#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss3 s GLU 2 N 0.00 0.69 0.00 -1.24 -1.05 -1.26 -4.88 118.70 110.96 1ss3 s GLU 2 Ca 0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.76 1ss3 s GLU 2 Cb 0.00 -1.32 0.00 0.00 -0.44 0.00 0.00 34.13 32.37 1ss3 s GLU 2 CO 0.00 -0.39 0.00 0.00 0.95 0.00 0.00 175.26 175.82 1ss3 n ALA 3 N 5.11 0.00 0.08 -0.84 0.00 -1.26 -4.86 120.51 118.74 1ss3 n ALA 3 Ca -0.08 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.56 1ss3 n ALA 3 Cb 0.49 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.69 1ss3 n ALA 3 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ss3 h GLN 4 N 0.00 0.00 0.07 0.00 4.15 -1.99 0.23 115.11 117.57 1ss3 h GLN 4 Ca 0.00 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.19 1ss3 h GLN 4 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1ss3 h GLN 4 CO 0.00 0.00 -1.21 0.35 -1.93 0.00 0.00 178.83 176.04 1ss3 h PHE 5 N 0.00 0.28 -0.29 3.99 3.04 -1.92 -3.05 116.94 118.99 1ss3 h PHE 5 Ca 0.20 -0.20 0.07 0.00 3.98 0.00 0.00 57.97 62.02 1ss3 h PHE 5 Cb 1.02 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.51 1ss3 h PHE 5 CO 0.00 1.47 0.21 -0.22 -2.02 0.00 0.00 178.31 177.75 1ss3 h LYS 6 N -0.55 0.07 0.06 1.11 3.11 -1.18 0.38 116.57 119.57 1ss3 h LYS 6 Ca -0.28 -0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.32 1ss3 h LYS 6 Cb 1.56 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.77 1ss3 h LYS 6 CO -0.01 0.05 -1.06 0.93 -2.81 0.00 0.00 179.45 176.54 1ss3 h GLU 7 N 0.08 0.30 -0.19 1.90 5.08 -0.82 -1.61 114.58 119.32 1ss3 h GLU 7 Ca 0.14 -0.40 -0.15 0.00 -1.00 0.00 0.00 59.36 57.95 1ss3 h GLU 7 Cb 0.45 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ss3 h GLU 7 CO -0.01 1.12 -0.48 0.00 -1.00 0.00 0.00 179.01 178.65 1ss3 h TYR 9 N 0.34 -0.22 0.08 0.00 5.03 -0.38 0.67 116.97 122.48 1ss3 h TYR 9 Ca -0.01 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 1ss3 h TYR 9 Cb 1.09 0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.44 1ss3 h TYR 9 CO 0.09 -0.04 -0.04 0.22 -1.32 0.00 0.00 178.16 177.07 1ss3 h ASP 10 N -0.37 -0.09 -0.27 -2.11 3.58 -1.36 0.16 116.42 115.96 1ss3 h ASP 10 Ca -0.02 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 1ss3 h ASP 10 Cb 0.29 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1ss3 h ASP 10 CO 0.04 0.03 0.03 0.74 -2.88 0.00 0.00 179.24 177.20 1ss3 h THR 11 N -0.20 1.24 -0.46 2.25 2.02 -1.19 -1.93 112.91 114.63 1ss3 h THR 11 Ca -0.01 -0.81 0.05 0.00 0.77 0.00 0.00 66.41 66.41 1ss3 h THR 11 Cb 0.17 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1ss3 h THR 11 CO 0.02 0.26 0.19 0.00 0.37 0.00 0.00 175.52 176.35 1ss3 h HIS 13 N 0.37 0.93 0.05 0.00 6.17 -0.27 0.55 115.15 122.95 1ss3 h HIS 13 Ca 0.21 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.32 1ss3 h HIS 13 Cb 0.18 -0.29 -0.00 0.00 2.52 0.00 0.00 27.41 29.82 1ss3 h HIS 13 CO -0.14 0.30 -0.04 -0.22 0.71 0.00 0.00 