#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 0.33 -0.55 -1.24 4.11 -2.05 -2.89 114.58 112.30 1ss3 h GLU 2 Ca 0.00 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.52 1ss3 h GLU 2 Cb 0.00 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.08 1ss3 h GLU 2 CO 0.00 0.22 0.00 0.00 0.07 0.00 0.00 179.01 179.30 1ss3 h ALA 3 N 1.77 0.53 -0.73 1.06 0.00 -2.04 0.36 119.26 120.20 1ss3 h ALA 3 Ca 0.19 0.16 0.21 0.00 0.00 0.00 0.00 54.91 55.47 1ss3 h ALA 3 Cb 0.31 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ss3 h ALA 3 CO -0.04 -0.39 0.59 1.96 0.00 0.00 0.00 179.25 181.37 1ss3 h GLN 4 N 0.12 0.00 0.07 0.00 1.08 -1.95 0.42 115.11 114.85 1ss3 h GLN 4 Ca 0.28 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.20 1ss3 h GLN 4 Cb 0.43 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1ss3 h GLN 4 CO -0.46 0.00 -1.50 0.35 -0.95 0.00 0.00 178.83 176.26 1ss3 h PHE 5 N 0.00 0.26 -0.65 2.96 3.04 -1.33 -3.29 116.94 117.93 1ss3 h PHE 5 Ca 0.34 -0.19 0.07 0.00 3.98 0.00 0.00 57.97 62.18 1ss3 h PHE 5 Cb 1.51 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.97 1ss3 h PHE 5 CO 0.00 1.59 0.43 -0.22 -2.02 0.00 0.00 178.31 178.09 1ss3 h LYS 6 N -0.49 0.60 -0.30 1.11 3.64 0.84 0.52 116.57 122.48 1ss3 h LYS 6 Ca -0.35 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 58.92 1ss3 h LYS 6 Cb 1.64 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.32 1ss3 h LYS 6 CO -0.05 0.40 -0.09 1.05 -2.27 0.00 0.00 179.45 178.49 1ss3 h GLU 7 N 0.62 0.60 -0.21 1.90 4.11 -0.42 -1.06 114.58 120.11 1ss3 h GLU 7 Ca 0.29 -0.24 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 1ss3 h GLU 7 Cb 0.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ss3 h GLU 7 CO -0.09 0.80 -0.01 0.00 0.07 0.00 0.00 179.01 179.78 1ss3 h TYR 9 N 0.14 -0.65 0.15 0.00 5.03 -0.08 0.64 116.97 122.21 1ss3 h TYR 9 Ca 0.06 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1ss3 h TYR 9 Cb 0.41 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1ss3 h TYR 9 CO 0.04 -0.39 -0.12 0.22 -1.32 0.00 0.00 178.16 176.59 1ss3 h ASP 10 N -0.64 -0.31 -0.36 -2.11 1.82 -1.13 0.21 116.42 113.90 1ss3 h ASP 10 Ca -0.05 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.54 1ss3 h ASP 10 Cb 0.52 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1ss3 h ASP 10 CO 0.06 -0.19 -0.05 0.74 -1.61 0.00 0.00 179.24 178.19 1ss3 h THR 11 N -0.29 1.27 -0.78 2.25 2.02 -0.77 -0.38 112.91 116.24 1ss3 h THR 11 Ca -0.00 -1.09 0.03 0.00 0.77 0.00 0.00 66.41 66.11 1ss3 h THR 11 Cb 0.26 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 1ss3 h THR 11 CO -0.01 0.36 0.50 0.00 0.37 0.00 0.00 175.52 176.74 1ss3 h HIS 13 N 0.99 0.66 0.41 0.00 6.17 0.12 0.47 115.15 123.96 1ss3 h HIS 13 Ca 0.30 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.38 1ss3 h HIS 13 Cb -0.02 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 29.70 1ss3 h HIS 13 CO -0.03 0.36 -0.22 0.87 0.71 0.00 0.00 177.93 179.63 1ss3 h LYS 14 N 0.66 -0.55 -0.08 5.26 1.57 -0.51 -0.23 116.57 122.69 1ss3 h LYS 14 Ca 0.26 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1ss3 h LYS 14 Cb 0.21 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1ss3 h LYS 14 CO -0.08 -0.37 0.07 1.49 -0.57 0.00 0.00 179.45 179.99 1ss3 h GLU 15 N -0.57 0.00 0.13 3.15 4.81 -1.13 0.17 114.58 121.14 1ss3 h GLU 15 Ca -0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1ss3 h GLU 15 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1ss3 h GLU 15 CO 0.08 0.00 -0.06 0.00 -0.73 0.00 0.00 179.01 178.29 1ss3 h SER 17 N -0.95 0.00 -0.89 0.00 0.87 -0.97 -2.96 113.55 108.65 1ss3 h SER 17 Ca -0.02 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.66 1ss3 h SER 17 Cb 0.47 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.34 1ss3 h SER 17 CO 0.03 0.18 0.52 -0.78 -0.53 0.00 0.00 176.83 176.24 1ss3 h ASP 18 N 0.00 0.71 0.00 6.23 1.82 -0.73 -1.18 116.42 123.28 1ss3 h ASP 18 Ca -0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1ss3 h ASP 18 Cb 0.56 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1ss3 h ASP 18 CO 0.02 0.36 0.00 0.29 -1.61 0.00 0.00 179.24 178.30 1ss3 n LYS 19 N -4.75 0.00 -0.67 0.28 4.76 -1.12 -4.79 118.16 111.88 1ss3 n LYS 19 Ca 0.17 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 1ss3 n LYS 19 Cb 0.36 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 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 -1.39 0.61 3.71 0.72 0.00 -0.44 -5.08 105.19 103.33 1ss3 n GLY 20 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.43 2.36 -0.03 1.61 0.01 -1.24 -5.00 114.94 110.21 1ss3 s ASN 21 Ca 0.00 0.81 -0.30 0.00 -0.71 0.00 0.00 52.86 52.66 1ss3 s ASN 21 Cb 0.00 -1.23 -0.04 0.00 0.41 0.00 0.00 41.25 40.39 1ss3 s ASN 21 CO 0.00 -3.25 1.26 -0.83 -1.51 0.00 0.00 177.10 172.76 1ss3 s GLY 22 N -3.96 2.06 0.11 0.66 0.00 -1.26 -4.80 107.32 100.13 1ss3 s GLY 22 Ca 0.68 0.72 -0.21 0.00 0.00 0.00 0.00 44.72 45.91 1ss3 s GLY 22 CO 0.55 2.28 1.28 0.33 0.00 0.00 0.00 173.10 177.54 1ss3 n PHE 23 N 5.12 -0.30 -0.00 1.90 7.35 -1.26 -0.37 117.46 129.90 1ss3 n PHE 23 Ca 0.11 0.84 -0.11 0.00 -0.76 0.00 0.00 57.45 57.54 1ss3 n PHE 23 Cb 0.45 -0.54 -0.04 0.00 0.35 0.00 0.00 39.48 39.70 1ss3 n PHE 23 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1ss3 h THR 24 N 0.00 0.28 -0.61 -2.13 2.02 -1.99 0.75 112.91 111.24 1ss3 h THR 24 Ca 0.11 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.37 1ss3 h THR 24 Cb 0.27 0.28 -0.07 0.00 -1.74 0.00 0.00 68.15 66.90 1ss3 h THR 24 CO -0.63 0.00 0.26 0.15 0.37 0.00 0.00 175.52 175.67 1ss3 h PHE 25 N -0.40 0.45 -0.87 3.16 3.57 -1.82 0.07 116.94 121.10 1ss3 h PHE 25 Ca 0.10 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1ss3 h PHE 25 Cb 0.55 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1ss3 h PHE 25 CO -0.41 0.15 0.58 0.00 -2.23 0.00 