#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 -0.08 -1.24 4.71 -1.26 -3.66 120.64 119.12 1ss3 n GLU 2 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 1ss3 n GLU 2 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1ss3 n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ss3 h ALA 3 N -0.63 0.30 -1.05 0.62 0.00 -2.05 0.37 119.26 116.83 1ss3 h ALA 3 Ca 0.00 0.05 0.28 0.00 0.00 0.00 0.00 54.91 55.24 1ss3 h ALA 3 Cb 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1ss3 h ALA 3 CO 0.00 -0.35 0.71 0.37 0.00 0.00 0.00 179.25 179.98 1ss3 h GLN 4 N 0.17 0.20 0.16 0.00 -0.00 -2.01 0.20 115.11 113.83 1ss3 h GLN 4 Ca 0.13 -0.01 -0.36 0.00 -0.00 0.00 0.00 58.65 58.41 1ss3 h GLN 4 Cb 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.57 1ss3 h GLN 4 CO -0.17 0.13 -1.85 0.35 0.00 0.00 0.00 178.83 177.29 1ss3 h PHE 5 N 0.20 0.62 -0.65 3.99 3.57 -1.60 -3.25 116.94 119.83 1ss3 h PHE 5 Ca 0.54 -0.45 0.13 0.00 3.53 0.00 0.00 57.97 61.72 1ss3 h PHE 5 Cb 1.74 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 40.42 1ss3 h PHE 5 CO -0.00 1.72 0.44 -0.22 -2.23 0.00 0.00 178.31 178.02 1ss3 h LYS 6 N 0.09 0.31 -0.20 1.11 3.64 0.16 0.51 116.57 122.19 1ss3 h LYS 6 Ca -0.38 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 58.86 1ss3 h LYS 6 Cb 2.07 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 1ss3 h LYS 6 CO 0.14 0.20 -0.38 1.49 -2.27 0.00 0.00 179.45 178.64 1ss3 h GLU 7 N 0.32 0.61 -0.38 1.90 4.81 -1.23 -1.23 114.58 119.38 1ss3 h GLU 7 Ca 0.31 -0.39 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1ss3 h GLU 7 Cb 0.79 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1ss3 h GLU 7 CO -0.08 1.00 0.05 0.00 -0.73 0.00 0.00 179.01 179.25 1ss3 h TYR 9 N 0.48 -0.33 0.07 0.00 5.03 -0.17 0.66 116.97 122.71 1ss3 h TYR 9 Ca 0.11 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 1ss3 h TYR 9 Cb 0.39 0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.78 1ss3 h TYR 9 CO 0.03 -0.15 -0.04 0.22 -1.32 0.00 0.00 178.16 176.90 1ss3 h ASP 10 N -0.43 -0.09 -0.36 -2.11 3.58 -1.19 0.17 116.42 115.99 1ss3 h ASP 10 Ca -0.04 -0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.28 1ss3 h ASP 10 Cb 0.33 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1ss3 h ASP 10 CO 0.06 0.01 -0.03 0.74 -2.88 0.00 0.00 179.24 177.14 1ss3 h THR 11 N -0.18 1.27 -0.31 2.25 2.02 -0.82 -1.96 112.91 115.18 1ss3 h THR 11 Ca -0.01 -1.05 0.03 0.00 0.77 0.00 0.00 66.41 66.15 1ss3 h THR 11 Cb 0.15 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1ss3 h THR 11 CO 0.02 0.35 0.14 0.00 0.37 0.00 0.00 175.52 176.39 1ss3 h HIS 13 N 0.29 0.69 0.03 0.00 6.17 -0.30 0.59 115.15 122.62 1ss3 h HIS 13 Ca 0.13 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.23 1ss3 h HIS 13 Cb 0.07 -0.22 -0.00 0.00 2.52 0.00 0.00 27.41 29.79 1ss3 h HIS 13 CO -0.11 0.23 -0.02 0.87 0.71 0.00 0.00 177.93 179.61 1ss3 h LYS 14 N 0.57 -0.04 0.00 5.26 