#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqg n SER 2 N 0.00 -0.79 0.00 1.61 3.41 -1.26 -5.09 113.62 111.50 2wqg n SER 2 Ca 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2wqg n SER 2 Cb 0.00 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wqg n ALA 3 N -2.69 0.64 -3.86 7.33 0.00 -1.26 -5.00 120.51 115.67 2wqg n ALA 3 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 2wqg n ALA 3 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2wqg n ALA 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wqg n ASP 4 N -0.81 -1.64 -0.06 0.00 2.03 -1.26 -4.80 116.55 110.02 2wqg n ASP 4 Ca 0.00 -0.89 0.14 0.00 0.52 0.00 0.00 54.79 54.56 2wqg n ASP 4 Cb 0.00 -3.59 0.55 0.00 -0.72 0.00 0.00 41.12 37.36 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2wqg h TYR 5 N -1.87 0.33 -0.47 -0.67 0.05 -1.94 -0.66 116.97 111.74 2wqg h TYR 5 Ca -0.61 0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.31 2wqg h TYR 5 Cb 1.37 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.98 2wqg h TYR 5 CO 0.50 0.15 0.61 1.03 -1.05 0.00 0.00 178.16 179.41 2wqg h SER 6 N 0.31 0.00 0.00 3.88 0.87 -1.90 0.38 113.55 117.09 2wqg h SER 6 Ca 0.27 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.68 2wqg h SER 6 Cb 0.64 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 2wqg h SER 6 CO -0.06 0.00 -2.00 -1.54 -0.53 0.00 0.00 176.83 172.70 2wqg n SER 7 N -3.45 0.77 -3.70 6.23 3.41 -0.28 -4.99 113.62 111.61 2wqg n SER 7 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2wqg n SER 7 Cb 0.79 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 66.16 2wqg n SER 7 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wqg n LEU 8 N -2.37 0.00 -4.62 1.04 4.32 0.13 -5.04 117.00 110.46 2wqg n LEU 8 Ca -0.15 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.60 2wqg n LEU 8 Cb 0.75 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.47 2wqg n LEU 8 CO 0.38 -0.74 -0.33 0.28 -1.22 0.00 0.00 177.39 175.76 2wqg s THR 9 N -0.23 2.94 0.35 -5.08 -1.32 -1.26 -5.02 115.64 106.01 2wqg s THR 9 Ca 0.00 -1.99 0.08 0.00 -1.21 0.00 0.00 61.69 58.56 2wqg s THR 9 Cb 0.00 -2.75 0.12 0.00 -1.51 0.00 0.00 72.50 68.35 2wqg s THR 9 CO 0.00 -0.29 1.84 -0.37 -2.21 0.00 0.00 174.62 173.58 2wqg h VAL 10 N 1.88 1.22 -0.25 5.08 -1.51 -1.96 -0.16 116.25 120.56 2wqg h VAL 10 Ca -0.43 -1.03 -0.08 0.00 -1.23 0.00 0.00 66.70 63.94 2wqg h VAL 10 Cb 1.25 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 2wqg h VAL 10 CO 0.63 0.32 -0.14 -0.37 -1.23 0.00 0.00 177.57 176.78 2wqg h VAL 11 N 0.26 1.30 -0.15 7.19 -1.51 -1.99 -1.92 116.25 119.43 2wqg h VAL 11 Ca 0.05 -1.23 -0.20 0.00 -1.23 0.00 0.00 66.70 64.09 2wqg h VAL 11 Cb 0.52 1.56 0.01 0.00 -2.13 0.00 0.00 31.29 31.25 2wqg h VAL 11 CO 0.03 0.39 -0.67 1.56 -1.23 0.00 0.00 177.57 177.65 2wqg h GLN 12 N 0.27 0.72 0.30 5.19 7.50 -1.95 -0.84 115.11 126.29 2wqg h GLN 12 Ca 0.05 -0.58 0.00 0.00 0.50 0.00 0.00 58.65 58.63 2wqg h GLN 12 Cb 0.65 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 28.27 2wqg h GLN 12 CO 0.04 1.19 -0.34 -0.07 -1.50 0.00 0.00 178.83 178.15 2wqg h LEU 13 N 0.43 -0.92 -0.92 1.46 4.07 -1.03 0.17 115.31 118.56 2wqg h LEU 13 Ca -0.04 0.09 -0.11 0.00 0.08 0.00 0.00 57.88 57.89 2wqg h LEU 13 Cb 1.30 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 43.35 2wqg h LEU 13 CO 0.14 -0.46 -0.51 0.07 -1.08 0.00 0.00 178.44 176.59 2wqg h LYS 14 N -0.68 0.06 0.08 1.13 2.10 -1.42 -0.50 