#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 -0.44 -1.24 5.08 -2.05 -0.44 114.58 115.48 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 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1ss3 h GLU 2 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1ss3 h ALA 3 N 1.20 0.41 -1.21 3.43 0.00 -2.05 0.40 119.26 121.43 1ss3 h ALA 3 Ca 0.35 0.13 0.35 0.00 0.00 0.00 0.00 54.91 55.74 1ss3 h ALA 3 Cb 1.84 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 19.77 1ss3 h ALA 3 CO -0.00 -0.39 0.83 -0.56 0.00 0.00 0.00 179.25 179.13 1ss3 h GLN 4 N 0.11 0.15 0.10 0.00 3.07 -1.52 -0.11 115.11 116.91 1ss3 h GLN 4 Ca 0.22 -0.01 -0.37 0.00 0.09 0.00 0.00 58.65 58.58 1ss3 h GLN 4 Cb 0.32 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.82 1ss3 h GLN 4 CO -0.37 0.10 -2.10 0.34 0.09 0.00 0.00 178.83 176.90 1ss3 n PHE 5 N -4.41 0.98 -0.18 0.06 7.35 -0.64 -3.68 117.46 116.94 1ss3 n PHE 5 Ca 0.29 0.21 0.19 0.00 -0.76 0.00 0.00 57.45 57.37 1ss3 n PHE 5 Cb 1.20 -1.13 0.55 0.00 0.35 0.00 0.00 39.48 40.45 1ss3 n PHE 5 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1ss3 h LYS 6 N 0.06 0.32 -0.17 -4.13 3.64 0.11 0.46 116.57 116.86 1ss3 h LYS 6 Ca -0.45 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 58.78 1ss3 h LYS 6 Cb 2.01 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.76 1ss3 h LYS 6 CO 0.05 0.21 -0.39 0.93 -2.27 0.00 0.00 179.45 177.98 1ss3 h GLU 7 N 0.33 0.56 -0.43 1.90 4.39 -1.24 -1.30 114.58 118.80 1ss3 h GLU 7 Ca 0.40 -0.38 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1ss3 h GLU 7 Cb 1.07 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1ss3 h GLU 7 CO -0.12 0.99 0.10 0.00 -1.16 0.00 0.00 179.01 178.83 1ss3 h TYR 9 N 0.56 -0.29 0.33 0.00 5.03 -0.25 0.62 116.97 122.97 1ss3 h TYR 9 Ca 0.13 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 1ss3 h TYR 9 Cb 0.32 0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.70 1ss3 h TYR 9 CO 0.02 -0.13 -0.16 0.22 -1.32 0.00 0.00 178.16 176.79 1ss3 h ASP 10 N -0.38 -0.38 -0.47 -2.11 3.58 -1.20 0.48 116.42 115.94 1ss3 h ASP 10 Ca -0.03 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 1ss3 h ASP 10 Cb 0.29 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1ss3 h ASP 10 CO 0.05 -0.21 0.15 0.74 -2.88 0.00 0.00 179.24 177.09 1ss3 h THR 11 N -0.52 1.22 -0.30 2.25 2.02 -0.80 -1.81 112.91 114.96 1ss3 h THR 11 Ca -0.05 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.43 1ss3 h THR 11 Cb 0.39 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1ss3 h THR 11 CO 0.08 0.27 0.09 0.00 0.37 0.00 0.00 175.52 176.32 1ss3 h HIS 13 N 0.21 0.85 0.36 0.00 6.17 -0.14 0.60 115.15 123.20 1ss3 h HIS 13 Ca 0.14 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.23 1ss3 h HIS 13 Cb 0.13 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 29.78 1ss3 h HIS 13 CO -0.15 0.27 -0.29 -0.22 0.71 0.00 0.00 177.93 