6.56 -0.59 0.24 116.57 128.56 1ss3 h LYS 14 Ca 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.04 1ss3 h LYS 14 Cb 0.88 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.55 1ss3 h LYS 14 CO -0.19 -0.03 0.06 1.49 -2.06 0.00 0.00 179.45 178.72 1ss3 h GLU 15 N -0.05 0.00 0.03 3.15 4.22 -1.18 -1.51 114.58 119.24 1ss3 h GLU 15 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1ss3 h GLU 15 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ss3 h GLU 15 CO 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 179.01 176.82 1ss3 h SER 17 N -0.71 0.00 -0.96 0.00 0.87 -0.42 -0.21 113.55 112.12 1ss3 h SER 17 Ca -0.00 0.00 0.21 0.00 -1.23 0.00 0.00 61.79 60.76 1ss3 h SER 17 Cb 0.03 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.91 1ss3 h SER 17 CO 0.01 0.00 0.62 -0.78 -0.53 0.00 0.00 176.83 176.14 1ss3 h ASP 18 N 0.00 0.54 0.01 6.23 1.82 -1.35 0.78 116.42 124.45 1ss3 h ASP 18 Ca 0.08 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1ss3 h ASP 18 Cb 0.56 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.54 1ss3 h ASP 18 CO -0.00 0.20 0.00 0.29 -1.61 0.00 0.00 179.24 178.12 1ss3 n LYS 19 N -4.60 0.03 -1.00 0.28 4.76 -0.09 -4.79 118.16 112.74 1ss3 n LYS 19 Ca 0.21 0.52 -0.00 0.00 -2.87 0.00 0.00 58.31 56.17 1ss3 n LYS 19 Cb 0.68 -1.58 -0.00 0.00 -1.84 0.00 0.00 35.03 32.28 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 -1.44 0.42 3.87 0.72 0.00 0.27 -5.05 105.19 103.99 1ss3 n GLY 20 Ca -0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.69 3.16 0.46 1.61 0.01 -1.25 -5.06 114.94 111.18 1ss3 s ASN 21 Ca 0.00 0.48 -0.22 0.00 -0.71 0.00 0.00 52.86 52.41 1ss3 s ASN 21 Cb 0.00 -0.68 -0.09 0.00 0.41 0.00 0.00 41.25 40.89 1ss3 s ASN 21 CO 0.00 -2.73 1.04 -0.83 -1.51 0.00 0.00 177.10 173.08 1ss3 s GLY 22 N -4.63 2.59 0.10 0.66 0.00 -1.26 -4.82 107.32 99.96 1ss3 s GLY 22 Ca 0.70 0.65 -0.32 0.00 0.00 0.00 0.00 44.72 45.75 1ss3 s GLY 22 CO 0.53 1.00 1.60 0.74 0.00 0.00 0.00 173.10 176.97 1ss3 h PHE 23 N 1.89 -1.06 -0.13 1.90 0.04 -1.97 0.22 116.94 117.83 1ss3 h PHE 23 Ca -0.49 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.33 1ss3 h PHE 23 Cb 1.22 0.42 -0.07 0.00 2.20 0.00 0.00 35.95 39.72 1ss3 h PHE 23 CO 0.57 -0.53 -0.42 1.15 -0.60 0.00 0.00 178.31 178.48 1ss3 h THR 24 N -0.76 0.14 -0.35 -1.55 2.02 -1.98 0.47 112.91 110.90 1ss3 h THR 24 Ca -0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.23 1ss3 h THR 24 Cb 0.70 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 1ss3 h THR 24 CO -0.10 0.00 -0.02 0.15 0.37 0.00 0.00 175.52 175.92 1ss3 h PHE 25 N -0.49 -0.06 -0.57 3.16 3.57 -1.94 0.19 116.94 120.80 1ss3 h PHE 25 Ca 0.08 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1ss3 h PHE 25 Cb 0.63 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1ss3 h PHE 25 CO -0.49 -0.09 0.38 0.00 -2.23 0.00 0.00 178.31 175.88 1ss3 h GLU 27 N 0.69 -0.31 -0.85 0.00 5.08 0.15 0.29 114.58 