#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 2.56 0.00 -1.24 4.04 -1.26 -4.84 118.70 117.96 1ss3 s GLU 2 Ca 0.00 -0.72 0.00 0.00 0.04 0.00 0.00 54.97 54.29 1ss3 s GLU 2 Cb 0.00 -2.35 0.00 0.00 0.02 0.00 0.00 34.13 31.80 1ss3 s GLU 2 CO 0.00 -0.25 0.00 0.00 -1.84 0.00 0.00 175.26 173.17 1ss3 n ALA 3 N 4.69 0.00 -0.22 -0.84 0.00 -1.26 -4.88 120.51 118.01 1ss3 n ALA 3 Ca -0.18 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.57 1ss3 n ALA 3 Cb 0.49 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.68 1ss3 n ALA 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1ss3 h GLN 4 N 0.00 0.00 0.04 0.00 3.07 -1.99 0.20 115.11 116.42 1ss3 h GLN 4 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 1ss3 h GLN 4 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1ss3 h GLN 4 CO 0.00 0.00 -0.67 0.35 0.09 0.00 0.00 178.83 178.60 1ss3 h PHE 5 N 0.00 0.15 -0.40 0.06 3.04 -1.91 -2.85 116.94 115.03 1ss3 h PHE 5 Ca 0.47 -0.11 0.11 0.00 3.98 0.00 0.00 57.97 62.42 1ss3 h PHE 5 Cb 1.94 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 40.43 1ss3 h PHE 5 CO 0.00 1.26 0.29 1.57 -2.02 0.00 0.00 178.31 179.41 1ss3 h LYS 6 N -0.80 0.04 0.08 1.11 5.09 -1.12 0.39 116.57 121.36 1ss3 h LYS 6 Ca -0.16 -0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.31 1ss3 h LYS 6 Cb 1.29 -0.01 0.01 0.00 0.10 0.00 0.00 32.23 33.62 1ss3 h LYS 6 CO -0.02 0.03 -1.14 0.93 -2.09 0.00 0.00 179.45 177.15 1ss3 h GLU 7 N 0.04 0.42 -0.26 0.07 5.08 -0.86 -1.71 114.58 117.35 1ss3 h GLU 7 Ca 0.19 -0.56 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 1ss3 h GLU 7 Cb 0.71 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1ss3 h GLU 7 CO -0.01 1.22 -0.17 0.00 -1.00 0.00 0.00 179.01 179.05 1ss3 h TYR 9 N 0.30 -0.28 0.19 0.00 5.03 -0.39 0.77 116.97 122.59 1ss3 h TYR 9 Ca 0.05 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1ss3 h TYR 9 Cb 0.71 0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.08 1ss3 h TYR 9 CO 0.07 -0.10 -0.09 0.22 -1.32 0.00 0.00 178.16 176.93 1ss3 h ASP 10 N -0.40 -0.21 -0.22 -2.11 1.82 -1.37 0.21 116.42 114.14 1ss3 h ASP 10 Ca -0.03 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.57 1ss3 h ASP 10 Cb 0.31 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1ss3 h ASP 10 CO 0.05 -0.14 -0.00 0.74 -1.61 0.00 0.00 179.24 178.28 1ss3 h THR 11 N -0.27 1.25 -0.65 2.25 2.02 -1.08 -1.36 112.91 115.09 1ss3 h THR 11 Ca -0.03 -0.88 0.08 0.00 0.77 0.00 0.00 66.41 66.36 1ss3 h THR 11 Cb 0.20 1.