178.25 1ss3 h LYS 14 N 0.68 -0.60 0.00 5.26 3.64 -0.49 0.13 116.57 125.18 1ss3 h LYS 14 Ca 0.49 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 1ss3 h LYS 14 Cb 0.84 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1ss3 h LYS 14 CO -0.25 -0.40 0.00 -1.91 -2.27 0.00 0.00 179.45 174.62 1ss3 n GLU 15 N -4.12 0.04 -0.06 1.90 2.13 -0.81 -2.68 120.64 117.04 1ss3 n GLU 15 Ca -0.08 0.30 -0.03 0.00 0.66 0.00 0.00 57.16 58.02 1ss3 n GLU 15 Cb 0.28 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.48 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 -1.00 0.00 -0.93 0.00 0.87 -0.73 0.18 113.55 111.93 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 0.28 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.16 1ss3 h SER 17 CO 0.00 0.00 0.60 -0.78 -0.53 0.00 0.00 176.83 176.12 1ss3 h ASP 18 N 0.00 0.54 0.00 6.23 3.58 -1.63 0.59 116.42 125.73 1ss3 h ASP 18 Ca 0.17 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1ss3 h ASP 18 Cb 1.04 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1ss3 h ASP 18 CO -0.00 0.21 0.01 0.29 -2.88 0.00 0.00 179.24 176.88 1ss3 n LYS 19 N -4.58 0.04 -0.93 0.28 4.76 0.05 -4.79 118.16 112.99 1ss3 n LYS 19 Ca 0.20 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 1ss3 n LYS 19 Cb 0.65 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.43 0.63 3.69 0.72 0.00 0.20 -5.04 105.19 103.96 1ss3 n GLY 20 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ss3 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ss3 s ASN 21 N -2.23 1.65 0.33 1.61 2.20 -1.25 -5.06 114.94 112.19 1ss3 s ASN 21 Ca 0.00 0.59 -0.15 0.00 -0.94 0.00 0.00 52.86 52.35 1ss3 s ASN 21 Cb 0.00 -0.82 -0.09 0.00 -2.00 0.00 0.00 41.25 38.34 1ss3 s ASN 21 CO 0.00 -3.67 0.75 -0.83 -2.94 0.00 0.00 177.10 170.41 1ss3 s GLY 22 N -4.12 2.35 0.25 0.45 0.00 -1.26 -4.78 107.32 100.21 1ss3 s GLY 22 Ca 0.71 0.07 -0.03 0.00 0.00 0.00 0.00 44.72 45.47 1ss3 s GLY 22 CO 0.55 0.28 1.74 0.27 0.00 0.00 0.00 173.10 175.95 1ss3 h PHE 23 N 2.27 0.62 0.97 1.90 -0.00 -1.97 -0.16 116.94 120.57 1ss3 h PHE 23 Ca -0.48 0.03 -0.05 0.00 -0.00 0.00 0.00 57.97 57.48 1ss3 h PHE 23 Cb 1.18 -0.15 0.01 0.00 -0.00 0.00 0.00 35.95 36.98 1ss3 h PHE 23 CO 0.62 0.11 -0.47 1.15 -0.00 0.00 0.00 178.31 179.73 1ss3 h THR 24 N 0.52 0.00 -0.98 0.88 2.02 -1.98 0.40 112.91 113.77 1ss3 h THR 24 Ca 0.43 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 67.68 1ss3 h THR 24 Cb 0.63 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 1ss3 h THR 24 CO -0.38 0.00 0.63 0.15 0.37 0.00 0.00 175.52 176.28 1ss3 h PHE 25 N -1.32 1.12 -0.29 3.16 3.57 -1.94 0.28 116.94 121.52 1ss3 h PHE 25 Ca -0.13 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 1ss3 h PHE 25 Cb 1.00 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1ss3 h PHE 25 CO 0.01 0.53 0.01 0.00 -2.23 0.00 0.00 178.31 176.63 1ss3 h GLU 27 N 0.43 -0.68 -0.07 