#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 -0.24 -0.67 -0.58 -1.26 -4.01 120.64 113.89 1ss3 n GLU 2 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 1ss3 n GLU 2 Cb 0.00 0.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.02 1ss3 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ss3 h ALA 3 N -0.44 0.77 -1.19 0.62 0.00 -2.05 0.22 119.26 117.19 1ss3 h ALA 3 Ca 0.00 0.21 0.34 0.00 0.00 0.00 0.00 54.91 55.45 1ss3 h ALA 3 Cb 0.00 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1ss3 h ALA 3 CO 0.00 -0.39 0.81 1.96 0.00 0.00 0.00 179.25 181.63 1ss3 h GLN 4 N 0.15 0.15 0.11 0.00 4.20 -2.00 0.26 115.11 117.98 1ss3 h GLN 4 Ca 0.38 -0.01 -0.32 0.00 0.06 0.00 0.00 58.65 58.77 1ss3 h GLN 4 Cb 0.66 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1ss3 h GLN 4 CO -0.58 0.10 -1.70 0.35 -0.67 0.00 0.00 178.83 176.33 1ss3 h PHE 5 N 0.15 0.43 -0.39 2.96 3.04 -1.03 -3.22 116.94 118.88 1ss3 h PHE 5 Ca 0.62 -0.32 0.11 0.00 3.98 0.00 0.00 57.97 62.37 1ss3 h PHE 5 Cb 2.10 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 40.58 1ss3 h PHE 5 CO -0.00 1.67 0.28 -0.22 -2.02 0.00 0.00 178.31 178.02 1ss3 h LYS 6 N -0.19 0.00 0.09 1.11 3.64 0.11 0.40 116.57 121.73 1ss3 h LYS 6 Ca -0.37 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.75 1ss3 h LYS 6 Cb 1.86 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.69 1ss3 h LYS 6 CO 0.05 0.00 -1.14 1.49 -2.27 0.00 0.00 179.45 177.58 1ss3 h GLU 7 N 0.00 0.38 -0.24 1.90 4.81 -0.73 -2.02 114.58 118.68 1ss3 h GLU 7 Ca 0.18 -0.53 -0.11 0.00 -0.13 0.00 0.00 59.36 58.77 1ss3 h GLU 7 Cb 0.75 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1ss3 h GLU 7 CO -0.00 1.21 -0.30 0.00 -0.73 0.00 0.00 179.01 179.19 1ss3 h TYR 9 N 0.33 -0.22 0.25 0.00 5.03 -0.39 0.64 116.97 122.61 1ss3 h TYR 9 Ca 0.03 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 1ss3 h TYR 9 Cb 0.87 0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.23 1ss3 h TYR 9 CO 0.08 -0.05 -0.12 0.22 -1.32 0.00 0.00 178.16 176.97 1ss3 h ASP 10 N -0.34 -0.28 -0.31 -2.11 3.58 -1.42 0.12 116.42 115.66 1ss3 h ASP 10 Ca -0.02 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 1ss3 h ASP 10 Cb 0.27 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1ss3 h ASP 10 CO 0.04 -0.15 0.06 0.74 -2.88 0.00 0.00 179.24 177.04 1ss3 h THR 11 N -0.39 1.23 -0.56 2.25 2.02 -1.12 -1.69 112.91 114.65 1ss3 h THR 11 Ca -0.03 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.42 1ss3 h THR 11 Cb 0.30 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1ss3 h THR 11 CO 0.06 0.25 0.29 0.00 0.37 0.00 0.00 175.52 176.49 1ss3 h HIS 13 N 0.55 1.10 0.22 0.00 6.17 -0.21 0.38 115.15 123.35 1ss3 h HIS 13 Ca 0.25 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.36 1ss3 h HIS 13 Cb 0.16 -0.34 -0.02 0.00 2.52 0.00 0.00 27.41 29.73 1ss3 h HIS 13 CO -0.10 0.39 -0.27 -0.22 0.71 0.00 0.00 177.93 