#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 -3.69 0.00 -1.24 -0.58 -1.26 -5.07 120.64 108.80 1ss3 n GLU 2 Ca 0.00 2.86 0.00 0.00 -0.42 0.00 0.00 57.16 59.60 1ss3 n GLU 2 Cb 0.00 -4.00 0.00 0.00 -0.57 0.00 0.00 31.44 26.87 1ss3 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ss3 n ALA 3 N 1.34 0.00 -0.05 0.62 0.00 -1.26 -4.82 120.51 116.35 1ss3 n ALA 3 Ca -0.22 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.45 1ss3 n ALA 3 Cb 0.35 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.51 1ss3 n ALA 3 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ss3 h GLN 4 N 0.00 0.00 0.00 0.00 4.20 -1.98 0.23 115.11 117.56 1ss3 h GLN 4 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ss3 h GLN 4 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ss3 h GLN 4 CO 0.00 0.00 -0.00 0.35 -0.67 0.00 0.00 178.83 178.51 1ss3 h PHE 5 N 0.00 -0.00 -0.35 2.96 3.04 -1.94 -2.90 116.94 117.75 1ss3 h PHE 5 Ca 0.30 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.32 1ss3 h PHE 5 Cb 1.28 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.77 1ss3 h PHE 5 CO 0.00 0.91 0.24 -0.22 -2.02 0.00 0.00 178.31 177.22 1ss3 h LYS 6 N -1.00 0.20 -0.17 1.11 3.64 -1.31 0.42 116.57 119.47 1ss3 h LYS 6 Ca -0.00 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 1ss3 h LYS 6 Cb 0.91 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1ss3 h LYS 6 CO 0.00 0.13 -0.66 0.93 -2.27 0.00 0.00 179.45 177.58 1ss3 h GLU 7 N 0.21 0.74 -0.35 1.90 5.08 -0.80 -1.54 114.58 119.82 1ss3 h GLU 7 Ca 0.16 -0.57 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1ss3 h GLU 7 Cb 0.36 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1ss3 h GLU 7 CO -0.03 1.19 0.05 0.00 -1.00 0.00 0.00 179.01 179.22 1ss3 h TYR 9 N 0.41 -0.54 0.15 0.00 5.03 -0.30 0.51 116.97 122.23 1ss3 h TYR 9 Ca 0.10 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 1ss3 h TYR 9 Cb 0.37 0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1ss3 h TYR 9 CO 0.03 -0.32 -0.07 0.22 -1.32 0.00 0.00 178.16 176.69 1ss3 h ASP 10 N -0.61 -0.17 -0.50 -2.11 3.58 -1.31 0.19 116.42 115.48 1ss3 h ASP 10 Ca -0.06 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.26 1ss3 h ASP 10 Cb 0.47 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 1ss3 h ASP 10 CO 0.10 -0.07 -0.03 0.74 -2.88 0.00 0.00 179.24 177.10 1ss3 h THR 11 N -0.25 1.27 -0.61 2.25 2.02 -1.19 -1.51 112.91 114.88 1ss3 h THR 11 Ca -0.02 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1ss3 h THR 11 Cb 0.20 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1ss3 h THR 11 CO 0.03 0.39 0.40 0.00 0.37 0.00 0.00 175.52 176.71 1ss3 h HIS 13 N 0.83 0.15 0.08 0.00 6.17 0.01 0.42 115.15 122.81 1ss3 h HIS 13 Ca 0.22 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.30 1ss3 h HIS 13 Cb -0.08 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 29.81 1ss3 h HIS 13 CO -0.03 0.08 -0.04 -0.22 