0.00 5.08 0.19 0.42 114.58 119.95 1ss3 h GLU 27 Ca 0.10 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1ss3 h GLU 27 Cb 0.26 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ss3 h GLU 27 CO 0.01 -0.45 0.23 1.98 -1.00 0.00 0.00 179.01 179.77 1ss3 h MET 28 N -0.88 0.00 0.00 2.33 4.05 -1.35 0.64 114.93 119.72 1ss3 h MET 28 Ca -0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1ss3 h MET 28 Cb 0.54 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1ss3 h MET 28 CO 0.12 0.00 -0.24 -0.22 0.23 0.00 0.00 176.91 176.80 1ss3 h LYS 29 N 0.00 0.00 -1.42 0.39 1.63 -1.26 -3.31 116.57 112.60 1ss3 h LYS 29 Ca 0.03 0.00 0.41 0.00 -0.85 0.00 0.00 60.65 60.24 1ss3 h LYS 29 Cb 0.49 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.06 1ss3 h LYS 29 CO -0.00 0.00 1.04 0.00 -3.45 0.00 0.00 179.45 177.04 1ss3 h ASP 31 N 0.00 -0.46 0.92 0.00 1.82 -1.05 -3.07 116.42 114.58 1ss3 h ASP 31 Ca 0.67 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.33 1ss3 h ASP 31 Cb 2.75 0.13 0.00 0.00 0.68 0.00 0.00 39.33 42.88 1ss3 h ASP 31 CO -0.01 -0.31 0.00 0.41 -1.61 0.00 0.00 179.24 177.73 1ss3 n THR 32 N -3.43 0.77 0.00 2.25 -1.04 -0.10 -1.93 114.28 110.80 1ss3 n THR 32 Ca -0.06 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1ss3 n THR 32 Cb 0.20 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1ss3 n THR 32 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ss3 n ASP 33 N -2.26 0.00 0.26 8.00 -0.08 0.21 -2.56 116.55 120.11 1ss3 n ASP 33 Ca 0.03 0.90 0.14 0.00 -1.51 0.00 0.00 54.79 54.35 1ss3 n ASP 33 Cb 0.28 -0.41 0.60 0.00 2.34 0.00 0.00 41.12 43.94 1ss3 n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ss3 n SER 35 N -3.22 5.64 -3.41 0.00 2.88 -0.81 -5.05 113.62 109.64 1ss3 n SER 35 Ca 0.00 -3.38 -0.25 0.00 -1.33 0.00 0.00 58.87 53.92 1ss3 n SER 35 Cb 0.35 -1.13 0.20 0.00 -0.75 0.00 0.00 64.21 62.88 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 1.35 0.00 -3.80 2.46 0.31 -1.06 -4.34 118.33 113.25 1ss3 n VAL 36 Ca 0.26 -0.48 -0.20 0.00 -0.01 0.00 0.00 64.34 63.91 1ss3 n VAL 36 Cb 0.35 -1.28 -0.17 0.00 -0.91 0.00 0.00 33.84 31.83 1ss3 n VAL 36 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ss3 s LYS 37 N -5.12 0.29 0.34 5.55 3.01 -1.26 -5.07 119.74 117.48 1ss3 s LYS 37 Ca 0.59 0.18 -0.29 0.00 -1.01 0.00 0.00 55.97 55.44 1ss3 s LYS 37 Cb -0.05 -0.65 -0.11 0.00 -1.01 0.00 0.00 37.83 36.01 1ss3 s LYS 37 CO 0.45 -0.25 1.50 0.34 0.51 0.00 0.00 175.35 177.90 1ss3 s ASP 38 N 1.67 6.40 -0.43 2.83 2.15 -1.26 -4.97 116.67 123.06 1ss3 s ASP 38 Ca -0.01 2.98 0.08 0.00 0.43 0.00 0.00 52.55 56.03 1ss3 s ASP 38 Cb -0.13 -2.66 0.27 0.00 -0.30 0.00 0.00 42.92 40.11 1ss3 s ASP 38 CO -0.03 -0.85 0.60 0.52 -0.17 0.00 0.00 175.17 175.24 1ss3 n VAL 39 N 1.05 -0.02 -1.52 1.11 0.31 -1.26 -5.11 118.33 112.89 1ss3 n VAL 39 Ca 0.03 -4.34 -0.47 0.00 -0.01 0.00 0.00 64.34 59.56 1ss3 n VAL 