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 1ss3 h THR 11 CO 0.04 0.27 0.30 0.00 0.37 0.00 0.00 175.52 176.50 1ss3 h HIS 13 N 0.53 1.18 0.07 0.00 6.17 -0.02 0.70 115.15 123.77 1ss3 h HIS 13 Ca 0.32 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.42 1ss3 h HIS 13 Cb 0.33 -0.38 -0.00 0.00 2.52 0.00 0.00 27.41 29.88 1ss3 h HIS 13 CO -0.12 0.54 -0.05 -0.22 0.71 0.00 0.00 177.93 178.78 1ss3 h LYS 14 N 1.08 -0.12 -0.25 5.26 3.64 -0.01 0.35 116.57 126.52 1ss3 h LYS 14 Ca 0.47 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.93 1ss3 h LYS 14 Cb 0.34 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1ss3 h LYS 14 CO -0.22 -0.08 0.23 1.49 -2.27 0.00 0.00 179.45 178.60 1ss3 h GLU 15 N -0.12 0.00 0.00 1.90 4.81 -1.13 0.43 114.58 120.47 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 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 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 -0.83 0.00 0.87 -0.22 -0.71 113.55 112.65 1ss3 h SER 17 Ca 0.00 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1ss3 h SER 17 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 1ss3 h SER 17 CO 0.00 0.00 0.54 -0.78 -0.53 0.00 0.00 176.83 176.06 1ss3 h ASP 18 N 0.00 0.83 0.12 6.23 3.58 -0.17 0.25 116.42 127.26 1ss3 h ASP 18 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1ss3 h ASP 18 Cb 0.13 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1ss3 h ASP 18 CO -0.00 0.55 0.00 0.29 -2.88 0.00 0.00 179.24 177.20 1ss3 n LYS 19 N -4.47 0.00 -0.38 0.28 4.76 -0.27 -4.79 118.16 113.28 1ss3 n LYS 19 Ca 0.12 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 1ss3 n LYS 19 Cb 0.18 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.14 0.90 3.88 0.72 0.00 0.07 -5.09 105.19 104.53 1ss3 n GLY 20 Ca 0.01 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.33 2.82 -0.05 1.61 0.01 -1.21 -5.02 114.94 110.78 1ss3 s ASN 21 Ca 0.00 0.35 -0.27 0.00 -0.71 0.00 0.00 52.86 52.23 1ss3 s ASN 21 Cb 0.00 -0.45 -0.03 0.00 0.41 0.00 0.00 41.25 41.18 1ss3 s ASN 21 CO 0.00 -2.92 0.87 -0.83 -1.51 0.00 0.00 177.10 172.71 1ss3 s GLY 22 N -4.71 2.69 0.12 0.66 0.00 -1.26 -4.78 107.32 100.02 1ss3 s GLY 22 Ca 0.73 0.34 -0.23 0.00 0.00 0.00 0.00 44.72 45.56 1ss3 s GLY 22 CO 0.53 1.53 1.35 0.33 0.00 0.00 0.00 173.10 176.84 1ss3 n PHE 23 N 4.08 -0.32 0.19 1.90 -0.00 -1.26 0.41 117.46 122.46 1ss3 n PHE 23 Ca 0.04 0.91 -0.17 0.00 -0.00 0.00 0.00 57.45 58.23 1ss3 n PHE 23 Cb 0.51 -0.55 -0.09 0.00 -0.00 0.00 0.00 39.48 39.34 1ss3 n PHE 23 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1ss3 h THR 24 N 0.00 0.07 -0.98 -2.13 2.02 -1.99 0.94 112.91 110.84 1ss3 h THR 24 Ca 0.12 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.45 1ss3 h THR 24 Cb 0.30 0.07 -0.10 0.00 -1.74 0.00 0.00 68.15 66.68 1ss3 h THR 24 CO -0.68 0.00 0.60 0.15 0.37 0.00 0.00 175.52 175.96 1ss3 h PHE 25 N -0.83 1.07 -0.85 3.16 3.57 -1.82 0.11 116.94 121.36 1ss3 h PHE 25 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1ss3 h PHE 25 Cb 0.78 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1ss3 h PHE 25 CO -0.34 0.33 0.50 0.00 -2.23 0.00 0.00 178.31 176.57 1ss3 h GLU 27 N 1.17 -0.52 -0.59 0.00 5.08 0.17 0.34 114.58 120.22 1ss3 h GLU 27 Ca 0.30 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.87 1ss3 h GLU 27 Cb -0.04 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1ss3 h GLU 27 CO -0.06 -0.35 0.65 1.98 -1.00 0.00 0.00 179.01 180.24 1ss3 h MET 28 N -0.59 0.00 0.00 2.33 4.05 -1.11 0.30 114.93 119.91 1ss3 h MET 28 Ca -0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1ss3 h MET 28 Cb 0.