116.57 117.34 2wqg h LYS 14 Ca -0.01 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2wqg h LYS 14 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2wqg h LYS 14 CO -0.09 0.56 -0.04 0.22 -2.00 0.00 0.00 179.45 178.11 2wqg h ASP 15 N 0.05 -0.09 0.19 7.07 1.82 -0.75 -1.34 116.42 123.38 2wqg h ASP 15 Ca -0.00 -0.19 -0.08 0.00 -0.39 0.00 0.00 57.03 56.37 2wqg h ASP 15 Cb 0.93 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.95 2wqg h ASP 15 CO 0.07 0.14 -0.29 0.17 -1.61 0.00 0.00 179.24 177.72 2wqg h LEU 16 N -0.32 0.16 0.53 2.28 -0.00 -0.65 -1.71 115.31 115.61 2wqg h LEU 16 Ca -0.01 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.80 2wqg h LEU 16 Cb 0.27 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 2wqg h LEU 16 CO 0.02 0.46 -0.34 -0.07 -0.00 0.00 0.00 178.44 178.51 2wqg h LEU 17 N 0.15 -0.86 -1.72 0.17 3.38 -0.70 0.37 115.31 116.10 2wqg h LEU 17 Ca 0.02 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wqg h LEU 17 Cb 0.60 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2wqg h LEU 17 CO 0.04 -0.53 -0.14 0.00 0.09 0.00 0.00 178.44 177.90 2wqg h THR 18 N -0.83 1.09 -0.43 0.22 1.03 -1.18 -0.09 112.91 112.73 2wqg h THR 18 Ca -0.06 -0.50 -0.00 0.00 -0.01 0.00 0.00 66.41 65.84 2wqg h THR 18 Cb 0.68 1.27 -0.02 0.00 -1.07 0.00 0.00 68.15 69.01 2wqg h THR 18 CO 0.05 0.14 0.25 0.50 -0.01 0.00 0.00 175.52 176.45 2wqg h LYS 19 N 0.00 0.58 0.00 0.00 3.64 -0.32 -0.38 116.57 120.09 2wqg h LYS 19 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2wqg h LYS 19 Cb 0.26 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2wqg h LYS 19 CO 0.02 0.42 -0.20 0.54 -2.27 0.00 0.00 179.45 177.96 2wqg n ARG 20 N -4.44 0.22 -0.20 1.90 1.74 0.02 -4.92 116.66 110.99 2wqg n ARG 20 Ca 0.03 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2wqg n ARG 20 Cb 0.09 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 2wqg n ARG 20 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wqg n ASN 21 N -2.07 0.00 0.00 0.55 3.02 -0.15 -4.97 115.26 111.64 2wqg n ASN 21 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2wqg n ASN 21 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2wqg n ASN 21 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wqg n LEU 22 N 0.00 0.00 0.00 3.41 4.77 -1.12 -4.96 117.00 119.11 2wqg n LEU 22 Ca 0.00 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2wqg n LEU 22 Cb 0.00 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2wqg n LEU 22 CO 0.00 -0.07 0.00 -1.20 -1.33 0.00 0.00 177.39 174.79 2wqg n SER 23 N -0.71 0.00 0.00 -1.43 7.64 -1.24 -4.97 113.62 112.90 2wqg n SER 23 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wqg n SER 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2wqg n SER 23 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2wqg n VAL 24 N -1.57 0.08 -0.76 0.44 0.24 -1.26 -4.43 118.33 111.07 2wqg n VAL 24 Ca 0.00 -0.23 -0.27 0.00 -2.04 0.00 0.00 64.34 61.80 2wqg n VAL 24 Cb 0.00 1.45 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 2wqg n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wqg n GLY 25 N -0.04 2.60 0.00 7.63 0.00 -1.26 -4.03 105.19 110.08 2wqg n GLY 25 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2wqg n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wqg n GLY 26 N 4.12 -0.66 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.23 2wqg n GLY 26 Ca 0.41 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.80 