39 Cb 0.39 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.57 1ss3 n VAL 39 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ss3 n LYS 40 N 1.10 0.82 -0.73 5.55 5.02 -1.26 -4.90 118.16 123.76 1ss3 n LYS 40 Ca 0.23 0.29 -0.32 0.00 -2.02 0.00 0.00 58.31 56.49 1ss3 n LYS 40 Cb 0.53 -1.55 0.15 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.95 -0.66 -2.62 1.97 -0.58 -1.26 -4.84 120.64 113.60 1ss3 n GLU 41 Ca 0.13 -0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.30 1ss3 n GLU 41 Cb 0.28 -1.94 -0.02 0.00 -0.57 0.00 0.00 31.44 29.18 1ss3 n GLU 41 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1ss3 s LYS 42 N -3.83 3.70 0.88 3.49 2.20 -1.26 -4.98 119.74 119.95 1ss3 s LYS 42 Ca 0.59 -1.46 -0.15 0.00 -0.36 0.00 0.00 55.97 54.60 1ss3 s LYS 42 Cb -0.20 -5.34 -0.03 0.00 -1.51 0.00 0.00 37.83 30.75 1ss3 s LYS 42 CO 0.65 -2.16 0.16 1.28 -0.36 0.00 0.00 175.35 174.93 1ss3 n LEU 43 N 8.38 -1.30 -4.59 5.43 4.77 -1.26 -5.02 117.00 123.41 1ss3 n LEU 43 Ca 0.36 0.38 -0.24 0.00 -0.03 0.00 0.00 56.01 56.48 1ss3 n LEU 43 Cb 0.49 -1.10 -0.09 0.00 -2.33 0.00 0.00 43.42 40.39 1ss3 n LEU 43 CO 0.67 -4.05 -0.35 -1.61 -1.33 0.00 0.00 177.39 170.71 1ss3 s GLU 44 N -2.95 1.98 0.26 3.23 2.02 -1.26 -5.15 118.70 116.83 1ss3 s GLU 44 Ca 0.56 -1.74 0.03 0.00 0.02 0.00 0.00 54.97 53.83 1ss3 s GLU 44 Cb -0.25 -1.89 -0.05 0.00 0.10 0.00 0.00 34.13 32.03 1ss3 s GLU 44 CO 0.68 0.21 0.05 -0.80 0.02 0.00 0.00 175.26 175.41 1ss3 s ASN 45 N -3.65 1.70 0.20 -0.19 -0.87 -1.26 -5.17 114.94 105.69 1ss3 s ASN 45 Ca 0.33 -1.31 0.05 0.00 -1.57 0.00 0.00 52.86 50.36 1ss3 s ASN 45 Cb -0.01 0.05 -0.05 0.00 -0.02 0.00 0.00 41.25 41.21 1ss3 s ASN 45 CO 0.18 -0.61 -0.07 -0.47 -2.57 0.00 0.00 177.10 173.56 1ss3 s TYR 46 N -3.52 1.51 -0.46 2.20 5.04 -1.26 -5.12 117.35 115.74 1ss3 s TYR 46 Ca 0.33 -0.79 0.06 0.00 -2.44 0.00 0.00 57.07 54.23 1ss3 s TYR 46 Cb 0.07 -0.81 0.18 0.00 0.35 0.00 0.00 41.96 41.75 1ss3 s TYR 46 CO 0.12 0.10 0.54 0.21 -1.34 0.00 0.00 175.55 175.18 1ss3 s LYS 47 N -3.77 0.97 0.30 4.97 2.20 -1.26 -5.14 119.74 118.01 1ss3 s LYS 47 Ca 0.23 -1.46 -0.29 0.00 -0.36 0.00 0.00 55.97 54.10 1ss3 s LYS 47 Cb 0.03 -0.65 -0.10 0.00 -1.51 0.00 0.00 37.83 35.61 1ss3 s LYS 47 CO 0.06 -1.34 1.34 -1.25 -0.36 0.00 0.00 175.35 173.80 1ss3 s PRO 48 N 0.61 4.33 0.03 4.03 0.04 -1.26 -4.96 135.00 137.83 1ss3 s PRO 48 Ca 0.30 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 63.46 1ss3 s PRO 48 Cb 0.00 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1ss3 s PRO 48 CO -0.11 -0.25 1.17 -0.22 0.04 0.00 0.00 177.00 177.63 1ss3 h LYS 49 N 3.89 -0.20 0.00 4.56 3.11 -2.09 -3.58 116.57 122.26 1ss3 h LYS 49 Ca -0.48 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 1ss3 h LYS 49 Cb 1.22 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 1ss3 h LYS 49 CO 0.69 -0.13 0.00 0.09 -2.81 0.00 0.00 179.45 177.29