119.64 1ss3 h GLU 27 Ca 0.22 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.85 1ss3 h GLU 27 Cb 0.04 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1ss3 h GLU 27 CO -0.06 -0.21 0.72 0.52 -1.00 0.00 0.00 179.01 178.99 1ss3 h MET 28 N -0.47 0.00 0.00 2.33 2.86 -0.70 0.21 114.93 119.16 1ss3 h MET 28 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1ss3 h MET 28 Cb 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1ss3 h MET 28 CO 0.05 0.00 -0.14 -0.22 1.06 0.00 0.00 176.91 177.66 1ss3 h LYS 29 N 0.00 0.00 -1.20 1.72 3.11 -1.19 -3.28 116.57 115.73 1ss3 h LYS 29 Ca 0.40 0.00 0.35 0.00 -2.81 0.00 0.00 60.65 58.59 1ss3 h LYS 29 Cb 1.84 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 33.02 1ss3 h LYS 29 CO -0.00 0.04 0.95 0.00 -2.81 0.00 0.00 179.45 177.63 1ss3 h ASP 31 N 0.00 -0.59 1.07 0.00 3.58 -0.78 -3.11 116.42 116.59 1ss3 h ASP 31 Ca 0.57 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.04 1ss3 h ASP 31 Cb 2.47 0.15 0.00 0.00 1.72 0.00 0.00 39.33 43.68 1ss3 h ASP 31 CO -0.01 -0.41 0.00 0.74 -2.88 0.00 0.00 179.24 176.69 1ss3 h THR 32 N -0.73 0.00 0.00 2.25 2.02 -1.18 -0.37 112.91 114.90 1ss3 h THR 32 Ca -0.07 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1ss3 h THR 32 Cb 0.54 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1ss3 h THR 32 CO 0.12 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 175.34 1ss3 n ASP 33 N -3.02 0.00 -0.08 4.18 -0.08 0.21 -3.54 116.55 114.22 1ss3 n ASP 33 Ca 0.01 0.86 -0.12 0.00 -1.51 0.00 0.00 54.79 54.03 1ss3 n ASP 33 Cb 0.32 -0.36 -0.05 0.00 2.34 0.00 0.00 41.12 43.37 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 -4.60 0.00 -3.05 0.00 2.88 -1.02 -5.14 113.62 102.70 1ss3 n SER 35 Ca -0.04 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.45 1ss3 n SER 35 Cb 0.28 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.78 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 0.00 0.00 -3.66 2.46 3.14 -0.18 -4.77 118.33 115.33 1ss3 n VAL 36 Ca 0.00 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.33 1ss3 n VAL 36 Cb 0.00 -0.15 -0.07 0.00 -1.06 0.00 0.00 33.84 32.56 1ss3 n VAL 36 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1ss3 s LYS 37 N -3.02 0.46 -0.04 1.45 2.20 -1.26 -4.99 119.74 114.54 1ss3 s LYS 37 Ca 0.10 1.22 -0.00 0.00 -0.36 0.00 0.00 55.97 56.93 1ss3 s LYS 37 Cb -0.02 0.55 0.03 0.00 -1.51 0.00 0.00 37.83 36.88 1ss3 s LYS 37 CO 0.08 -0.22 0.02 0.34 -0.36 0.00 0.00 175.35 175.22 1ss3 s ASP 38 N 2.64 0.68 -0.46 1.43 2.15 -1.26 -5.08 116.67 116.78 1ss3 s ASP 38 Ca -0.04 0.00 0.05 0.00 0.43 0.00 0.00 52.55 52.99 1ss3 s ASP 38 Cb -0.11 -0.20 0.18 0.00 -0.30 0.00 0.00 42.92 42.48 1ss3 s ASP 38 CO -0.16 -0.15 0.52 -0.69 -0.17 0.00 0.00 175.17 174.52 1ss3 s VAL 39 N 1.42 -0.35 0.00 1.11 1.01 -1.26 -5.08 120.40 117.25 1ss3 s VAL 39 Ca -0.04 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1ss3 s VAL 39 Cb -0.13 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1ss3 s VAL 39 CO -0.03 -0.60 0.39 0.29 0.00 0.00 0.00 175.10 175.15 1ss3 n LYS 40 N 3.05 0.00 -3.49 2.72 5.02 -1.26 -4.95 118.16 119.25 1ss3 n LYS 40 Ca 0.22 0.20 -0.15 0.00 -2.02 0.00 0.00 58.31 56.57 1ss3 n LYS 40 Cb 0.51 -0.89 -0.04 0.00 -0.02 0.00 0.00 35.03 34.59 1ss3 n LYS 40 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ss3 s GLU 41 N -0.78 1.15 -1.24 1.97 2.12 -1.26 -5.05 118.70 115.60 1ss3 s GLU 41 Ca 0.00 -0.16 -0.05 0.00 0.36 0.00 0.00 54.97 55.11 1ss3 s GLU 41 Cb 0.00 0.53 0.18 0.00 0.26 0.00 0.00 34.13 35.10 1ss3 s GLU 41 CO 0.00 -0.44 2.12 1.17 -0.54 0.00 0.00 175.26 177.57 1ss3 n LYS 42 N 0.25 4.59 -1.53 4.30 4.81 -1.26 -5.00 118.16 124.31 1ss3 n LYS 42 Ca -0.18 -3.79 -0.47 0.00 -0.87 0.00 0.00 58.31 53.00 1ss3 n LYS 42 Cb 0.61 -2.64 -0.03 0.00 0.02 0.00 0.00 35.03 32.99 1ss3 n LYS 42 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1ss3 n LEU 43 N 1.72 0.79 -3.61 3.14 -0.00 -1.26 -4.97 117.00 112.81 1ss3 n LEU 43 Ca 0.53 1.16 -0.04 0.00 -0.00 0.00 0.00 56.01 57.65 1ss3 n LEU 43 Cb 0.28 -1.16 -0.03 0.00 -0.00 0.00 0.00 43.42 42.50 1ss3 n LEU 43 CO 0.68 -1.86 1.03 -0.70 -0.00 0.00 0.00 177.39 176.53 1ss3 s GLU 44 N -1.10 0.26 0.57 1.47 2.56 -1.26 -5.15 118.70 116.05 1ss3 s GLU 44 Ca 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 54.97 55.58 1ss3 s GLU 44 Cb -0.82 0.12 0.00 0.00 2.00 0.00 0.00 34.13 35.43 1ss3 s GLU 44 CO 0.57 -0.10 0.00 0.09 -0.56 0.00 0.00 175.26 175.26 1ss3 n ASN 45 N 0.21 -8.41 -3.15 -1.70 3.02 -1.26 -5.06 115.26 98.91 1ss3 n ASN 45 Ca -0.01 1.70 0.05 0.00 -0.03 0.00 0.00 54.58 56.29 1ss3 n ASN 45 Cb 0.58 -5.09 -0.00 0.00 -0.61 0.00 0.00 39.78 34.66 1ss3 n ASN 45 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1ss3 s TYR 46 N -4.93 -0.81 -0.45 3.10 1.13 -1.26 -5.08 117.35 109.06 1ss3 s TYR 46 Ca 0.00 0.50 0.04 0.00 -1.41 0.00 0.00 57.07 56.19 1ss3 s TYR 46 Cb 0.00 0.15 0.24 0.00 -1.10 0.00 0.00 41.96 41.25 1ss3 s TYR 46 CO 0.00 -0.47 0.97 1.17 -2.51 0.00 0.00 175.55 174.71 1ss3 n LYS 47 N 5.20 0.58 -2.01 -3.49 4.81 -1.26 -5.14 118.16 116.86 1ss3 n LYS 47 Ca 0.07 -1.47 -0.41 0.00 -0.87 0.00 0.00 58.31 55.63 1ss3 n LYS 47 Cb 0.57 -1.11 -0.02 0.00 0.02 0.00 0.00 35.03 34.48 1ss3 n LYS 47 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ss3 s PRO 48 N 0.57 4.26 0.81 1.64 0.04 -1.26 -4.98 135.00 136.09 1ss3 s PRO 48 Ca 0.30 2.29 -0.15 0.00 0.04 0.00 0.00 61.00 63.49 1ss3 s PRO 48 Cb 0.20 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.63 1ss3 s PRO 48 CO -0.19 -0.44 0.63 1.17 0.04 0.00 0.00 177.00 178.20 1ss3 n LYS 49 N 2.64 0.11 0.00 4.56 4.81 -1.26 -5.36 118.16 123.65 1ss3 n LYS 49 Ca 0.08 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1ss3 n LYS 49 Cb 0.40 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.49 1ss3 n LYS 49 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86