 175.52 175.28 1ss3 h PHE 25 N -0.63 0.30 -0.63 3.16 3.57 -1.75 0.16 116.94 121.13 1ss3 h PHE 25 Ca 0.03 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1ss3 h PHE 25 Cb 0.70 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1ss3 h PHE 25 CO -0.52 0.03 0.42 0.00 -2.23 0.00 0.00 178.31 176.01 1ss3 h GLU 27 N 0.85 -0.15 -1.27 0.00 5.08 0.16 0.22 114.58 119.47 1ss3 h GLU 27 Ca 0.23 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.97 1ss3 h GLU 27 Cb -0.09 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1ss3 h GLU 27 CO -0.05 -0.10 0.93 1.98 -1.00 0.00 0.00 179.01 180.77 1ss3 h MET 28 N -0.21 0.00 0.01 2.33 4.05 -0.78 0.21 114.93 120.53 1ss3 h MET 28 Ca -0.02 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1ss3 h MET 28 Cb 0.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1ss3 h MET 28 CO 0.03 0.00 -0.00 -0.22 0.23 0.00 0.00 176.91 176.94 1ss3 h LYS 29 N 0.00 -0.01 -0.95 0.39 1.63 -1.21 -3.25 116.57 113.17 1ss3 h LYS 29 Ca 0.60 0.00 0.28 0.00 -0.85 0.00 0.00 60.65 60.68 1ss3 h LYS 29 Cb 2.45 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 34.05 1ss3 h LYS 29 CO -0.01 -0.00 0.84 0.00 -3.45 0.00 0.00 179.45 176.83 1ss3 h ASP 31 N 0.00 -0.71 1.14 0.00 1.82 -0.76 -3.10 116.42 114.81 1ss3 h ASP 31 Ca 0.45 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 57.09 1ss3 h ASP 31 Cb 2.12 0.18 -0.00 0.00 0.68 0.00 0.00 39.33 42.31 1ss3 h ASP 31 CO -0.00 -0.47 -0.11 0.74 -1.61 0.00 0.00 179.24 177.78 1ss3 h THR 32 N -0.91 0.26 0.00 2.25 2.02 -1.26 -3.32 112.91 111.94 1ss3 h THR 32 Ca -0.09 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1ss3 h THR 32 Cb 0.64 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1ss3 h THR 32 CO 0.14 0.11 0.00 -0.67 0.37 0.00 0.00 175.52 175.47 1ss3 n ASP 33 N -3.22 0.00 -1.52 4.18 2.03 0.21 -2.79 116.55 115.44 1ss3 n ASP 33 Ca 0.01 0.97 -0.04 0.00 0.52 0.00 0.00 54.79 56.25 1ss3 n ASP 33 Cb 0.41 -0.47 0.01 0.00 -0.72 0.00 0.00 41.12 40.35 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 1.12 -1.60 -3.10 0.00 2.88 -1.14 -5.01 113.62 106.77 1ss3 n SER 35 Ca 0.07 -2.31 -0.13 0.00 -1.33 0.00 0.00 58.87 55.16 1ss3 n SER 35 Cb 0.53 1.22 0.13 0.00 -0.75 0.00 0.00 64.21 65.34 1ss3 n SER 35 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1ss3 n VAL 36 N -0.14 0.00 -3.86 2.46 3.14 -1.12 -4.72 118.33 114.10 1ss3 n VAL 36 Ca -0.09 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.21 1ss3 n VAL 36 Cb 0.74 -0.43 -0.02 0.00 -1.06 0.00 0.00 33.84 33.06 1ss3 n VAL 36 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1ss3 s LYS 37 N -3.87 1.75 -0.20 1.45 -2.85 -1.26 -5.10 119.74 109.66 1ss3 s LYS 37 Ca 0.29 -1.00 -0.08 0.00 -1.00 0.00 0.00 55.97 54.19 1ss3 s LYS 37 Cb -0.05 0.60 0.08 0.00 -2.06 0.00 0.00 37.83 36.40 1ss3 s LYS 37 CO 0.25 -0.79 0.43 0.34 0.10 0.00 0.00 175.35 175.68 1ss3 s ASP 38 N -2.92 -0.37 -0.46 0.03 -1.08 -1.26 -5.06 116.67 105.54 1ss3 s ASP 38 Ca 0.12 1.00 0.06 0.00 -0.52 0.00 0.00 52.55 53.22 1ss3 s ASP 38 Cb -0.05 1.24 0.40 0.00 -1.46 0.00 0.00 42.92 43.05 1ss3 s ASP 38 CO 0.06 -0.22 1.05 0.55 0.52 0.00 0.00 175.17 177.13 1ss3 n VAL 39 N 5.07 2.33 -1.47 1.11 3.14 -1.26 -5.07 118.33 122.18 1ss3 n VAL 39 Ca -0.13 -4.90 -0.61 0.00 -2.96 0.00 0.00 64.34 55.74 1ss3 n VAL 39 Cb 0.51 -1.10 -0.10 0.00 -1.06 0.00 0.00 33.84 32.09 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 -0.37 0.24 -1.67 1.45 4.76 -1.26 -4.73 118.16 116.57 1ss3 n LYS 40 Ca 0.34 0.08 -0.45 0.00 -2.87 0.00 0.00 58.31 55.40 1ss3 n LYS 40 Cb 0.61 -1.67 -0.04 0.00 -1.84 0.00 0.00 35.03 32.10 1ss3 n LYS 40 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ss3 n GLU 41 N 6.29 2.49 -1.64 1.97 -0.58 -1.26 -4.79 120.64 123.12 1ss3 n GLU 41 Ca 0.43 0.91 -0.57 0.00 -0.42 0.00 0.00 57.16 57.51 1ss3 n GLU 41 Cb 0.00 -2.80 -0.07 0.00 -0.57 0.00 0.00 31.44 28.00 1ss3 n GLU 41 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ss3 n LYS 42 N 6.60 0.79 -1.65 3.49 2.85 -1.26 -4.76 118.16 124.22 1ss3 n LYS 42 Ca 0.21 0.29 -0.50 0.00 -1.05 0.00 0.00 58.31 57.26 1ss3 n LYS 42 Cb 0.34 -1.90 -0.05 0.00 -0.65 0.00 0.00 35.03 32.77 1ss3 n LYS 42 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ss3 n LEU 43 N 3.56 2.54 -4.06 -5.58 4.77 -1.26 -4.96 117.00 112.01 1ss3 n LEU 43 Ca 0.23 1.08 -0.21 0.00 -0.03 0.00 0.00 56.01 57.08 1ss3 n LEU 43 Cb 0.11 -1.30 -0.15 0.00 -2.33 0.00 0.00 43.42 39.76 1ss3 n LEU 43 CO 0.73 -0.54 -0.46 -1.83 -1.33 0.00 0.00 177.39 173.96 1ss3 s GLU 44 N 1.59 1.07 0.00 3.23 -1.05 -1.26 -4.93 118.70 117.36 1ss3 s GLU 44 Ca 0.86 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 55.26 1ss3 s GLU 44 Cb -0.83 -1.01 0.00 0.00 -0.44 0.00 0.00 34.13 31.85 1ss3 s GLU 44 CO 0.47 0.21 0.00 -1.71 0.95 0.00 0.00 175.26 175.18 1ss3 n ASN 45 N 2.98 0.00 -4.60 0.83 5.15 -1.26 -5.13 115.26 113.23 1ss3 n ASN 45 Ca -0.16 0.00 -0.61 0.00 -0.60 0.00 0.00 54.58 53.21 1ss3 n ASN 45 Cb 0.55 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.72 1ss3 n ASN 45 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ss3 n TYR 46 N 0.00 1.16 -2.70 1.20 4.11 -1.26 -4.92 117.16 114.74 1ss3 n TYR 46 Ca 0.00 1.01 -0.05 0.00 -0.00 0.00 0.00 57.90 58.86 1ss3 n TYR 46 Cb 0.00 -2.18 0.05 0.00 -0.00 0.00 0.00 39.34 37.21 1ss3 n TYR 46 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 1ss3 n LYS 47 N 2.61 0.35 -2.10 -3.48 0.00 -1.26 -5.15 118.16 109.13 1ss3 n LYS 47 Ca 0.24 -1.18 -0.38 0.00 0.00 0.00 0.00 58.31 56.98 1ss3 n LYS 47 Cb 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 35.03 34.44 1ss3 n LYS 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1ss3 s PRO 48 N 0.58 3.70 1.30 1.64 0.04 -1.26 -5.04 135.00 135.95 1ss3 s PRO 48 Ca 0.28 1.98 -0.22 0.00 0.04 0.00 0.00 61.00 63.08 1ss3 s PRO 48 Cb 0.16 -2.49 0.33 0.00 0.04 0.00 0.00 34.50 32.54 1ss3 s PRO 48 CO -0.13 -0.66 1.07 0.36 0.04 0.00 0.00 177.00 177.69 1ss3 n LYS 49 N -0.40 -3.51 0.00 4.56 2.85 -1.26 -5.32 118.16 115.09 1ss3 n LYS 49 Ca 0.07 -1.73 0.16 0.00 -1.05 0.00 0.00 58.31 55.76 1ss3 n LYS 49 Cb 0.46 -1.71 0.91 0.00 -0.65 0.00 0.00 35.03 34.04 1ss3 n LYS 49 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44