0.00 178.31 176.40 1ss3 h GLU 27 N 1.17 -1.02 -0.77 0.00 5.08 0.33 0.19 114.58 119.56 1ss3 h GLU 27 Ca 0.32 0.07 0.22 0.00 -1.00 0.00 0.00 59.36 58.98 1ss3 h GLU 27 Cb -0.12 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1ss3 h GLU 27 CO -0.08 -0.68 0.64 1.98 -1.00 0.00 0.00 179.01 179.87 1ss3 h MET 28 N -1.06 0.00 0.00 2.33 4.05 -0.97 0.13 114.93 119.41 1ss3 h MET 28 Ca -0.10 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 1ss3 h MET 28 Cb 0.83 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1ss3 h MET 28 CO 0.15 0.00 -0.18 -0.22 0.23 0.00 0.00 176.91 176.89 1ss3 h LYS 29 N 0.00 0.00 -1.05 0.39 3.64 -1.29 -3.34 116.57 114.91 1ss3 h LYS 29 Ca 0.37 0.00 0.31 0.00 -1.27 0.00 0.00 60.65 60.05 1ss3 h LYS 29 Cb 1.64 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.42 1ss3 h LYS 29 CO -0.00 0.35 0.89 0.00 -2.27 0.00 0.00 179.45 178.42 1ss3 h ASP 31 N 0.00 -0.48 0.91 0.00 1.82 -0.96 -3.23 116.42 114.48 1ss3 h ASP 31 Ca 0.50 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.16 1ss3 h ASP 31 Cb 2.28 0.13 0.00 0.00 0.68 0.00 0.00 39.33 42.41 1ss3 h ASP 31 CO -0.01 -0.34 0.00 0.41 -1.61 0.00 0.00 179.24 177.70 1ss3 n THR 32 N -3.58 0.74 0.10 2.25 -1.04 -0.69 -3.86 114.28 108.21 1ss3 n THR 32 Ca -0.07 0.08 -0.04 0.00 -2.04 0.00 0.00 64.05 61.98 1ss3 n THR 32 Cb 0.23 -0.96 -0.02 0.00 -1.82 0.00 0.00 70.33 67.76 1ss3 n THR 32 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1ss3 h ASP 33 N 0.00 -0.22 -0.06 8.00 1.82 -0.11 -3.26 116.42 122.60 1ss3 h ASP 33 Ca 0.00 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 1ss3 h ASP 33 Cb 0.46 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 1ss3 h ASP 33 CO 0.00 -0.14 0.04 0.00 -1.61 0.00 0.00 179.24 177.53 1ss3 s SER 35 N 1.05 -0.16 0.92 0.00 0.15 -1.23 -4.99 113.70 109.43 1ss3 s SER 35 Ca 0.04 0.12 -0.13 0.00 0.70 0.00 0.00 55.95 56.68 1ss3 s SER 35 Cb 0.03 0.35 0.18 0.00 -1.71 0.00 0.00 66.02 64.87 1ss3 s SER 35 CO 0.01 -0.35 1.26 -0.69 1.20 0.00 0.00 173.24 174.67 1ss3 s VAL 36 N -1.01 2.02 0.29 4.45 1.01 -1.26 -4.82 120.40 121.08 1ss3 s VAL 36 Ca -0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1ss3 s VAL 36 Cb -0.05 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1ss3 s VAL 36 CO 0.03 0.00 0.50 2.29 0.00 0.00 0.00 175.10 177.92 1ss3 n LYS 37 N -3.60 0.72 -3.12 2.72 2.85 -1.26 -5.02 118.16 111.45 1ss3 n LYS 37 Ca 0.15 -1.99 -0.43 0.00 -1.05 0.00 0.00 58.31 54.98 1ss3 n LYS 37 Cb 0.60 2.16 -0.07 0.00 -0.65 0.00 0.00 35.03 37.07 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 -2.68 6.32 -0.85 -5.58 -1.08 -1.26 -5.00 116.67 106.55 1ss3 s ASP 38 Ca 0.18 -0.36 0.01 0.00 -0.52 0.00 0.00 52.55 51.86 1ss3 s ASP 38 Cb -0.02 -2.32 0.31 0.00 -1.46 0.00 0.00 42.92 39.43 1ss3 s ASP 38 CO 0.13 -0.78 1.28 0.55 0.52 0.00 0.00 175.17 176.87 1ss3 n VAL 39 N 5.84 4.33 -1.68 1.11 3.14 -1.26 -5.06 118.33 124.75 1ss3 n VAL 