2wqg n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wqg n LEU 27 N -0.05 0.00 -0.05 0.99 -0.00 -1.26 -4.92 117.00 111.71 2wqg n LEU 27 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 2wqg n LEU 27 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 2wqg n LEU 27 CO 0.00 0.00 0.54 0.50 -0.00 0.00 0.00 177.39 178.43 2wqg h LYS 28 N 0.00 -0.46 -0.64 1.96 3.64 -1.95 2.70 116.57 121.82 2wqg h LYS 28 Ca 0.00 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 2wqg h LYS 28 Cb 0.00 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 2wqg h LYS 28 CO 0.00 -0.30 0.27 -0.97 -2.27 0.00 0.00 179.45 176.18 2wqg h ASN 29 N -0.47 0.31 0.36 4.20 -1.24 -1.96 0.33 115.58 117.11 2wqg h ASN 29 Ca 0.08 0.07 -0.07 0.00 0.71 0.00 0.00 56.30 57.09 2wqg h ASN 29 Cb 0.63 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 2wqg h ASN 29 CO -0.48 0.18 -0.31 -0.33 -1.29 0.00 0.00 177.43 175.19 2wqg h GLU 30 N 0.48 0.00 -0.11 6.67 4.39 -1.42 -1.71 114.58 122.88 2wqg h GLU 30 Ca 0.32 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.94 2wqg h GLU 30 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2wqg h GLU 30 CO -0.29 0.31 -0.22 -1.49 -1.16 0.00 0.00 179.01 176.16 2wqg h TRP 31 N 0.00 0.43 -0.44 4.33 6.55 0.81 0.02 115.95 127.65 2wqg h TRP 31 Ca -0.00 -0.16 -0.05 0.00 0.95 0.00 0.00 58.89 59.63 2wqg h TRP 31 Cb 0.58 -0.08 -0.02 0.00 -0.86 0.00 0.00 29.16 28.78 2wqg h TRP 31 CO 0.00 0.84 0.07 -0.24 -1.05 0.00 0.00 178.44 178.06 2wqg h VAL 32 N -0.10 1.21 0.07 1.49 3.04 -0.42 0.26 116.25 121.80 2wqg h VAL 32 Ca 0.00 -0.78 -0.00 0.00 -1.01 0.00 0.00 66.70 64.91 2wqg h VAL 32 Cb 0.82 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 2wqg h VAL 32 CO 0.05 0.28 -0.03 1.56 -1.01 0.00 0.00 177.57 178.42 2wqg h GLN 33 N 0.65 -0.09 -0.60 4.17 7.50 -1.24 0.44 115.11 125.95 2wqg h GLN 33 Ca 0.14 0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.22 2wqg h GLN 33 Cb 0.30 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.83 2wqg h GLN 33 CO 0.00 0.28 0.07 0.07 -1.50 0.00 0.00 178.83 177.75 2wqg h ARG 34 N -0.47 1.01 0.15 1.46 0.11 -0.80 -0.99 114.38 114.84 2wqg h ARG 34 Ca -0.01 -0.29 -0.01 0.00 0.10 0.00 0.00 59.98 59.78 2wqg h ARG 34 Cb 0.41 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.38 2wqg h ARG 34 CO 0.02 0.97 -0.07 -0.07 0.10 0.00 0.00 179.97 180.91 2wqg h LEU 35 N 0.91 -0.17 -1.30 0.08 3.38 -0.51 0.33 115.31 118.04 2wqg h LEU 35 Ca 0.18 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.17 2wqg h LEU 35 Cb 0.47 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2wqg h LEU 35 CO 0.02 -0.00 0.56 0.40 0.09 0.00 0.00 178.44 179.50 2wqg h ILE 36 N -0.32 0.88 -0.05 1.22 2.04 -0.81 0.41 117.51 120.88 2wqg h ILE 36 Ca -0.02 -0.25 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 2wqg h ILE 36 Cb 0.26 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2wqg h ILE 36 CO 0.03 0.13 -0.62 0.50 0.00 0.00 0.00 178.15 178.20 2wqg h LYS 37 N 0.72 0.17 -0.29 2.37 3.64 -0.68 -0.66 116.57 121.83 2wqg h LYS 37 Ca 0.42 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 2wqg h LYS 37 Cb 0.61 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2wqg h LYS 37 CO -0.18 0.73 -0.02 0.22 -2.27 0.00 0.00 179.45 177.93 2wqg h ASP 38 N 0.12 0.52 0.57 4.20 3.58 0.37 -0.11 116.42 125.67 2wqg h ASP 38 Ca -0.01 -0.33 -0.13 0.00 0.42 0.00 0.00 57.03 56.99 2wqg h ASP 38 Cb 1.11 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 