#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 -0.09 0.11 4.71 -1.26 -4.33 120.64 119.79 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 0.00 0.37 -1.17 0.62 0.00 -2.05 0.11 119.26 117.14 1ss3 h ALA 3 Ca 0.00 0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.27 1ss3 h ALA 3 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1ss3 h ALA 3 CO 0.00 -0.26 0.83 0.37 0.00 0.00 0.00 179.25 180.19 1ss3 h GLN 4 N 0.28 0.05 0.09 0.00 -0.00 -2.00 0.30 115.11 113.83 1ss3 h GLN 4 Ca 0.13 -0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.53 1ss3 h GLN 4 Cb 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.54 1ss3 h GLN 4 CO -0.12 0.03 -1.29 0.35 0.00 0.00 0.00 178.83 177.81 1ss3 h PHE 5 N 0.05 0.34 -0.41 3.99 3.04 -1.65 -3.16 116.94 119.13 1ss3 h PHE 5 Ca 0.57 -0.25 0.12 0.00 3.98 0.00 0.00 57.97 62.39 1ss3 h PHE 5 Cb 2.18 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 40.66 1ss3 h PHE 5 CO -0.00 1.50 0.32 0.87 -2.02 0.00 0.00 178.31 178.99 1ss3 h LYS 6 N -0.46 0.00 0.11 1.11 1.57 0.18 0.36 116.57 119.45 1ss3 h LYS 6 Ca -0.29 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.21 1ss3 h LYS 6 Cb 1.64 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.96 1ss3 h LYS 6 CO 0.01 0.00 -1.20 0.93 -0.57 0.00 0.00 179.45 178.62 1ss3 h GLU 7 N 0.00 0.42 -0.27 3.15 5.08 -0.70 -1.91 114.58 120.35 1ss3 h GLU 7 Ca 0.19 -0.61 -0.12 0.00 -1.00 0.00 0.00 59.36 57.83 1ss3 h GLU 7 Cb 0.84 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1ss3 h GLU 7 CO -0.00 1.26 -0.30 0.00 -1.00 0.00 0.00 179.01 178.97 1ss3 h TYR 9 N 0.41 -0.22 0.20 0.00 5.03 -0.48 0.68 116.97 122.59 1ss3 h TYR 9 Ca 0.04 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1ss3 h TYR 9 Cb 0.87 0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.22 1ss3 h TYR 9 CO 0.07 -0.02 -0.10 0.22 -1.32 0.00 0.00 178.16 177.01 1ss3 h ASP 10 N -0.39 -0.23 -0.35 -2.11 3.58 -1.38 0.19 116.42 115.73 1ss3 h ASP 10 Ca -0.02 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 1ss3 h ASP 10 Cb 0.30 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1ss3 h ASP 10 CO 0.04 -0.10 0.07 0.74 -2.88 0.00 0.00 179.24 177.11 1ss3 h THR 11 N -0.35 1.23 -0.54 2.25 2.02 -1.04 -1.90 112.91 114.59 1ss3 h THR 11 Ca -0.03 -0.79 0.04 0.00 0.77 0.00 0.00 66.41 66.41 1ss3 h THR 11 Cb 0.27 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 1ss3 h THR 11 CO 0.05 0.27 0.28 0.00 0.37 0.00 0.00 175.52 176.49 1ss3 h HIS 13 N 0.55 1.06 0.01 0.00 6.17 -0.16 0.50 115.15 123.28 1ss3 h HIS 13 Ca 0.24 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.35 1ss3 h HIS 13 Cb 0.13 -0.34 -0.00 0.00 2.52 0.00 0.00 27.41 29.72 1ss3 h HIS 13 CO -0.09 0.41 -0.01 0.87 0.71 0.00 0.00 177.93 179.81 1ss3 h LYS 14 N 0.91 -0.02 0.00 5.26 1.57 -0.38 0.46 116.57 124.37 1ss3 h LYS 14 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1ss3 