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1ss3 h MET 28 CO 0.09 0.00 -0.10 -0.22 0.23 0.00 0.00 176.91 176.91 1ss3 h LYS 29 N 0.00 0.00 -1.18 0.39 1.63 -1.19 -3.28 116.57 112.95 1ss3 h LYS 29 Ca 0.28 0.00 0.34 0.00 -0.85 0.00 0.00 60.65 60.42 1ss3 h LYS 29 Cb 1.59 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.17 1ss3 h LYS 29 CO -0.00 0.00 0.94 0.00 -3.45 0.00 0.00 179.45 176.93 1ss3 h ASP 31 N 0.00 -0.66 0.69 0.00 1.82 -0.60 -2.74 116.42 114.92 1ss3 h ASP 31 Ca 0.56 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 57.17 1ss3 h ASP 31 Cb 2.42 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 42.60 1ss3 h ASP 31 CO -0.01 -0.47 -0.26 0.74 -1.61 0.00 0.00 179.24 177.63 1ss3 h THR 32 N -0.79 0.74 0.00 2.25 2.02 -1.16 -3.30 112.91 112.67 1ss3 h THR 32 Ca -0.08 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.00 1ss3 h THR 32 Cb 0.60 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1ss3 h THR 32 CO 0.13 0.25 0.00 -0.67 0.37 0.00 0.00 175.52 175.61 1ss3 n ASP 33 N -3.58 0.00 -4.36 4.18 -0.08 0.15 -3.91 116.55 108.95 1ss3 n ASP 33 Ca -0.01 0.84 -0.45 0.00 -1.51 0.00 0.00 54.79 53.67 1ss3 n ASP 33 Cb 0.40 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1ss3 n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ss3 s SER 35 N 1.70 -0.63 1.05 0.00 1.04 -1.25 -4.83 113.70 110.77 1ss3 s SER 35 Ca 0.35 -0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.65 1ss3 s SER 35 Cb -0.07 1.20 0.12 0.00 0.10 0.00 0.00 66.02 67.38 1ss3 s SER 35 CO -0.04 -0.10 0.60 0.52 0.98 0.00 0.00 173.24 175.19 1ss3 n VAL 36 N 4.75 0.00 -1.58 5.02 0.31 -1.26 -4.92 118.33 120.65 1ss3 n VAL 36 Ca 0.08 -0.38 -0.38 0.00 -0.01 0.00 0.00 64.34 63.65 1ss3 n VAL 36 Cb 0.59 -1.51 0.05 0.00 -0.91 0.00 0.00 33.84 32.05 1ss3 n VAL 36 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ss3 n LYS 37 N -2.65 0.76 -3.60 5.55 4.76 -1.26 -4.97 118.16 116.75 1ss3 n LYS 37 Ca 0.08 0.30 -0.36 0.00 -2.87 0.00 0.00 58.31 55.46 1ss3 n LYS 37 Cb 0.28 -2.05 -0.07 0.00 -1.84 0.00 0.00 35.03 31.35 1ss3 n LYS 37 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ss3 s ASP 38 N -1.26 6.38 -0.62 4.39 -1.08 -1.26 -5.01 116.67 118.21 1ss3 s ASP 38 Ca 0.75 0.44 0.05 0.00 -0.52 0.00 0.00 52.55 53.27 1ss3 s ASP 38 Cb -0.42 -2.15 0.31 0.00 -1.46 0.00 0.00 42.92 39.20 1ss3 s ASP 38 CO 0.48 0.14 0.92 0.55 0.52 0.00 0.00 175.17 177.78 1ss3 n VAL 39 N 3.44 2.97 -1.47 1.11 3.14 -1.26 -5.09 118.33 121.18 1ss3 n VAL 39 Ca -0.13 -5.49 -0.43 0.00 -2.96 0.00 0.00 64.34 55.32 1ss3 n VAL 