2wqg h ASP 38 CO 0.09 0.72 -0.59 0.44 -2.88 0.00 0.00 179.24 177.02 2wqg h ASP 39 N 0.31 0.02 1.53 2.28 3.45 -0.79 -2.87 116.42 120.36 2wqg h ASP 39 Ca 0.08 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.50 2wqg h ASP 39 Cb 0.47 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.23 2wqg h ASP 39 CO 0.02 0.61 -0.14 -0.33 -1.57 0.00 0.00 179.24 177.83 2wqg h GLU 40 N 0.02 0.00 0.00 3.56 5.08 -0.91 -3.18 114.58 119.14 2wqg h GLU 40 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wqg h GLU 40 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2wqg h GLU 40 CO 0.08 0.14 0.28 0.93 -1.00 0.00 0.00 179.01 179.43 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 5.08 -0.77 0.44 114.58 121.66 2wqg h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wqg h GLU 41 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2wqg h GLU 41 CO 0.02 0.00 -1.28 -1.13 -1.00 0.00 0.00 179.01 175.61 2wqg n SER 42 N -2.57 0.85 -2.39 1.42 3.41 -1.20 -3.87 113.62 109.26 2wqg n SER 42 Ca -0.02 -0.50 -0.12 0.00 -0.26 0.00 0.00 58.87 57.98 2wqg n SER 42 Cb 0.31 1.38 -0.01 0.00 -0.26 0.00 0.00 64.21 65.63 2wqg n SER 42 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2wqg n LYS 43 N -1.74 -2.20 -2.67 4.33 4.81 0.15 -0.36 118.16 120.48 2wqg n LYS 43 Ca 0.00 0.59 -0.22 0.00 -0.87 0.00 0.00 58.31 57.81 2wqg n LYS 43 Cb 0.36 -5.17 0.01 0.00 0.02 0.00 0.00 35.03 30.26 2wqg n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wqg n GLY 44 N -0.77 -0.51 1.31 3.14 0.00 -1.26 -4.77 105.19 102.32 2wqg n GLY 44 Ca -0.14 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2wqg n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wqg n GLU 45 N -3.47 0.00 -4.12 1.61 1.02 0.51 -5.13 120.64 111.06 2wqg n GLU 45 Ca -0.19 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.76 2wqg n GLU 45 Cb 0.66 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.92 2wqg n GLU 45 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2wqg s SER 46 N -1.72 0.78 0.23 1.62 0.15 -0.63 -5.09 113.70 109.05 2wqg s SER 46 Ca 0.00 -0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.44 2wqg s SER 46 Cb 0.00 -0.37 -0.07 0.00 -1.71 0.00 0.00 66.02 63.87 2wqg s SER 46 CO 0.00 -0.05 0.57 -0.70 1.20 0.00 0.00 173.24 174.26 2wqg s GLU 47 N 0.83 3.85 -0.32 5.44 2.12 -1.26 -4.20 118.70 125.16 2wqg s GLU 47 Ca -0.10 0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.65 2wqg s GLU 47 Cb -0.13 -2.66 0.66 0.00 0.26 0.00 0.00 34.13 32.26 2wqg s GLU 47 CO -0.00 0.32 1.74 1.33 -0.54 0.00 0.00 175.26 178.11 2wqg n VAL 48 N -0.04 2.78 -2.65 3.70 0.24 -1.25 -4.59 118.33 116.52 2wqg n VAL 48 Ca 0.00 -1.53 -0.04 0.00 -2.04 0.00 0.00 64.34 60.73 2wqg n VAL 48 Cb 0.52 -0.43 0.06 0.00 -1.47 0.00 0.00 33.84 32.52 2wqg n VAL 48 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wqg n SER 49 N -0.33 -1.10 -3.28 -1.34 3.41 -1.26 -5.06 113.62 104.65 2wqg n SER 49 Ca 0.42 -1.04 -0.27 0.00 -0.26 0.00 0.00 58.87 57.71 2wqg n SER 49 Cb 1.37 0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 65.86 2wqg n SER 49 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2wqg n PRO 50 N 2.07 2.00 0.00 4.33 -0.04 -1.26 -5.16 135.00 136.94 2wqg n PRO 50 Ca 0.06 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 2wqg n PRO 50 Cb 0.69 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 2wqg n PRO 50 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50