h LYS 14 Cb 0.56 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1ss3 h LYS 14 CO -0.25 -0.02 0.00 1.49 -0.57 0.00 0.00 179.45 180.11 1ss3 h GLU 15 N -0.02 0.00 0.00 3.15 4.81 -1.19 -0.03 114.58 121.29 1ss3 h GLU 15 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ss3 h GLU 15 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1ss3 h GLU 15 CO -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1ss3 h SER 17 N 0.00 0.00 -0.94 0.00 0.87 0.08 0.11 113.55 113.67 1ss3 h SER 17 Ca 0.00 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.76 1ss3 h SER 17 Cb 0.00 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.88 1ss3 h SER 17 CO 0.00 0.00 0.61 -0.78 -0.53 0.00 0.00 176.83 176.13 1ss3 h ASP 18 N 0.00 0.51 0.00 6.23 3.58 -1.11 0.24 116.42 125.87 1ss3 h ASP 18 Ca 0.14 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1ss3 h ASP 18 Cb 0.97 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1ss3 h ASP 18 CO -0.00 0.19 0.06 0.29 -2.88 0.00 0.00 179.24 176.90 1ss3 n LYS 19 N -4.58 0.09 -0.81 0.28 4.76 0.38 -4.77 118.16 113.52 1ss3 n LYS 19 Ca 0.21 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1ss3 n LYS 19 Cb 0.67 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 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 -1.34 0.52 3.89 0.72 0.00 0.83 -5.06 105.19 104.75 1ss3 n GLY 20 Ca -0.01 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.62 2.61 0.48 1.61 0.01 -1.24 -5.06 114.94 110.73 1ss3 s ASN 21 Ca 0.00 0.25 -0.20 0.00 -0.71 0.00 0.00 52.86 52.21 1ss3 s ASN 21 Cb 0.00 -0.27 -0.09 0.00 0.41 0.00 0.00 41.25 41.31 1ss3 s ASN 21 CO 0.00 -3.04 1.00 -0.83 -1.51 0.00 0.00 177.10 172.72 1ss3 s GLY 22 N -4.79 2.37 0.08 0.66 0.00 -1.26 -4.83 107.32 99.55 1ss3 s GLY 22 Ca 0.75 0.45 -0.33 0.00 0.00 0.00 0.00 44.72 45.59 1ss3 s GLY 22 CO 0.54 0.75 1.60 0.74 0.00 0.00 0.00 173.10 176.73 1ss3 h PHE 23 N 1.50 -1.04 -0.13 1.90 0.04 -1.97 0.12 116.94 117.36 1ss3 h PHE 23 Ca -0.49 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.31 1ss3 h PHE 23 Cb 1.20 0.38 -0.07 0.00 2.20 0.00 0.00 35.95 39.67 1ss3 h PHE 23 CO 0.60 -0.57 -0.51 1.15 -0.60 0.00 0.00 178.31 178.38 1ss3 h THR 24 N -0.90 0.04 -0.50 -1.55 2.02 -1.97 0.55 112.91 110.60 1ss3 h THR 24 Ca -0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.20 1ss3 h THR 24 Cb 0.75 0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 1ss3 h THR 24 CO 0.03 0.00 0.13 0.15 0.37 0.00 0.00 175.52 176.20 1ss3 h PHE 25 N -0.56 0.22 -0.71 3.16 3.57 -1.95 0.29 116.94 120.96 1ss3 h PHE 25 Ca 0.05 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1ss3 h PHE 25 Cb 0.67 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1ss3 h PHE 25 CO -0.56 0.03 0.47 0.00 -2.23 0.00 0.00 178.31 176.02 1ss3 h GLU 27 N 0.90 -0.21 -1.11 0.00 5.08 0.25 0.25 114.58 119.75 