#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 0.65 -0.00 -0.67 1.02 -1.26 -4.49 120.64 115.88 1ss3 n GLU 2 Ca 0.00 -0.48 -0.11 0.00 -0.02 0.00 0.00 57.16 56.56 1ss3 n GLU 2 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.88 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 3.49 0.12 -1.23 0.62 0.00 -2.05 0.52 119.26 120.74 1ss3 h ALA 3 Ca 0.00 0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.27 1ss3 h ALA 3 Cb 0.59 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1ss3 h ALA 3 CO 0.00 -0.41 0.86 1.96 0.00 0.00 0.00 179.25 181.66 1ss3 h GLN 4 N 0.11 0.10 0.11 0.00 4.20 -2.01 0.71 115.11 118.33 1ss3 h GLN 4 Ca 0.04 -0.01 -0.36 0.00 0.06 0.00 0.00 58.65 58.39 1ss3 h GLN 4 Cb 0.01 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1ss3 h GLN 4 CO -0.04 0.07 -1.98 0.34 -0.67 0.00 0.00 178.83 176.55 1ss3 n PHE 5 N -4.32 1.15 -0.25 2.96 -0.00 -0.72 -3.56 117.46 112.73 1ss3 n PHE 5 Ca 0.28 0.26 0.16 0.00 -0.00 0.00 0.00 57.45 58.15 1ss3 n PHE 5 Cb 1.24 -1.15 0.45 0.00 -0.00 0.00 0.00 39.48 40.03 1ss3 n PHE 5 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.76 178.33 1ss3 h LYS 6 N -0.03 0.51 -0.17 -4.13 5.09 0.17 0.46 116.57 118.47 1ss3 h LYS 6 Ca -0.43 -0.03 -0.20 0.00 0.09 0.00 0.00 60.65 60.08 1ss3 h LYS 6 Cb 1.96 -0.12 0.01 0.00 0.10 0.00 0.00 32.23 34.19 1ss3 h LYS 6 CO 0.05 0.34 -0.66 1.49 -2.09 0.00 0.00 179.45 178.58 1ss3 h GLU 7 N 0.53 0.76 -0.30 0.07 4.81 -1.10 -1.04 114.58 118.31 1ss3 h GLU 7 Ca 0.45 -0.58 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1ss3 h GLU 7 Cb 0.95 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1ss3 h GLU 7 CO -0.19 1.20 0.01 0.00 -0.73 0.00 0.00 179.01 179.30 1ss3 h TYR 9 N 0.31 -0.40 0.43 0.00 5.03 -0.23 0.66 116.97 122.77 1ss3 h TYR 9 Ca 0.09 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 1ss3 h TYR 9 Cb 0.41 0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1ss3 h TYR 9 CO 0.03 -0.23 -0.21 0.22 -1.32 0.00 0.00 178.16 176.66 1ss3 h ASP 10 N -0.46 -0.49 -0.37 -2.11 1.82 -1.17 0.14 116.42 113.79 1ss3 h ASP 10 Ca -0.04 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.58 1ss3 h ASP 10 Cb 0.35 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 1ss3 h ASP 10 CO 0.07 -0.33 0.15 0.74 -1.61 0.00 0.00 179.24 178.26 1ss3 h THR 11 N -0.59 1.19 -0.29 2.25 2.02 -0.79 -1.67 112.91 115.03 1ss3 h THR 11 Ca -0.06 -0.59 0.05 0.00 0.77 0.00 0.00 66.41 66.57 1ss3 h THR 11 Cb 0.45 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1ss3 h THR 11 CO 0.10 0.21 0.01 0.00 0.37 0.00 0.00 175.52 176.21 1ss3 h HIS 13 N 0.11 0.89 0.10 0.00 6.17 -0.06 0.54 115.15 122.90 1ss3 h HIS 13 Ca 0.14 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.24 1ss3 h HIS 13 Cb 0.17 -0.27 -0.00 0.00 2.52 0.00 0.00 27.41 29.83 1ss3 h HIS 13 CO -0.20 0.22 -0.08 -0.22 0.71 0.00 0.00 177.93 178.35 1ss3 h LYS 14 N 0.65 -0.17 0.00 5.26 3.64 -0.35 0.30 116.57 125.90 1ss3 h LYS 14 Ca 0.54 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1ss3 h LYS 14 Cb 0.98 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1ss3 h LYS 14 CO -0.30 -0.11 0.00 -1.91 -2.27 0.00 0.00 179.45 174.86 1ss3 n GLU 15 N -2.75 0.13 -0.02 1.90 2.13 -0.93 -1.67 120.64 119.43 1ss3 n GLU 15 Ca -0.02 0.60 -0.00 0.00 0.66 0.00 0.00 57.16 58.39 1ss3 n GLU 15 Cb 0.08 -1.90 -0.00 0.00 0.27 0.00 0.00 31.44 29.89 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 -0.39 0.00 -0.98 0.00 0.87 -0.33 0.51 113.55 113.24 1ss3 h SER 17 Ca 0.00 0.00 0.21 0.00 -1.23 0.00 0.00 61.79 60.77 1ss3 h SER 17 Cb 0.02 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.89 1ss3 h SER 17 CO 0.00 0.00 0.62 -0.78 -0.53 0.00 0.00 176.83 176.14 1ss3 h ASP 18 N 0.00 0.59 0.00 6.23 3.58 -1.44 0.10 116.42 125.49 1ss3 h ASP 18 Ca 0.22 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1ss3 h ASP 18 Cb 1.26 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1ss3 h ASP 18 CO -0.00 0.20 0.02 0.29 -2.88 0.00 0.00 179.24 176.87 1ss3 n LYS 19 N -4.65 0.05 -0.89 0.28 4.76 0.17 -4.77 118.16 113.11 1ss3 n LYS 19 Ca 0.22 0.54 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1ss3 n LYS 19 Cb 0.68 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 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 0.48 3.91 0.72 0.00 0.36 -5.05 105.19 104.20 1ss3 n GLY 20 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.61 3.17 0.33 1.61 0.01 -1.25 -5.05 114.94 111.16 1ss3 s ASN 21 Ca 0.00 0.36 -0.26 0.00 -0.71 0.00 0.00 52.86 52.25 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 -2.70 0.99 -0.83 -1.51 0.00 0.00 177.10 173.04 1ss3 s GLY 22 N -4.79 2.85 0.24 0.66 0.00 -1.26 -4.81 107.32 100.21 1ss3 s GLY 22 Ca 0.72 0.62 -0.06 0.00 0.00 0.00 0.00 44.72 46.00 1ss3 s GLY 22 CO 0.53 1.09 1.67 0.27 0.00 0.00 0.00 173.10 176.65 1ss3 h PHE 23 N 3.18 0.13 0.66 1.90 -0.00 -1.97 0.30 116.94 121.14 1ss3 h PHE 23 Ca -0.47 0.05 -0.03 0.00 -0.00 0.00 0.00 57.97 57.52 1ss3 h PHE 23 Cb 1.20 0.06 -0.00 0.00 -0.00 0.00 0.00 35.95 37.21 1ss3 h PHE 23 CO 0.60 -0.15 -0.40 1.15 -0.00 0.00 0.00 178.31 179.52 1ss3 h THR 24 N 0.19 0.00 -0.71 0.88 2.02 -1.98 0.45 112.91 113.76 1ss3 h THR 24 Ca 0.40 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.69 1ss3 h THR 24 Cb 0.69 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.02 1ss3 h THR 24 CO -0.56 0.00 0.31 0.15 0.37 0.00 0.00 175.52 175.79 1ss3 h PHE 25 N -0.98 0.53 -0.72 3.16 3.57 -1.92 0.90 116.94 121.48 1ss3 h PHE 25 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1ss3 h PHE 25 Cb 0.78 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 1ss3 h PHE 25 CO -0.05 0.13 0.47 0.00 -2.23 0.00 0.00 178.31 176.63 1ss3 h GLU 27 N 0.98 -0.29 -0.76 0.00 5.08 0.21 0.31 114.58 120.11 1ss3 h GLU 27 Ca 0.26 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.86 1ss3 h GLU 27 Cb -0.09 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1ss3 h GLU 27 CO -0.05 -0.19 0.69 1.98 -1.00 0.00 0.00 179.01 180.43 1ss3 h MET 28 N -0.39 0.00 0.00 2.33 4.05 -0.92 0.23 114.93 120.23 1ss3 h MET 28 Ca -0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1ss3 h MET 28 Cb 0.