#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 -0.14 0.11 4.71 -1.26 -4.05 120.64 120.01 1ss3 n GLU 2 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1ss3 n GLU 2 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 31.44 30.48 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 0.46 -1.16 0.62 0.00 -2.05 0.20 119.26 117.34 1ss3 h ALA 3 Ca 0.00 0.11 0.33 0.00 0.00 0.00 0.00 54.91 55.35 1ss3 h ALA 3 Cb 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1ss3 h ALA 3 CO 0.00 -0.35 0.81 1.96 0.00 0.00 0.00 179.25 181.68 1ss3 h GLN 4 N 0.18 0.09 0.11 0.00 4.20 -2.01 0.14 115.11 117.82 1ss3 h GLN 4 Ca 0.22 -0.01 -0.30 0.00 0.06 0.00 0.00 58.65 58.62 1ss3 h GLN 4 Cb 0.30 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1ss3 h GLN 4 CO -0.32 0.06 -1.60 0.35 -0.67 0.00 0.00 178.83 176.65 1ss3 h PHE 5 N 0.10 0.43 -0.88 2.96 3.04 -1.50 -3.22 116.94 117.86 1ss3 h PHE 5 Ca 0.58 -0.31 0.19 0.00 3.98 0.00 0.00 57.97 62.41 1ss3 h PHE 5 Cb 2.10 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 40.53 1ss3 h PHE 5 CO -0.00 1.63 0.58 1.57 -2.02 0.00 0.00 178.31 180.07 1ss3 h LYS 6 N -0.24 0.46 -0.07 1.11 5.09 0.12 0.41 116.57 123.44 1ss3 h LYS 6 Ca -0.35 -0.03 -0.23 0.00 0.09 0.00 0.00 60.65 60.13 1ss3 h LYS 6 Cb 1.82 -0.10 0.01 0.00 0.10 0.00 0.00 32.23 34.05 1ss3 h LYS 6 CO 0.04 0.30 -0.88 0.93 -2.09 0.00 0.00 179.45 177.76 1ss3 h GLU 7 N 0.47 0.65 -0.31 0.07 5.08 -0.97 -0.86 114.58 118.71 1ss3 h GLU 7 Ca 0.46 -0.61 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 1ss3 h GLU 7 Cb 1.04 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1ss3 h GLU 7 CO -0.18 1.21 -0.20 0.00 -1.00 0.00 0.00 179.01 178.84 1ss3 h TYR 9 N 0.44 -0.29 0.19 0.00 5.03 -0.31 0.65 116.97 122.69 1ss3 h TYR 9 Ca 0.06 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 1ss3 h TYR 9 Cb 0.74 0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.12 1ss3 h TYR 9 CO 0.06 -0.09 -0.09 0.22 -1.32 0.00 0.00 178.16 176.94 1ss3 h ASP 10 N -0.43 -0.22 -0.33 -2.11 1.82 -1.19 0.18 116.42 114.14 1ss3 h ASP 10 Ca -0.03 -0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.53 1ss3 h ASP 10 Cb 0.33 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 1ss3 h ASP 10 CO 0.05 -0.10 0.05 0.74 -1.61 0.00 0.00 179.24 178.37 1ss3 h THR 11 N -0.32 1.24 -0.45 2.25 2.02 -1.02 -1.67 112.91 114.96 1ss3 h THR 11 Ca -0.03 -0.83 0.05 0.00 0.77 0.00 0.00 66.41 66.37 1ss3 h THR 11 Cb 0.24 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1ss3 h THR 11 CO 0.04 0.27 0.20 0.00 0.37 0.00 0.00 175.52 176.41 1ss3 h HIS 13 N 0.41 0.88 0.01 0.00 6.17 -0.06 0.52 115.15 123.08 1ss3 h HIS 13 Ca 0.20 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.31 1ss3 h HIS 13 Cb 0.15 -0.28 -0.00 0.00 2.52 0.00 0.00 27.41 29.80 1ss3 h HIS 13 CO -0.12 0.33 -0.01 0.87 0.71 0.00 0.00 177.93 179.71 1ss3 h LYS 14 N 0.75 -0.01 0.00 5.26 1.79 -0.33 0.35 116.57 124.38 1ss3 h LYS 14 Ca 0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1ss3 h LYS 14 Cb 0.