39 Cb 0.52 -1.63 -0.00 0.00 -1.06 0.00 0.00 33.84 31.67 1ss3 n VAL 39 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1ss3 n LYS 40 N 0.11 0.64 -1.38 1.45 3.00 -1.26 -4.92 118.16 115.80 1ss3 n LYS 40 Ca 0.31 0.23 -0.30 0.00 -0.00 0.00 0.00 58.31 58.55 1ss3 n LYS 40 Cb 0.39 -1.50 0.12 0.00 0.00 0.00 0.00 35.03 34.04 1ss3 n LYS 40 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1ss3 s GLU 41 N -1.49 1.64 -0.74 1.64 2.02 -1.26 -4.89 118.70 115.63 1ss3 s GLU 41 Ca 0.62 0.71 -0.26 0.00 0.02 0.00 0.00 54.97 56.07 1ss3 s GLU 41 Cb -0.66 -1.86 -0.07 0.00 0.10 0.00 0.00 34.13 31.64 1ss3 s GLU 41 CO 0.58 -1.95 2.11 0.21 0.02 0.00 0.00 175.26 176.24 1ss3 s LYS 42 N -5.05 2.27 -0.06 1.61 2.47 -1.26 -4.88 119.74 114.83 1ss3 s LYS 42 Ca 0.62 0.40 -0.39 0.00 -1.56 0.00 0.00 55.97 55.04 1ss3 s LYS 42 Cb -0.16 -4.75 -0.17 0.00 -1.46 0.00 0.00 37.83 31.29 1ss3 s LYS 42 CO 0.55 -3.46 1.40 1.28 0.16 0.00 0.00 175.35 175.28 1ss3 n LEU 43 N 15.12 1.46 -4.90 5.43 4.77 -1.26 -4.94 117.00 132.68 1ss3 n LEU 43 Ca 0.36 1.12 -0.28 0.00 -0.03 0.00 0.00 56.01 57.18 1ss3 n LEU 43 Cb 0.49 -1.10 0.04 0.00 -2.33 0.00 0.00 43.42 40.52 1ss3 n LEU 43 CO 0.63 -1.06 0.65 -0.70 -1.33 0.00 0.00 177.39 175.58 1ss3 s GLU 44 N 1.27 2.78 0.21 3.23 2.12 -1.26 -5.02 118.70 122.04 1ss3 s GLU 44 Ca 0.90 0.17 0.00 0.00 0.36 0.00 0.00 54.97 56.41 1ss3 s GLU 44 Cb -1.08 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1ss3 s GLU 44 CO 0.56 -0.94 0.00 -1.71 -0.54 0.00 0.00 175.26 172.63 1ss3 n ASN 45 N -2.83 -0.06 -3.61 -1.70 2.85 -1.26 -5.15 115.26 103.50 1ss3 n ASN 45 Ca 0.06 0.36 -0.14 0.00 -0.11 0.00 0.00 54.58 54.75 1ss3 n ASN 45 Cb 0.58 0.27 -0.06 0.00 1.24 0.00 0.00 39.78 41.81 1ss3 n ASN 45 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1ss3 s TYR 46 N -1.76 -0.39 -0.48 1.20 5.04 -1.26 -5.12 117.35 114.58 1ss3 s TYR 46 Ca 0.00 0.47 0.06 0.00 -2.44 0.00 0.00 57.07 55.16 1ss3 s TYR 46 Cb 0.00 0.29 0.18 0.00 0.35 0.00 0.00 41.96 42.79 1ss3 s TYR 46 CO 0.00 -0.60 0.62 0.21 -1.34 0.00 0.00 175.55 174.45 1ss3 s LYS 47 N -2.19 1.00 0.52 4.97 2.20 -1.26 -5.15 119.74 119.84 1ss3 s LYS 47 Ca -0.07 -1.23 -0.20 0.00 -0.36 0.00 0.00 55.97 54.11 1ss3 s LYS 47 Cb -0.01 -0.37 -0.06 0.00 -1.51 0.00 0.00 37.83 35.88 1ss3 s LYS 47 CO 0.00 -1.33 1.12 -1.25 -0.36 0.00 0.00 175.35 173.53 1ss3 s PRO 48 N 0.79 3.48 0.47 4.03 0.04 -1.26 -4.94 135.00 137.60 1ss3 s PRO 48 Ca 0.29 1.59 0.26 0.00 0.04 0.00 0.00 61.00 63.18 1ss3 s PRO 48 Cb -0.00 -2.07 1.04 0.00 0.04 0.00 0.00 34.50 33.51 1ss3 s PRO 48 CO -0.08 -0.74 1.87 1.57 0.04 0.00 0.00 177.00 179.66 1ss3 h LYS 49 N 1.36 0.00 -0.00 4.56 2.10 -2.09 -3.57 116.57 118.93 1ss3 h LYS 49 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1ss3 h LYS 49 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1ss3 h LYS 49 CO 0.58 0.18 0.00 0.27 -2.00 0.00 0.00 179.45 178.47