1ss3 h GLU 27 Ca 0.28 0.01 0.32 0.00 -1.00 0.00 0.00 59.36 58.97 1ss3 h GLU 27 Cb -0.01 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1ss3 h GLU 27 CO -0.07 -0.14 0.87 0.52 -1.00 0.00 0.00 179.01 179.19 1ss3 h MET 28 N -0.31 0.00 0.00 2.33 2.86 -0.54 0.34 114.93 119.62 1ss3 h MET 28 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ss3 h MET 28 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1ss3 h MET 28 CO 0.04 0.00 -0.00 -0.22 1.06 0.00 0.00 176.91 177.79 1ss3 h LYS 29 N 0.00 -0.00 -1.14 1.72 3.11 -1.20 -3.25 116.57 115.81 1ss3 h LYS 29 Ca 0.53 0.00 0.33 0.00 -2.81 0.00 0.00 60.65 58.70 1ss3 h LYS 29 Cb 2.26 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 33.45 1ss3 h LYS 29 CO -0.01 -0.00 1.00 0.00 -2.81 0.00 0.00 179.45 177.63 1ss3 h ASP 31 N 0.00 -0.85 0.99 0.00 1.82 -0.52 -2.73 116.42 115.14 1ss3 h ASP 31 Ca 0.54 0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 57.13 1ss3 h ASP 31 Cb 2.53 0.22 -0.01 0.00 0.68 0.00 0.00 39.33 42.75 1ss3 h ASP 31 CO -0.01 -0.60 -0.36 0.74 -1.61 0.00 0.00 179.24 177.41 1ss3 h THR 32 N -1.02 0.79 0.00 2.25 2.02 -1.11 -3.33 112.91 112.50 1ss3 h THR 32 Ca -0.10 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.53 1ss3 h THR 32 Cb 0.77 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1ss3 h THR 32 CO 0.17 0.35 0.00 -0.67 0.37 0.00 0.00 175.52 175.74 1ss3 n ASP 33 N -3.43 0.00 -4.40 4.18 2.03 0.18 -4.01 116.55 111.10 1ss3 n ASP 33 Ca 0.00 0.95 -0.45 0.00 0.52 0.00 0.00 54.79 55.81 1ss3 n ASP 33 Cb 0.53 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 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 3.42 -0.29 1.03 0.00 1.04 -1.26 -4.83 113.70 112.82 1ss3 s SER 35 Ca 0.20 0.40 -0.07 0.00 0.48 0.00 0.00 55.95 56.96 1ss3 s SER 35 Cb -0.15 1.33 0.09 0.00 0.10 0.00 0.00 66.02 67.39 1ss3 s SER 35 CO -0.00 -0.06 0.46 0.52 0.98 0.00 0.00 173.24 175.15 1ss3 n VAL 36 N 4.73 0.00 -4.08 5.02 0.31 -1.26 -5.03 118.33 118.02 1ss3 n VAL 36 Ca -0.08 -0.30 -0.14 0.00 -0.01 0.00 0.00 64.34 63.82 1ss3 n VAL 36 Cb 0.54 -1.55 -0.13 0.00 -0.91 0.00 0.00 33.84 31.80 1ss3 n VAL 36 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1ss3 s LYS 37 N -4.03 0.42 0.96 5.55 -2.85 -1.26 -5.14 119.74 113.38 1ss3 s LYS 37 Ca 0.28 -0.44 -0.11 0.00 -1.00 0.00 0.00 55.97 54.70 1ss3 s LYS 37 Cb -0.01 -0.28 0.13 0.00 -2.06 0.00 0.00 37.83 35.61 1ss3 s LYS 37 CO 0.20 0.06 0.92 -3.47 0.10 0.00 0.00 175.35 173.16 1ss3 n ASP 38 N 2.25 -0.52 -2.67 0.03 -0.08 -1.26 -4.95 116.55 109.34 1ss3 n ASP 38 Ca -0.18 0.33 -0.34 0.00 -1.51 0.00 0.00 54.79 53.10 1ss3 n ASP 38 Cb 0.57 -1.38 0.03 0.00 2.34 0.00 0.00 41.12 42.67 1ss3 n ASP 38 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1ss3 n VAL 39 N -4.17 3.08 0.00 5.18 3.14 -1.26 -4.82 118.33 119.49 1ss3 n VAL 39 Ca 0.10 -4.45 0.00 0.00 -2.96 0.00 0.00 64.34 