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1ss3 h LYS 14 CO -0.21 -0.01 0.07 1.49 -1.08 0.00 0.00 179.45 179.70 1ss3 h GLU 15 N -0.02 0.00 0.03 3.15 4.81 -1.18 -0.85 114.58 120.52 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 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1ss3 h GLU 15 CO 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 178.27 1ss3 h SER 17 N -0.33 0.00 -0.92 0.00 0.87 -0.17 0.69 113.55 113.69 1ss3 h SER 17 Ca -0.00 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.74 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 0.60 -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 -1.25 0.74 116.42 126.27 1ss3 h ASP 18 Ca 0.09 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1ss3 h ASP 18 Cb 0.66 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1ss3 h ASP 18 CO -0.00 0.23 0.01 0.29 -2.88 0.00 0.00 179.24 176.89 1ss3 n LYS 19 N -4.57 0.06 -0.93 0.28 4.76 0.24 -4.79 118.16 113.20 1ss3 n LYS 19 Ca 0.20 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 56.19 1ss3 n LYS 19 Cb 0.62 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 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 -1.41 0.43 3.87 0.72 0.00 0.25 -5.05 105.19 104.01 1ss3 n GLY 20 Ca -0.01 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.84 2.83 0.41 1.61 0.01 -1.25 -5.05 114.94 110.67 1ss3 s ASN 21 Ca 0.00 0.37 -0.23 0.00 -0.71 0.00 0.00 52.86 52.29 1ss3 s ASN 21 Cb 0.00 -0.48 -0.09 0.00 0.41 0.00 0.00 41.25 41.09 1ss3 s ASN 21 CO 0.00 -2.92 1.03 -0.83 -1.51 0.00 0.00 177.10 172.88 1ss3 s GLY 22 N -4.69 2.67 0.11 0.66 0.00 -1.26 -4.84 107.32 99.96 1ss3 s GLY 22 Ca 0.73 0.65 -0.33 0.00 0.00 0.00 0.00 44.72 45.76 1ss3 s GLY 22 CO 0.53 1.04 1.57 -2.75 0.00 0.00 0.00 173.10 173.49 1ss3 h PHE 23 N 2.30 -1.37 -0.08 1.90 3.04 -1.97 0.58 116.94 121.34 1ss3 h PHE 23 Ca -0.48 0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.53 1ss3 h PHE 23 Cb 1.21 0.58 -0.06 0.00 2.56 0.00 0.00 35.95 40.24 1ss3 h PHE 23 CO 0.58 -0.58 -0.46 1.15 -2.02 0.00 0.00 178.31 176.98 1ss3 h THR 24 N -0.75 0.09 -0.47 4.41 2.02 -1.98 0.43 112.91 116.66 1ss3 h THR 24 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1ss3 h THR 24 Cb 0.75 0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.18 1ss3 h THR 24 CO -0.24 0.00 0.07 0.15 0.37 0.00 0.00 175.52 175.87 1ss3 h PHE 25 N -0.56 0.11 -0.76 3.16 3.57 -1.93 0.27 116.94 120.81 1ss3 h PHE 25 Ca 0.05 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1ss3 h PHE 25 Cb 0.66 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 1ss3 h PHE 25 CO -0.50 -0.03 0.50 0.00 -2.23 0.00 0.00 178.31 176.06 1ss3 h GLU 27 N 0.90 -0.24 -1.04 0.00 5.08 0.19 0.24 114.58 119.71 1ss3 h GLU 27 Ca 0.31 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 58.99 1ss3 h GLU 27 Cb 0.09 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1ss3 h GLU 27 CO -0.09 -0.16 0.81 1.98 -1.00 0.00 0.00 179.01 180.55 1ss3 h MET 28 N -0.36 0.00 0.00 2.33 4.05 -0.54 0.26 114.93 120.67 1ss3 h MET 28 Ca -0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1ss3 h MET 28 Cb 0.