0.71 0.00 0.00 177.93 178.43 1ss3 h LYS 14 N 0.15 -0.10 0.00 5.26 3.64 -0.79 -0.14 116.57 124.58 1ss3 h LYS 14 Ca 0.19 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1ss3 h LYS 14 Cb 0.57 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1ss3 h LYS 14 CO -0.03 -0.07 0.00 1.49 -2.27 0.00 0.00 179.45 178.57 1ss3 h GLU 15 N -0.11 0.00 0.01 1.90 4.81 -1.28 -0.82 114.58 119.09 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 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1ss3 h GLU 15 CO 0.02 0.00 -0.00 0.00 -0.73 0.00 0.00 179.01 178.29 1ss3 h SER 17 N -0.99 0.00 -1.00 0.00 0.87 -0.88 -1.78 113.55 109.77 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 0.01 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 61.86 1ss3 h SER 17 CO 0.00 0.02 0.60 -0.78 -0.53 0.00 0.00 176.83 176.14 1ss3 h ASP 18 N 0.00 0.75 0.00 6.23 3.58 -1.28 -0.53 116.42 125.16 1ss3 h ASP 18 Ca -0.00 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1ss3 h ASP 18 Cb 0.06 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1ss3 h ASP 18 CO 0.00 0.23 0.03 0.29 -2.88 0.00 0.00 179.24 176.91 1ss3 n LYS 19 N -4.80 0.00 -1.01 0.28 4.76 -0.67 -4.78 118.16 111.93 1ss3 n LYS 19 Ca 0.24 0.39 -0.00 0.00 -2.87 0.00 0.00 58.31 56.06 1ss3 n LYS 19 Cb 0.61 -1.53 -0.00 0.00 -1.84 0.00 0.00 35.03 32.26 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 0.44 3.83 0.72 0.00 -0.21 -5.05 105.19 103.54 1ss3 n GLY 20 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.76 3.53 0.47 1.61 0.01 -1.25 -5.06 114.94 111.49 1ss3 s ASN 21 Ca 0.00 0.76 -0.22 0.00 -0.71 0.00 0.00 52.86 52.70 1ss3 s ASN 21 Cb 0.00 -1.19 -0.08 0.00 0.41 0.00 0.00 41.25 40.39 1ss3 s ASN 21 CO 0.00 -2.52 1.07 -0.83 -1.51 0.00 0.00 177.10 173.32 1ss3 s GLY 22 N -4.33 2.63 0.12 0.66 0.00 -1.26 -4.81 107.32 100.32 1ss3 s GLY 22 Ca 0.66 0.71 -0.29 0.00 0.00 0.00 0.00 44.72 45.80 1ss3 s GLY 22 CO 0.52 1.08 1.60 -2.75 0.00 0.00 0.00 173.10 173.56 1ss3 h PHE 23 N 1.85 -0.99 0.01 1.90 3.04 -1.97 -0.18 116.94 120.60 1ss3 h PHE 23 Ca -0.49 0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.52 1ss3 h PHE 23 Cb 1.23 0.43 -0.05 0.00 2.56 0.00 0.00 35.95 40.12 1ss3 h PHE 23 CO 0.56 -0.45 -0.29 1.15 -2.02 0.00 0.00 178.31 177.26 1ss3 h THR 24 N -0.54 0.36 -0.32 4.41 2.02 -1.97 0.41 112.91 117.28 1ss3 h THR 24 Ca 0.05 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.29 1ss3 h THR 24 Cb 0.60 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 1ss3 h THR 24 CO -0.25 0.00 -0.05 0.15 0.37 0.00 0.00 175.52 175.73 1ss3 h PHE 25 N -0.44 -0.12 -0.52 3.16 3.57 -1.94 0.11 116.94 120.76 1ss3 h PHE 25 Ca 0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1ss3 h PHE 25 Cb 0.52 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1ss3 h PHE 25 CO -0.31 -0.11 0.31 0.00 -2.23 0.00 0.00 178.31 175.97 1ss3 h GLU 27 N 0.71 -0.17 -0.77 0.00 5.08 0.78 0.13 114.58 