178.44 1ss3 h LYS 14 N 0.91 -0.48 0.00 5.26 3.11 -0.17 0.43 116.57 125.62 1ss3 h LYS 14 Ca 0.52 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.39 1ss3 h LYS 14 Cb 0.62 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1ss3 h LYS 14 CO -0.29 -0.32 0.00 -1.91 -2.81 0.00 0.00 179.45 174.12 1ss3 n GLU 15 N -3.99 0.06 -0.04 1.90 2.13 -0.97 -2.46 120.64 117.26 1ss3 n GLU 15 Ca -0.06 0.46 -0.01 0.00 0.66 0.00 0.00 57.16 58.21 1ss3 n GLU 15 Cb 0.24 -1.66 -0.00 0.00 0.27 0.00 0.00 31.44 30.28 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 -0.78 0.00 -0.98 0.00 0.87 -0.19 0.12 113.55 112.59 1ss3 h SER 17 Ca 0.00 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.78 1ss3 h SER 17 Cb 0.11 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.98 1ss3 h SER 17 CO 0.00 0.00 0.63 -0.78 -0.53 0.00 0.00 176.83 176.15 1ss3 h ASP 18 N 0.00 0.49 0.00 6.23 3.58 -1.59 0.14 116.42 125.27 1ss3 h ASP 18 Ca 0.19 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1ss3 h ASP 18 Cb 1.14 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1ss3 h ASP 18 CO -0.00 0.16 0.04 0.29 -2.88 0.00 0.00 179.24 176.84 1ss3 n LYS 19 N -4.59 0.07 -0.97 0.28 4.76 0.41 -4.78 118.16 113.33 1ss3 n LYS 19 Ca 0.22 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1ss3 n LYS 19 Cb 0.75 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.38 0.45 3.87 0.72 0.00 0.48 -5.05 105.19 104.28 1ss3 n GLY 20 Ca -0.01 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.53 2.71 0.36 1.61 0.01 -1.25 -5.06 114.94 110.79 1ss3 s ASN 21 Ca 0.00 0.33 -0.23 0.00 -0.71 0.00 0.00 52.86 52.25 1ss3 s ASN 21 Cb 0.00 -0.41 -0.10 0.00 0.41 0.00 0.00 41.25 41.15 1ss3 s ASN 21 CO 0.00 -2.99 0.93 -0.83 -1.51 0.00 0.00 177.10 172.69 1ss3 s GLY 22 N -4.71 2.63 0.22 0.66 0.00 -1.26 -4.80 107.32 100.05 1ss3 s GLY 22 Ca 0.73 0.44 -0.10 0.00 0.00 0.00 0.00 44.72 45.79 1ss3 s GLY 22 CO 0.54 0.81 1.67 0.27 0.00 0.00 0.00 173.10 176.39 1ss3 h PHE 23 N 2.70 -0.00 0.89 1.90 -0.00 -1.97 0.22 116.94 120.69 1ss3 h PHE 23 Ca -0.48 0.04 -0.04 0.00 -0.00 0.00 0.00 57.97 57.50 1ss3 h PHE 23 Cb 1.19 0.10 0.00 0.00 -0.00 0.00 0.00 35.95 37.24 1ss3 h PHE 23 CO 0.62 -0.15 -0.48 1.15 -0.00 0.00 0.00 178.31 179.45 1ss3 h THR 24 N 0.14 0.04 -0.36 0.88 2.02 -1.98 0.73 112.91 114.38 1ss3 h THR 24 Ca 0.33 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.57 1ss3 h THR 24 Cb 0.53 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 1ss3 h THR 24 CO -0.52 0.00 0.02 0.15 0.37 0.00 0.00 175.52 175.54 1ss3 h PHE 25 N -1.26 0.02 -0.46 3.16 3.57 -1.92 0.74 116.94 120.79 1ss3 h PHE 25 Ca -0.12 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.42 1ss3 h PHE 25 Cb 0.98 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1ss3 h PHE 25 CO -0.05 -0.05 0.30 0.00 -2.23 0.00 0.00 178.31 176.29 1ss3 h GLU 27 N 0.55 -0.39 -0.62 0.00 5.08 0.26 0.37 114.58 119.84 1ss3 h GLU 