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1ss3 h MET 28 CO 0.04 0.00 -0.01 -0.22 0.23 0.00 0.00 176.91 176.95 1ss3 h LYS 29 N 0.00 0.00 -1.52 0.39 1.63 -1.17 -3.30 116.57 112.60 1ss3 h LYS 29 Ca 0.50 0.00 0.44 0.00 -0.85 0.00 0.00 60.65 60.74 1ss3 h LYS 29 Cb 2.12 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 33.69 1ss3 h LYS 29 CO -0.01 0.00 1.10 0.00 -3.45 0.00 0.00 179.45 177.09 1ss3 h ASP 31 N 0.00 -0.90 0.92 0.00 1.82 -0.67 -2.24 116.42 115.35 1ss3 h ASP 31 Ca 0.72 0.05 -0.11 0.00 -0.39 0.00 0.00 57.03 57.31 1ss3 h ASP 31 Cb 2.91 0.27 -0.02 0.00 0.68 0.00 0.00 39.33 43.18 1ss3 h ASP 31 CO -0.01 -0.53 -0.51 0.74 -1.61 0.00 0.00 179.24 177.33 1ss3 h THR 32 N -0.84 1.08 0.21 2.25 2.02 -1.05 -3.32 112.91 113.27 1ss3 h THR 32 Ca -0.07 -1.95 -0.01 0.00 0.77 0.00 0.00 66.41 65.15 1ss3 h THR 32 Cb 0.68 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1ss3 h THR 32 CO 0.06 0.50 -0.20 -0.78 0.37 0.00 0.00 175.52 175.47 1ss3 h ASP 33 N 0.00 -0.54 -0.12 4.18 1.82 -0.10 -2.69 116.42 118.98 1ss3 h ASP 33 Ca -0.01 0.04 -0.17 0.00 -0.39 0.00 0.00 57.03 56.50 1ss3 h ASP 33 Cb 1.10 0.18 -0.06 0.00 0.68 0.00 0.00 39.33 41.23 1ss3 h ASP 33 CO 0.07 -0.26 -0.18 0.00 -1.61 0.00 0.00 179.24 177.25 1ss3 n SER 35 N 1.99 -1.92 -3.37 0.00 2.88 -1.01 -4.95 113.62 107.24 1ss3 n SER 35 Ca 0.31 -2.89 -0.22 0.00 -1.33 0.00 0.00 58.87 54.74 1ss3 n SER 35 Cb 0.76 1.51 0.17 0.00 -0.75 0.00 0.00 64.21 65.90 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 0.13 0.00 -3.17 2.46 0.31 -1.25 -4.84 118.33 111.96 1ss3 n VAL 36 Ca -0.01 -0.57 0.05 0.00 -0.01 0.00 0.00 64.34 63.80 1ss3 n VAL 36 Cb 0.74 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 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 -5.04 0.07 -0.27 5.55 1.02 -1.26 -5.13 119.74 114.68 1ss3 s LYS 37 Ca 0.55 0.15 -0.43 0.00 0.02 0.00 0.00 55.97 56.27 1ss3 s LYS 37 Cb -0.03 0.09 -0.19 0.00 -0.52 0.00 0.00 37.83 37.18 1ss3 s LYS 37 CO 0.40 -0.06 1.49 -3.47 -0.92 0.00 0.00 175.35 172.79 1ss3 n ASP 38 N 5.21 1.29 -3.00 2.83 -0.08 -1.26 -4.93 116.55 116.61 1ss3 n ASP 38 Ca -0.08 1.15 -0.11 0.00 -1.51 0.00 0.00 54.79 54.24 1ss3 n ASP 38 Cb 0.55 -0.99 -0.03 0.00 2.34 0.00 0.00 41.12 42.99 1ss3 n ASP 38 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ss3 s VAL 39 N 2.20 -0.59 0.00 5.18 1.01 -1.26 -5.07 120.40 121.87 1ss3 s VAL 39 Ca 0.98 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1ss3 s VAL 39 Cb -1.28 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1ss3 