39 Ca -0.02 -5.71 -0.50 0.00 -2.96 0.00 0.00 64.34 55.15 1ss3 n VAL 39 Cb 0.48 -1.79 -0.05 0.00 -1.06 0.00 0.00 33.84 31.42 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 0.48 1.82 -0.87 1.45 5.02 -1.26 -4.87 118.16 119.93 1ss3 n LYS 40 Ca 0.34 0.66 0.02 0.00 -2.02 0.00 0.00 58.31 57.31 1ss3 n LYS 40 Cb 0.34 -2.44 0.17 0.00 -0.02 0.00 0.00 35.03 33.09 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 5.31 1.73 -2.89 1.97 1.02 -1.26 -4.69 120.64 121.83 1ss3 n GLU 41 Ca 0.22 -3.33 -0.28 0.00 -0.02 0.00 0.00 57.16 53.75 1ss3 n GLU 41 Cb 0.24 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 1ss3 n GLU 41 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ss3 n LYS 42 N -0.94 3.47 -0.78 3.49 4.81 -1.26 -5.07 118.16 121.87 1ss3 n LYS 42 Ca 0.21 -4.83 -0.33 0.00 -0.87 0.00 0.00 58.31 52.49 1ss3 n LYS 42 Cb 0.76 -2.26 0.13 0.00 0.02 0.00 0.00 35.03 33.67 1ss3 n LYS 42 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1ss3 n LEU 43 N -0.24 -1.16 -4.48 3.14 4.32 -1.26 -4.97 117.00 112.35 1ss3 n LEU 43 Ca 0.33 0.21 -0.33 0.00 -0.02 0.00 0.00 56.01 56.20 1ss3 n LEU 43 Cb 0.39 -1.11 0.13 0.00 -1.62 0.00 0.00 43.42 41.21 1ss3 n LEU 43 CO 0.36 -3.65 0.11 -0.62 -1.22 0.00 0.00 177.39 172.37 1ss3 n GLU 44 N -1.43 -0.30 0.00 3.23 4.71 -1.26 -4.94 120.64 120.64 1ss3 n GLU 44 Ca 0.05 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1ss3 n GLU 44 Cb 0.56 -1.99 0.00 0.00 -1.01 0.00 0.00 31.44 29.00 1ss3 n GLU 44 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ss3 n ASN 45 N -2.02 0.00 -4.37 1.62 3.02 -1.26 -5.10 115.26 107.15 1ss3 n ASN 45 Ca 0.08 0.00 -0.51 0.00 -0.03 0.00 0.00 54.58 54.12 1ss3 n ASN 45 Cb 0.53 0.32 -0.13 0.00 -0.61 0.00 0.00 39.78 39.89 1ss3 n ASN 45 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ss3 n TYR 46 N -2.18 0.93 -3.62 3.10 4.01 -1.26 -4.94 117.16 113.20 1ss3 n TYR 46 Ca 0.00 0.56 -0.31 0.00 -0.16 0.00 0.00 57.90 58.00 1ss3 n TYR 46 Cb 0.00 -2.35 -0.04 0.00 -0.31 0.00 0.00 39.34 36.64 1ss3 n TYR 46 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1ss3 s LYS 47 N 7.35 3.63 1.04 -0.72 -2.85 -1.26 -5.09 119.74 121.83 1ss3 s LYS 47 Ca 1.26 -0.07 -0.12 0.00 -1.00 0.00 0.00 55.97 56.03 1ss3 s LYS 47 Cb -1.34 -2.81 0.21 0.00 -2.06 0.00 0.00 37.83 31.83 1ss3 s LYS 47 CO 0.57 0.42 1.07 -1.25 0.10 0.00 0.00 175.35 176.26 1ss3 s PRO 48 N -2.82 0.10 0.14 1.78 0.04 -1.26 -5.08 135.00 127.90 1ss3 s PRO 48 Ca 0.42 0.81 0.08 0.00 0.04 0.00 0.00 61.00 62.35 1ss3 s PRO 48 Cb -0.12 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1ss3 s PRO 48 CO 0.25 -3.03 -0.18 0.21 0.04 0.00 0.00 177.00 174.29 1ss3 s LYS 49 N -4.72 1.18 0.00 4.56 2.36 -1.26 -5.30 119.74 116.55 1ss3 s LYS 49 Ca 0.66 -1.30 0.00 0.00 -2.55 0.00 0.00 55.97 52.79 1ss3 s LYS 49 Cb -0.21 -1.25 0.00 0.00 -1.05 0.00 0.00 37.83 35.31 1ss3 s LYS 49 CO 0.60 0.26 0.00 -1.71 1.55 0.00 0.00 175.35 176.06