120.33 1ss3 h GLU 27 Ca 0.19 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.78 1ss3 h GLU 27 Cb -0.03 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1ss3 h GLU 27 CO -0.04 -0.11 0.66 1.98 -1.00 0.00 0.00 179.01 180.50 1ss3 h MET 28 N -0.21 0.00 0.00 2.33 4.05 -0.81 0.29 114.93 120.58 1ss3 h MET 28 Ca -0.02 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1ss3 h MET 28 Cb 0.13 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 1ss3 h MET 28 CO 0.03 0.00 -0.00 -0.22 0.23 0.00 0.00 176.91 176.95 1ss3 h LYS 29 N 0.00 -0.00 -0.71 0.39 3.11 -1.23 -3.23 116.57 114.89 1ss3 h LYS 29 Ca 0.37 0.00 0.21 0.00 -2.81 0.00 0.00 60.65 58.41 1ss3 h LYS 29 Cb 1.68 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.88 1ss3 h LYS 29 CO -0.00 0.22 0.54 0.00 -2.81 0.00 0.00 179.45 177.40 1ss3 h ASP 31 N 0.00 -0.46 0.62 0.00 1.82 -0.62 -2.90 116.42 114.88 1ss3 h ASP 31 Ca 0.34 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.94 1ss3 h ASP 31 Cb 1.41 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.53 1ss3 h ASP 31 CO -0.00 -0.32 -0.25 0.74 -1.61 0.00 0.00 179.24 177.79 1ss3 h THR 32 N -0.53 0.76 0.00 2.25 2.02 -1.50 -3.31 112.91 112.60 1ss3 h THR 32 Ca -0.05 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1ss3 h THR 32 Cb 0.41 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1ss3 h THR 32 CO 0.08 0.25 0.00 -0.67 0.37 0.00 0.00 175.52 175.55 1ss3 n ASP 33 N -3.63 0.00 -4.44 4.18 -0.08 0.97 -4.02 116.55 109.54 1ss3 n ASP 33 Ca -0.01 0.76 -0.44 0.00 -1.51 0.00 0.00 54.79 53.59 1ss3 n ASP 33 Cb 0.38 -0.26 -0.00 0.00 2.34 0.00 0.00 41.12 43.58 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 2.49 -0.88 1.14 0.00 0.15 -1.25 -4.84 113.70 110.50 1ss3 s SER 35 Ca 0.40 1.36 -0.16 0.00 0.70 0.00 0.00 55.95 58.24 1ss3 s SER 35 Cb -0.04 1.55 0.24 0.00 -1.71 0.00 0.00 66.02 66.05 1ss3 s SER 35 CO -0.02 -0.21 1.01 0.52 1.20 0.00 0.00 173.24 175.74 1ss3 n VAL 36 N 4.46 0.00 -4.02 4.45 0.31 -1.26 -5.01 118.33 117.26 1ss3 n VAL 36 Ca -0.18 -0.56 -0.22 0.00 -0.01 0.00 0.00 64.34 63.37 1ss3 n VAL 36 Cb 0.56 -1.34 -0.04 0.00 -0.91 0.00 0.00 33.84 32.11 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 -5.25 2.76 1.05 5.55 -2.85 -1.26 -5.12 119.74 114.61 1ss3 s LYS 37 Ca 0.62 -1.21 -0.11 0.00 -1.00 0.00 0.00 55.97 54.27 1ss3 s LYS 37 Cb -0.04 -2.47 0.22 0.00 -2.06 0.00 0.00 37.83 33.48 1ss3 s LYS 37 CO 0.46 0.27 1.08 0.34 0.10 0.00 0.00 175.35 177.60 1ss3 s ASP 38 N -3.88 1.86 -0.42 0.03 2.15 -1.26 -5.03 116.67 110.12 1ss3 s ASP 38 Ca 0.36 1.86 0.09 0.00 0.43 0.00 0.00 52.55 55.29 1ss3 s ASP 38 Cb -0.07 -2.44 0.29 0.00 -0.30 0.00 0.00 42.92 40.40 1ss3 s ASP 38 CO 0.25 -3.71 0.65 0.52 -0.17 0.00 0.00 175.17 172.71 1ss3 n VAL 39 N -4.62 0.01 0.00 1.11 0.31 -1.26 -4.98 118.33 108.90 1ss3 n VAL 39 Ca 0.07 -4.44 0.00 0.00 -0.01 0.00 0.00 64.34 59.96 1ss3 n VAL 39 Cb 0.53 