s VAL 39 CO 0.69 -0.38 0.00 2.29 0.00 0.00 0.00 175.10 177.69 1ss3 n LYS 40 N 3.08 0.00 -0.61 2.72 2.85 -1.26 -5.17 118.16 119.78 1ss3 n LYS 40 Ca 0.20 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.16 1ss3 n LYS 40 Cb 0.53 0.00 0.20 0.00 -0.65 0.00 0.00 35.03 35.11 1ss3 n LYS 40 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ss3 n GLU 41 N 0.00 -1.55 -1.64 -1.58 -0.58 -1.26 -4.83 120.64 109.20 1ss3 n GLU 41 Ca 0.00 -0.42 -0.41 0.00 -0.42 0.00 0.00 57.16 55.91 1ss3 n GLU 41 Cb 0.00 -2.06 -0.01 0.00 -0.57 0.00 0.00 31.44 28.80 1ss3 n GLU 41 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ss3 n LYS 42 N -3.68 3.21 -1.54 3.49 4.81 -1.26 -4.95 118.16 118.25 1ss3 n LYS 42 Ca 0.05 -2.55 -0.59 0.00 -0.87 0.00 0.00 58.31 54.34 1ss3 n LYS 42 Cb 0.55 -3.10 -0.08 0.00 0.02 0.00 0.00 35.03 32.43 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 5.06 0.28 0.00 3.14 -0.00 -1.26 -4.52 117.00 119.71 1ss3 n LEU 43 Ca 0.60 1.16 0.00 0.00 -0.00 0.00 0.00 56.01 57.77 1ss3 n LEU 43 Cb 0.33 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 42.81 1ss3 n LEU 43 CO 0.88 -1.71 0.00 1.21 -0.00 0.00 0.00 177.39 177.77 1ss3 n GLU 44 N 1.89 0.00 -1.37 1.47 2.13 -1.26 -5.14 120.64 118.35 1ss3 n GLU 44 Ca 0.21 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.64 1ss3 n GLU 44 Cb 0.08 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.81 1ss3 n GLU 44 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ss3 n ASN 45 N 0.00 -2.17 -3.62 4.31 6.94 -1.26 -5.01 115.26 114.46 1ss3 n ASN 45 Ca 0.00 0.71 -0.14 0.00 -0.02 0.00 0.00 54.58 55.13 1ss3 n ASN 45 Cb 0.00 -1.03 -0.07 0.00 -2.36 0.00 0.00 39.78 36.32 1ss3 n ASN 45 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1ss3 s TYR 46 N -1.83 -0.72 0.38 -2.53 2.02 -1.26 -5.16 117.35 108.24 1ss3 s TYR 46 Ca 0.64 1.69 -0.11 0.00 -0.37 0.00 0.00 57.07 58.92 1ss3 s TYR 46 Cb -0.47 0.31 -0.07 0.00 -0.40 0.00 0.00 41.96 41.32 1ss3 s TYR 46 CO 0.59 -0.39 0.74 -1.59 -1.57 0.00 0.00 175.55 173.33 1ss3 s LYS 47 N 0.12 3.80 0.81 -0.62 -2.85 -1.26 -5.08 119.74 114.66 1ss3 s LYS 47 Ca -0.01 0.45 -0.11 0.00 -1.00 0.00 0.00 55.97 55.30 1ss3 s LYS 47 Cb -0.04 -2.43 0.08 0.00 -2.06 0.00 0.00 37.83 33.38 1ss3 s LYS 47 CO 0.01 0.02 1.09 -1.25 0.10 0.00 0.00 175.35 175.32 1ss3 s PRO 48 N -3.67 1.94 0.40 1.78 0.04 -1.26 -5.07 135.00 129.17 1ss3 s PRO 48 Ca 0.51 0.92 0.05 0.00 0.04 0.00 0.00 61.00 62.52 1ss3 s PRO 48 Cb -0.10 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1ss3 s PRO 48 CO 0.29 -1.79 0.57 0.21 0.04 0.00 0.00 177.00 176.32 1ss3 s LYS 49 N -4.98 2.98 0.00 4.56 2.36 -1.26 -5.36 119.74 118.04 1ss3 s LYS 49 Ca 0.61 -0.92 0.21 0.00 -2.55 0.00 0.00 55.97 53.32 1ss3 s LYS 49 Cb -0.17 -2.71 0.16 0.00 -1.05 0.00 0.00 37.83 34.06 1ss3 s LYS 49 CO 0.56 -0.17 1.16 0.09 1.55 0.00 0.00 175.35 178.54