57.03 1ss3 n VAL 39 Cb 0.53 -1.24 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 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 -0.55 0.00 -3.57 1.45 5.02 -1.26 -5.15 118.16 114.10 1ss3 n LYS 40 Ca 0.48 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.61 1ss3 n LYS 40 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.40 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 0.00 0.99 -1.46 1.97 2.12 -1.26 -5.06 118.70 116.00 1ss3 s GLU 41 Ca 0.00 0.14 -0.10 0.00 0.36 0.00 0.00 54.97 55.37 1ss3 s GLU 41 Cb 0.00 0.46 0.03 0.00 0.26 0.00 0.00 34.13 34.88 1ss3 s GLU 41 CO 0.00 -0.31 2.49 1.17 -0.54 0.00 0.00 175.26 178.08 1ss3 n LYS 42 N 0.94 3.72 -1.14 4.30 4.81 -1.26 -4.98 118.16 124.55 1ss3 n LYS 42 Ca -0.19 -2.80 -0.37 0.00 -0.87 0.00 0.00 58.31 54.08 1ss3 n LYS 42 Cb 0.57 -2.89 0.05 0.00 0.02 0.00 0.00 35.03 32.79 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 3.72 -2.23 -3.49 3.14 -0.00 -1.26 -4.98 117.00 111.91 1ss3 n LEU 43 Ca 0.63 0.47 -0.28 0.00 -0.00 0.00 0.00 56.01 56.83 1ss3 n LEU 43 Cb 0.29 -1.00 -0.11 0.00 -0.00 0.00 0.00 43.42 42.59 1ss3 n LEU 43 CO 0.82 -4.36 -0.29 -0.70 -0.00 0.00 0.00 177.39 172.85 1ss3 s GLU 44 N -2.19 0.90 1.11 1.47 2.56 -1.26 -5.12 118.70 116.17 1ss3 s GLU 44 Ca 0.56 -1.85 -0.19 0.00 0.00 0.00 0.00 54.97 53.48 1ss3 s GLU 44 Cb -0.33 -1.61 0.08 0.00 2.00 0.00 0.00 34.13 34.27 1ss3 s GLU 44 CO 0.68 -1.28 -0.09 0.09 -0.56 0.00 0.00 175.26 174.09 1ss3 n ASN 45 N 3.37 -2.41 -3.96 -1.70 3.02 -1.26 -5.04 115.26 107.28 1ss3 n ASN 45 Ca 0.19 -0.11 -0.09 0.00 -0.03 0.00 0.00 54.58 54.54 1ss3 n ASN 45 Cb 0.41 -0.93 -0.11 0.00 -0.61 0.00 0.00 39.78 38.54 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 -2.22 0.21 -0.51 3.10 1.13 -1.26 -5.10 117.35 112.70 1ss3 s TYR 46 Ca 0.55 -0.44 0.03 0.00 -1.41 0.00 0.00 57.07 55.80 1ss3 s TYR 46 Cb -0.10 -0.16 0.15 0.00 -1.10 0.00 0.00 41.96 40.75 1ss3 s TYR 46 CO 0.66 -0.18 0.34 0.21 -2.51 0.00 0.00 175.55 174.07 1ss3 s LYS 47 N -1.32 1.53 0.37 -3.49 2.36 -1.26 -5.11 119.74 112.83 1ss3 s LYS 47 Ca -0.14 -2.42 -0.26 0.00 -2.55 0.00 0.00 55.97 50.60 1ss3 s LYS 47 Cb -0.09 -2.42 -0.09 0.00 -1.05 0.00 0.00 37.83 34.18 1ss3 s LYS 47 CO -0.01 -1.25 1.15 -1.25 1.55 0.00 0.00 175.35 175.54 1ss3 s PRO 48 N -0.24 4.19 0.00 4.03 0.04 -1.26 -4.99 135.00 136.78 1ss3 s PRO 48 Ca 0.24 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1ss3 s PRO 48 Cb -0.12 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1ss3 s PRO 48 CO -0.10 -0.19 0.62 1.63 0.04 0.00 0.00 177.00 179.00 1ss3 n LYS 49 N 0.29 0.00 0.00 4.56 5.02 -1.26 -5.36 118.16 121.41 1ss3 n LYS 49 Ca 0.03 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1ss3 n LYS 49 Cb 0.46 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1ss3 n LYS 49 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15