177.93 178.55 1ss3 h LYS 14 N 0.75 -0.08 0.00 5.26 3.64 -0.39 0.34 116.57 126.08 1ss3 h LYS 14 Ca 0.50 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 1ss3 h LYS 14 Cb 0.77 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1ss3 h LYS 14 CO -0.26 -0.05 0.03 1.49 -2.27 0.00 0.00 179.45 178.38 1ss3 h GLU 15 N -0.09 0.00 0.02 1.90 4.81 -1.21 -0.62 114.58 119.40 1ss3 h GLU 15 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ss3 h GLU 15 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1ss3 h GLU 15 CO 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 178.27 1ss3 h SER 17 N -0.23 0.00 -0.91 0.00 0.87 -0.21 0.65 113.55 113.72 1ss3 h SER 17 Ca -0.00 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.75 1ss3 h SER 17 Cb 0.02 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 1ss3 h SER 17 CO 0.00 0.00 0.59 -0.78 -0.53 0.00 0.00 176.83 176.12 1ss3 h ASP 18 N 0.00 0.50 0.00 6.23 3.58 -1.22 0.12 116.42 125.64 1ss3 h ASP 18 Ca 0.09 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1ss3 h ASP 18 Cb 0.68 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1ss3 h ASP 18 CO -0.00 0.21 0.01 0.29 -2.88 0.00 0.00 179.24 176.87 1ss3 n LYS 19 N -4.55 0.06 -0.91 0.28 4.76 0.22 -4.79 118.16 113.22 1ss3 n LYS 19 Ca 0.19 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 56.19 1ss3 n LYS 19 Cb 0.63 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 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 -1.41 0.45 3.86 0.72 0.00 0.41 -5.06 105.19 104.16 1ss3 n GLY 20 Ca -0.01 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.78 2.68 0.46 1.61 0.01 -1.24 -5.06 114.94 110.62 1ss3 s ASN 21 Ca 0.00 0.37 -0.21 0.00 -0.71 0.00 0.00 52.86 52.31 1ss3 s ASN 21 Cb 0.00 -0.47 -0.10 0.00 0.41 0.00 0.00 41.25 41.09 1ss3 s ASN 21 CO 0.00 -3.01 1.00 -0.83 -1.51 0.00 0.00 177.10 172.75 1ss3 s GLY 22 N -4.66 2.47 0.10 0.66 0.00 -1.26 -4.83 107.32 99.80 1ss3 s GLY 22 Ca 0.73 0.52 -0.32 0.00 0.00 0.00 0.00 44.72 45.65 1ss3 s GLY 22 CO 0.54 0.83 1.59 -2.75 0.00 0.00 0.00 173.10 173.30 1ss3 h PHE 23 N 1.77 -1.15 -0.01 1.90 3.04 -1.97 0.33 116.94 120.84 1ss3 h PHE 23 Ca -0.49 0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.50 1ss3 h PHE 23 Cb 1.20 0.47 -0.06 0.00 2.56 0.00 0.00 35.95 40.12 1ss3 h PHE 23 CO 0.59 -0.54 -0.45 1.15 -2.02 0.00 0.00 178.31 177.04 1ss3 h THR 24 N -0.75 0.11 -0.48 4.41 2.02 -1.97 0.49 112.91 116.73 1ss3 h THR 24 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 1ss3 h THR 24 Cb 0.72 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.17 1ss3 h THR 24 CO -0.15 0.00 0.09 0.15 0.37 0.00 0.00 175.52 175.98 1ss3 h PHE 25 N -0.60 0.14 -0.70 3.16 3.57 -1.94 0.21 116.94 120.78 1ss3 h PHE 25 Ca 0.04 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1ss3 h PHE 25 Cb 0.67 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 1ss3 h PHE 25 CO -0.45 -0.01 0.46 0.00 -2.23 0.00 0.00 178.31 