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 1ss3 n VAL 39 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ss3 n LYS 40 N 0.82 0.00 -1.07 5.55 5.02 -1.26 -5.06 118.16 122.15 1ss3 n LYS 40 Ca 0.24 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.39 1ss3 n LYS 40 Cb 0.56 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.74 1ss3 n LYS 40 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ss3 n GLU 41 N 0.00 2.17 -2.85 1.97 4.71 -1.26 -4.51 120.64 120.87 1ss3 n GLU 41 Ca 0.00 -3.26 -0.12 0.00 -0.01 0.00 0.00 57.16 53.77 1ss3 n GLU 41 Cb 0.00 -1.99 0.04 0.00 -1.01 0.00 0.00 31.44 28.49 1ss3 n GLU 41 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ss3 n LYS 42 N -1.07 0.92 -1.54 3.49 4.81 -1.26 -5.14 118.16 118.37 1ss3 n LYS 42 Ca 0.43 -2.23 -0.46 0.00 -0.87 0.00 0.00 58.31 55.18 1ss3 n LYS 42 Cb 1.13 -1.28 -0.02 0.00 0.02 0.00 0.00 35.03 34.88 1ss3 n LYS 42 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ss3 n LEU 43 N 0.81 1.01 -4.72 3.14 0.00 -1.26 -4.89 117.00 111.08 1ss3 n LEU 43 Ca 0.11 1.17 -0.42 0.00 0.00 0.00 0.00 56.01 56.87 1ss3 n LEU 43 Cb 0.66 -1.20 -0.03 0.00 0.00 0.00 0.00 43.42 42.85 1ss3 n LEU 43 CO 0.08 -1.80 1.22 -1.83 0.00 0.00 0.00 177.39 175.06 1ss3 s GLU 44 N -1.36 4.21 -0.29 1.96 -1.05 -1.26 -4.98 118.70 115.93 1ss3 s GLU 44 Ca 0.61 2.37 -0.25 0.00 -0.15 0.00 0.00 54.97 57.55 1ss3 s GLU 44 Cb -0.77 -3.14 0.17 0.00 -0.44 0.00 0.00 34.13 29.95 1ss3 s GLU 44 CO 0.59 -0.59 1.33 1.21 0.95 0.00 0.00 175.26 178.75 1ss3 s ASN 45 N 1.02 -0.16 -0.21 0.83 2.47 -1.26 -5.19 114.94 112.44 1ss3 s ASN 45 Ca 0.69 0.31 -0.27 0.00 0.42 0.00 0.00 52.86 54.01 1ss3 s ASN 45 Cb -0.44 0.33 0.11 0.00 -1.45 0.00 0.00 41.25 39.80 1ss3 s ASN 45 CO 0.33 -0.05 0.94 -0.47 -3.72 0.00 0.00 177.10 174.13 1ss3 s TYR 46 N 0.10 -0.50 0.17 0.43 6.14 -1.26 -5.18 117.35 117.24 1ss3 s TYR 46 Ca 0.06 1.07 0.11 0.00 0.64 0.00 0.00 57.07 58.95 1ss3 s TYR 46 Cb -0.05 0.39 -0.04 0.00 0.42 0.00 0.00 41.96 42.67 1ss3 s TYR 46 CO -0.13 -0.33 -0.22 -1.59 0.64 0.00 0.00 175.55 173.92 1ss3 s LYS 47 N -0.37 1.58 1.25 4.97 -2.85 -1.26 -5.15 119.74 117.91 1ss3 s LYS 47 Ca -0.01 -1.42 -0.21 0.00 -1.00 0.00 0.00 55.97 53.34 1ss3 s LYS 47 Cb -0.03 -1.92 0.31 0.00 -2.06 0.00 0.00 37.83 34.12 1ss3 s LYS 47 CO -0.01 0.42 1.12 -1.25 0.10 0.00 0.00 175.35 175.73 1ss3 s PRO 48 N -2.49 -1.59 0.05 1.78 0.04 -1.26 -5.09 135.00 126.44 1ss3 s PRO 48 Ca 0.19 -0.21 0.07 0.00 0.04 0.00 0.00 61.00 61.09 1ss3 s PRO 48 Cb -0.09 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.86 1ss3 s PRO 48 CO 0.10 -3.93 -0.20 -1.59 0.04 0.00 0.00 177.00 171.42 1ss3 s LYS 49 N -5.52 1.26 0.00 4.56 -2.85 -1.26 -5.36 119.74 110.56 1ss3 s LYS 49 Ca 0.72 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.74 1ss3 s LYS 49 Cb -0.07 -1.38 0.00 0.00 -2.06 0.00 0.00 37.83 34.31 1ss3 s LYS 49 CO 0.56 0.35 0.18 0.27 0.10 0.00 0.00 175.35 176.80