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1ss3 h MET 28 CO 0.05 0.00 -0.05 -0.22 0.23 0.00 0.00 176.91 176.92 1ss3 h LYS 29 N 0.00 0.00 -1.36 0.39 3.11 -1.23 -3.29 116.57 114.19 1ss3 h LYS 29 Ca 0.36 0.00 0.39 0.00 -2.81 0.00 0.00 60.65 58.60 1ss3 h LYS 29 Cb 1.73 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.91 1ss3 h LYS 29 CO -0.00 0.00 1.09 0.00 -2.81 0.00 0.00 179.45 177.73 1ss3 h ASP 31 N 0.00 -0.80 1.27 0.00 3.58 -0.74 -3.10 116.42 116.63 1ss3 h ASP 31 Ca 0.64 0.03 0.00 0.00 0.42 0.00 0.00 57.03 58.12 1ss3 h ASP 31 Cb 2.82 0.21 0.00 0.00 1.72 0.00 0.00 39.33 44.08 1ss3 h ASP 31 CO -0.01 -0.53 0.00 0.74 -2.88 0.00 0.00 179.24 176.56 1ss3 h THR 32 N -1.02 0.00 0.08 2.25 2.02 -1.15 -3.34 112.91 111.74 1ss3 h THR 32 Ca -0.10 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1ss3 h THR 32 Cb 0.72 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1ss3 h THR 32 CO 0.16 0.00 -0.06 -0.78 0.37 0.00 0.00 175.52 175.20 1ss3 h ASP 33 N 0.00 -0.17 0.00 4.18 3.58 0.50 -3.24 116.42 121.27 1ss3 h ASP 33 Ca 0.00 0.01 -0.56 0.00 0.42 0.00 0.00 57.03 56.90 1ss3 h ASP 33 Cb 0.64 0.05 0.02 0.00 1.72 0.00 0.00 39.33 41.76 1ss3 h ASP 33 CO 0.00 -0.09 3.04 0.00 -2.88 0.00 0.00 179.24 179.31 1ss3 n SER 35 N 4.78 0.00 -3.45 0.00 7.64 -1.22 -5.03 113.62 116.34 1ss3 n SER 35 Ca 0.57 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 60.24 1ss3 n SER 35 Cb 0.24 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.59 1ss3 n SER 35 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ss3 n VAL 36 N -0.58 0.00 -3.23 0.44 0.31 -1.26 -4.89 118.33 109.12 1ss3 n VAL 36 Ca 0.00 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 1ss3 n VAL 36 Cb 0.00 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 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 -3.06 0.00 -3.80 5.55 2.85 -1.26 -4.99 118.16 113.45 1ss3 n LYS 37 Ca 0.12 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.02 1ss3 n LYS 37 Cb 0.43 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.68 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 0.01 4.92 -0.54 -5.58 -1.08 -1.26 -5.01 116.67 108.14 1ss3 s ASP 38 Ca 0.00 -0.51 0.05 0.00 -0.52 0.00 0.00 52.55 51.57 1ss3 s ASP 38 Cb 0.00 -1.85 0.37 0.00 -1.46 0.00 0.00 42.92 39.97 1ss3 s ASP 38 CO 0.00 -0.11 1.00 0.55 0.52 0.00 0.00 175.17 177.13 1ss3 n VAL 39 N 4.86 2.85 -1.51 1.11 3.14 -1.26 -5.05 118.33 122.48 1ss3 n VAL 39 Ca -0.16 -5.38 -0.32 0.00 -2.96 0.00 0.00 64.34 55.52 1ss3 n VAL 39 Cb 0.49 -1.35 -0.15 0.00 -1.06 0.00 0.00 33.84 31.77 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 -0.32 0.20 -1.28 1.45 5.02 -1.26 -4.73 118.16 117.25 1ss3 n LYS 40 Ca 0.33 -0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 56.27 1ss3 n LYS 40 Cb 0.48 -1.84 0.13 0.00 -0.02 0.00 0.00 35.03 33.78 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 7.75 2.46 -1.38 1.97 -0.58 -1.26 -4.41 120.64 125.19 1ss3 n GLU 41 Ca 0.61 -3.18 -0.25 0.00 -0.42 0.00 0.00 57.16 53.92 1ss3 n GLU 41 Cb 0.17 -2.21 0.10 0.00 -0.57 0.00 0.00 31.44 28.93 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 -1.04 2.68 -1.24 3.49 4.81 -1.26 -5.04 118.16 120.56 1ss3 n LYS 42 Ca 0.59 -3.43 -0.37 0.00 -0.87 0.00 0.00 58.31 54.23 1ss3 n LYS 42 Cb 1.18 -2.19 0.05 0.00 0.02 0.00 0.00 35.03 34.10 1ss3 n LYS 42 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ss3 n LEU 43 N -0.95 -0.93 -3.62 3.14 0.00 -1.26 -5.02 117.00 108.36 1ss3 n LEU 43 Ca 0.53 0.57 -0.04 0.00 0.00 0.00 0.00 56.01 57.07 1ss3 n LEU 43 Cb 0.96 -1.08 -0.06 0.00 0.00 0.00 0.00 43.42 43.24 1ss3 n LEU 43 CO 0.57 -3.80 0.42 -0.70 0.00 0.00 0.00 177.39 173.87 1ss3 s GLU 44 N -2.24 0.57 1.06 1.96 2.12 -1.26 -5.16 118.70 115.74 1ss3 s GLU 44 Ca 0.61 1.13 -0.13 0.00 0.36 0.00 0.00 54.97 56.94 1ss3 s GLU 44 Cb -0.37 0.34 0.22 0.00 0.26 0.00 0.00 34.13 34.59 1ss3 s GLU 44 CO 0.62 -0.14 1.07 -0.80 -0.54 0.00 0.00 175.26 175.47 1ss3 s ASN 45 N 1.98 2.01 0.02 -1.70 0.01 -1.26 -5.08 114.94 110.93 1ss3 s ASN 45 Ca -0.08 1.28 0.04 0.00 -0.71 0.00 0.00 52.86 53.39 1ss3 s ASN 45 Cb -0.07 -1.98 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 1ss3 s ASN 45 CO -0.18 -3.52 -0.12 -0.72 -1.51 0.00 0.00 177.10 171.04 1ss3 s TYR 46 N -2.80 1.09 0.00 2.20 1.13 -1.26 -4.95 117.35 112.75 1ss3 s TYR 46 Ca 0.66 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 56.03 1ss3 s TYR 46 Cb -0.21 -0.67 0.00 0.00 -1.10 0.00 0.00 41.96 39.99 1ss3 s TYR 46 CO 0.60 0.00 0.00 1.63 -2.51 0.00 0.00 175.55 175.27 1ss3 n LYS 47 N 2.26 0.00 -0.89 -3.49 4.76 -1.26 -5.01 118.16 114.52 1ss3 n LYS 47 Ca -0.16 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.03 1ss3 n LYS 47 Cb 0.55 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.70 1ss3 n LYS 47 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1ss3 n PRO 48 N 0.00 2.43 -0.02 1.97 -0.04 -1.26 -4.76 135.00 133.32 1ss3 n PRO 48 Ca 0.00 -1.54 -0.01 0.00 -0.04 0.00 0.00 63.50 61.91 1ss3 n PRO 48 Cb 0.00 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.01 1ss3 n PRO 48 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ss3 h LYS 49 N 5.52 -0.03 -0.03 0.54 3.11 -1.99 -3.55 116.57 120.14 1ss3 h LYS 49 Ca 0.54 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.38 1ss3 h LYS 49 Cb 0.35 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1ss3 h LYS 49 CO 1.35 -0.02 0.00 0.09 -2.81 0.00 0.00 179.45 178.06