176.09 1ss3 h GLU 27 N 0.84 -0.11 -1.16 0.00 5.08 0.19 0.25 114.58 119.67 1ss3 h GLU 27 Ca 0.28 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.99 1ss3 h GLU 27 Cb 0.08 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1ss3 h GLU 27 CO -0.08 -0.07 0.86 0.52 -1.00 0.00 0.00 179.01 179.23 1ss3 h MET 28 N -0.16 0.00 0.05 2.33 2.86 -0.66 0.39 114.93 119.74 1ss3 h MET 28 Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ss3 h MET 28 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1ss3 h MET 28 CO 0.02 0.00 -0.03 -0.22 1.06 0.00 0.00 176.91 177.74 1ss3 h LYS 29 N 0.00 -0.07 -1.20 1.72 1.63 -1.16 -3.18 116.57 114.31 1ss3 h LYS 29 Ca 0.55 0.00 0.35 0.00 -0.85 0.00 0.00 60.65 60.70 1ss3 h LYS 29 Cb 2.26 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 33.85 1ss3 h LYS 29 CO -0.01 -0.05 0.90 0.00 -3.45 0.00 0.00 179.45 176.85 1ss3 h ASP 31 N 0.00 -0.85 0.79 0.00 3.58 -0.40 -2.78 116.42 116.75 1ss3 h ASP 31 Ca 0.57 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.99 1ss3 h ASP 31 Cb 2.36 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 43.62 1ss3 h ASP 31 CO -0.01 -0.58 -0.27 0.74 -2.88 0.00 0.00 179.24 176.24 1ss3 h THR 32 N -1.05 0.71 0.00 2.25 2.02 -1.23 -3.33 112.91 112.29 1ss3 h THR 32 Ca -0.10 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1ss3 h THR 32 Cb 0.77 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1ss3 h THR 32 CO 0.17 0.27 0.00 -0.67 0.37 0.00 0.00 175.52 175.65 1ss3 n ASP 33 N -3.51 0.00 -4.44 4.18 2.03 0.17 -4.05 116.55 110.92 1ss3 n ASP 33 Ca -0.00 0.82 -0.44 0.00 0.52 0.00 0.00 54.79 55.69 1ss3 n ASP 33 Cb 0.43 -0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 40.47 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 3.65 -0.58 1.10 0.00 0.01 -1.26 -4.84 113.70 111.78 1ss3 s SER 35 Ca 0.26 1.19 -0.14 0.00 1.31 0.00 0.00 55.95 58.57 1ss3 s SER 35 Cb -0.12 1.63 0.20 0.00 0.21 0.00 0.00 66.02 67.95 1ss3 s SER 35 CO -0.00 -0.23 0.93 0.52 0.41 0.00 0.00 173.24 174.87 1ss3 n VAL 36 N 5.32 0.00 -2.00 3.43 0.31 -1.26 -5.09 118.33 119.05 1ss3 n VAL 36 Ca -0.11 -0.56 -0.18 0.00 -0.01 0.00 0.00 64.34 63.49 1ss3 n VAL 36 Cb 0.50 -1.40 0.11 0.00 -0.91 0.00 0.00 33.84 32.14 1ss3 n VAL 36 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ss3 n LYS 37 N -3.61 -0.44 -4.06 5.55 4.81 -1.26 -5.11 118.16 114.05 1ss3 n LYS 37 Ca 0.12 -1.57 -0.22 0.00 -0.87 0.00 0.00 58.31 55.77 1ss3 n LYS 37 Cb 0.45 -0.71 -0.05 0.00 0.02 0.00 0.00 35.03 34.74 1ss3 n LYS 37 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ss3 s ASP 38 N -4.03 5.25 -0.37 3.14 2.15 -1.26 -5.11 116.67 116.45 1ss3 s ASP 38 Ca 0.48 -0.42 0.06 0.00 0.43 0.00 0.00 52.55 53.10 1ss3 s ASP 38 Cb -0.02 -1.15 0.17 0.00 -0.30 0.00 0.00 42.92 41.62 1ss3 s ASP 38 CO 0.33 -0.14 0.52 -0.69 -0.17 0.00 0.00 175.17 175.01 1ss3 s VAL 39 N -2.23 -0.73 0.16 1.11 1.01 -1.26 -5.13 120.40 113.32 1ss3 s VAL 39 Ca 0.35 -0.36 -0.33 0.00 0.00 0.00 0.00 61.98 61.64 1ss3 s VAL 39 Cb -0.07 -0.43 -0.16 0.00 0.00 0.00 0.00 36.38 35.73 1ss3 s VAL 39 CO 0.24 -0.23 1.11 0.29 0.00 0.00 0.00 175.10 176.52 1ss3 n LYS 40 N 4.56 1.00 -0.75 2.72 5.02 -1.26 -4.84 118.16 124.60 1ss3 n LYS 40 Ca 0.09 0.36 -0.14 0.00 -2.02 0.00 0.00 58.31 56.60 1ss3 n LYS 40 Cb 0.52 -1.82 0.05 0.00 -0.02 0.00 0.00 35.03 33.76 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 1.66 1.68 -3.01 1.97 -0.58 -1.26 -4.82 120.64 116.28 1ss3 n GLU 41 Ca 0.15 -1.41 -0.09 0.00 -0.42 0.00 0.00 57.16 55.40 1ss3 n GLU 41 Cb 0.23 -1.55 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 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 0.20 0.44 -3.49 3.49 4.81 -1.26 -5.18 118.16 117.16 1ss3 n LYS 42 Ca 0.27 -1.67 -0.11 0.00 -0.87 0.00 0.00 58.31 55.93 1ss3 n LYS 42 Cb 0.73 1.63 -0.03 0.00 0.02 0.00 0.00 35.03 37.38 1ss3 n LYS 42 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1ss3 s LEU 43 N 0.00 -0.47 0.79 3.14 2.96 -1.26 -5.18 118.68 118.66 1ss3 s LEU 43 Ca 0.17 0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 54.12 1ss3 s LEU 43 Cb -0.01 2.25 0.07 0.00 0.50 0.00 0.00 46.19 49.00 1ss3 s LEU 43 CO 0.12 -0.69 1.11 -1.61 -1.32 0.00 0.00 176.35 173.96 1ss3 s GLU 44 N -2.80 2.14 0.11 1.98 8.01 -1.26 -5.11 118.70 121.77 1ss3 s GLU 44 Ca 0.01 0.51 0.02 0.00 0.01 0.00 0.00 54.97 55.51 1ss3 s GLU 44 Cb -0.01 -1.94 0.02 0.00 -4.31 0.00 0.00 34.13 27.89 1ss3 s GLU 44 CO -0.06 -1.55 0.13 0.27 0.01 0.00 0.00 175.26 174.05 1ss3 n ASN 45 N -3.36 0.68 -3.80 -0.19 6.94 -1.26 -5.15 115.26 109.12 1ss3 n ASN 45 Ca 0.07 -1.31 -0.12 0.00 -0.02 0.00 0.00 54.58 53.20 1ss3 n ASN 45 Cb 0.57 -0.06 -0.10 0.00 -2.36 0.00 0.00 39.78 37.84 1ss3 n ASN 45 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1ss3 s TYR 46 N 0.07 -0.14 -0.55 -2.53 1.13 -1.26 -5.11 117.35 108.96 1ss3 s TYR 46 Ca 0.10 0.25 0.04 0.00 -1.41 0.00 0.00 57.07 56.04 1ss3 s TYR 46 Cb -0.01 0.05 0.15 0.00 -1.10 0.00 0.00 41.96 41.05 1ss3 s TYR 46 CO 0.06 -0.29 0.34 0.21 -2.51 0.00 0.00 175.55 173.36 1ss3 s LYS 47 N -0.97 1.80 0.55 -3.49 2.36 -1.26 -5.11 119.74 113.62 1ss3 s LYS 47 Ca -0.10 -2.62 -0.19 0.00 -2.55 0.00 0.00 55.97 50.50 1ss3 s LYS 47 Cb -0.05 -2.82 -0.06 0.00 -1.05 0.00 0.00 37.83 33.85 1ss3 s LYS 47 CO 0.02 -1.22 1.12 -1.25 1.55 0.00 0.00 175.35 175.57 1ss3 s PRO 48 N -0.45 3.35 0.00 4.03 0.04 -1.26 -5.01 135.00 135.70 1ss3 s PRO 48 Ca 0.22 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1ss3 s PRO 48 Cb -0.14 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1ss3 s PRO 48 CO -0.08 -0.84 0.59 1.17 0.04 0.00 0.00 177.00 177.88 1ss3 n LYS 49 N -1.37 0.00 0.00 4.56 0.00 -1.26 -5.36 118.16 114.73 1ss3 n LYS 49 Ca 0.11 0.25 0.13 0.00 0.00 0.00 0.00 58.31 58.80 1ss3 n LYS 49 Cb 0.51 -1.14 0.32 0.00 0.00 0.00 0.00 35.03 34.72 1ss3 n LYS 49 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69