27 Ca 0.18 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.74 1ss3 h GLU 27 Cb 0.03 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1ss3 h GLU 27 CO -0.04 -0.26 0.45 0.52 -1.00 0.00 0.00 179.01 178.67 1ss3 h MET 28 N -0.48 0.00 0.15 2.33 2.86 -0.90 0.94 114.93 119.83 1ss3 h MET 28 Ca -0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1ss3 h MET 28 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1ss3 h MET 28 CO 0.07 0.00 -0.07 -0.22 1.06 0.00 0.00 176.91 177.75 1ss3 h LYS 29 N 0.00 -0.20 -1.24 1.72 3.11 -0.96 -3.16 116.57 115.84 1ss3 h LYS 29 Ca 0.29 0.01 0.36 0.00 -2.81 0.00 0.00 60.65 58.51 1ss3 h LYS 29 Cb 1.18 0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 32.41 1ss3 h LYS 29 CO -0.00 -0.13 1.01 0.00 -2.81 0.00 0.00 179.45 177.51 1ss3 h ASP 31 N 0.00 -0.99 1.07 0.00 3.58 -0.89 -2.82 116.42 116.37 1ss3 h ASP 31 Ca 0.59 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 58.04 1ss3 h ASP 31 Cb 2.60 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 43.90 1ss3 h ASP 31 CO -0.01 -0.69 -0.17 0.74 -2.88 0.00 0.00 179.24 176.23 1ss3 h THR 32 N -1.13 0.40 0.00 2.25 2.02 -1.09 -3.33 112.91 112.03 1ss3 h THR 32 Ca -0.11 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1ss3 h THR 32 Cb 0.88 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1ss3 h THR 32 CO 0.18 0.17 0.00 -0.67 0.37 0.00 0.00 175.52 175.56 1ss3 n ASP 33 N -3.29 0.00 -2.25 4.18 -0.08 0.13 -3.07 116.55 112.17 1ss3 n ASP 33 Ca 0.01 0.84 -0.18 0.00 -1.51 0.00 0.00 54.79 53.95 1ss3 n ASP 33 Cb 0.43 -0.34 -0.13 0.00 2.34 0.00 0.00 41.12 43.41 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 2.33 0.00 -3.04 0.00 2.88 -1.18 -4.99 113.62 109.61 1ss3 n SER 35 Ca 0.48 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.98 1ss3 n SER 35 Cb 0.77 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.27 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 0.00 2.46 3.14 -1.18 -4.75 118.33 118.01 1ss3 n VAL 36 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1ss3 n VAL 36 Cb 0.00 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 32.65 1ss3 n VAL 36 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1ss3 n LYS 37 N -2.29 0.00 -3.48 1.45 4.81 -1.26 -5.10 118.16 112.28 1ss3 n LYS 37 Ca 0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.31 1ss3 n LYS 37 Cb 0.08 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.09 1ss3 n LYS 37 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ss3 s ASP 38 N -0.70 -0.58 -0.45 3.14 2.15 -1.26 -5.12 116.67 113.84 1ss3 s ASP 38 Ca 0.00 0.37 0.06 0.00 0.43 0.00 0.00 52.55 53.40 1ss3 s ASP 38 Cb 0.00 0.53 0.19 0.00 -0.30 0.00 0.00 42.92 43.35 1ss3 s ASP 38 CO 0.00 -0.73 0.54 0.52 -0.17 0.00 0.00 175.17 175.33 1ss3 n VAL 39 N 0.31 -0.65 -1.56 1.11 0.31 -1.26 -5.12 118.33 111.46 1ss3 n VAL 39 Ca -0.17 -2.50 -0.49 0.00 -0.01 0.00 0.00 64.34 61.17 1ss3 n VAL 39 Cb 0.61 -0.52 -0.04 0.00 -0.91 0.00 0.00 33.84 32.97 1ss3 n VAL 39 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ss3 n LYS 40 N 2.63 1.05 -1.70 5.55 0.00 -1.26 -4.86 118.16 119.57 1ss3 n LYS 40 Ca 0.23 0.37 -0.40 0.00 0.00 0.00 0.00 58.31 58.52 1ss3 n LYS 40 Cb 0.52 -1.83 0.02 0.00 0.00 0.00 0.00 35.03 33.75 1ss3 n LYS 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ss3 n GLU 41 N 1.61 1.77 -2.04 1.64 2.13 -1.26 -4.82 120.64 119.68 1ss3 n GLU 41 Ca 0.15 0.64 -0.35 0.00 0.66 0.00 0.00 57.16 58.26 1ss3 n GLU 41 Cb 0.24 -2.41 -0.04 0.00 0.27 0.00 0.00 31.44 29.50 1ss3 n GLU 41 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1ss3 n LYS 42 N -0.33 2.04 -1.44 5.31 0.00 -1.26 -4.93 118.16 117.55 1ss3 n LYS 42 Ca 0.08 -2.58 -0.37 0.00 0.00 0.00 0.00 58.31 55.43 1ss3 n LYS 42 Cb 0.42 -3.53 0.05 0.00 0.00 0.00 0.00 35.03 31.96 1ss3 n LYS 42 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1ss3 n LEU 43 N 11.50 1.31 -4.16 3.14 0.00 -1.26 -5.01 117.00 122.52 1ss3 n LEU 43 Ca 0.47 0.71 -0.12 0.00 0.00 0.00 0.00 56.01 57.07 1ss3 n LEU 43 Cb 0.45 -1.22 -0.10 0.00 0.00 0.00 0.00 43.42 42.55 1ss3 n LEU 43 CO 0.77 -2.87 -0.39 -1.83 0.00 0.00 0.00 177.39 173.06 1ss3 s GLU 44 N -2.38 0.82 -0.13 1.96 -1.05 -1.26 -5.15 118.70 111.50 1ss3 s GLU 44 Ca 0.69 -1.25 -0.06 0.00 -0.15 0.00 0.00 54.97 54.20 1ss3 s GLU 44 Cb -0.41 -0.30 0.06 0.00 -0.44 0.00 0.00 34.13 33.03 1ss3 s GLU 44 CO 0.54 0.01 0.30 -0.80 0.95 0.00 0.00 175.26 176.26 1ss3 s ASN 45 N -2.79 -0.20 0.21 0.83 -0.87 -1.26 -5.15 114.94 105.71 1ss3 s ASN 45 Ca 0.09 0.65 -0.22 0.00 -1.57 0.00 0.00 52.86 51.80 1ss3 s ASN 45 Cb 0.02 0.60 0.07 0.00 -0.02 0.00 0.00 41.25 41.92 1ss3 s ASN 45 CO -0.03 -0.19 0.96 -0.47 -2.57 0.00 0.00 177.10 174.80 1ss3 s TYR 46 N 1.60 -0.00 -0.76 2.20 5.04 -1.26 -5.10 117.35 119.07 1ss3 s TYR 46 Ca -0.07 -0.41 0.02 0.00 -2.44 0.00 0.00 57.07 54.17 1ss3 s TYR 46 Cb -0.10 0.70 0.19 0.00 0.35 0.00 0.00 41.96 43.09 1ss3 s TYR 46 CO -0.10 -1.01 0.58 0.15 -1.34 0.00 0.00 175.55 173.84 1ss3 s LYS 47 N -2.66 2.74 0.75 4.97 3.01 -1.26 -5.10 119.74 122.20 1ss3 s LYS 47 Ca 0.17 -3.25 -0.11 0.00 -1.01 0.00 0.00 55.97 51.77 1ss3 s LYS 47 Cb -0.03 -3.63 0.05 0.00 -1.01 0.00 0.00 37.83 33.21 1ss3 s LYS 47 CO 0.05 -1.26 1.09 -1.25 0.51 0.00 0.00 175.35 174.49 1ss3 s PRO 48 N -1.29 2.36 0.67 -1.68 0.04 -1.26 -4.99 135.00 128.85 1ss3 s PRO 48 Ca 0.25 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.32 1ss3 s PRO 48 Cb -0.08 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1ss3 s PRO 48 CO -0.13 -1.57 0.67 1.17 0.04 0.00 0.00 177.00 177.17 1ss3 n LYS 49 N -3.34 0.48 0.00 4.56 4.81 -1.26 -5.33 118.16 118.08 1ss3 n LYS 49 Ca 0.09 0.20 0.14 0.00 -0.87 0.00 0.00 58.31 57.87 1ss3 n LYS 49 Cb 0.53 -1.91 0.52 0.00 0.02 0.00 0.00 35.03 34.19 1ss3 n LYS 49 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86