#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vib n SER 2 N 0.00 3.90 -4.58 0.00 2.88 -1.26 -4.86 113.62 109.70 1vib n SER 2 Ca 0.00 -2.05 -0.37 0.00 -1.33 0.00 0.00 58.87 55.12 1vib n SER 2 Cb 0.00 -0.49 -0.11 0.00 -0.75 0.00 0.00 64.21 62.86 1vib n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vib s ALA 3 N -1.15 3.47 -1.13 -1.46 0.00 -1.26 -4.98 121.76 115.25 1vib s ALA 3 Ca 0.48 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 1vib s ALA 3 Cb 0.26 -2.33 0.25 0.00 0.00 0.00 0.00 23.12 21.30 1vib s ALA 3 CO 0.31 -0.41 2.01 -2.37 0.00 0.00 0.00 175.76 175.30 1vib n THR 4 N 4.76 5.83 0.01 0.00 5.66 -1.26 -4.33 114.28 124.95 1vib n THR 4 Ca -0.15 -5.44 -0.00 0.00 -3.05 0.00 0.00 64.05 55.41 1vib n THR 4 Cb 0.52 -1.73 -0.00 0.00 -1.55 0.00 0.00 70.33 67.57 1vib n THR 4 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1vib n TRP 5 N 0.54 0.00 0.01 1.09 7.02 -1.26 -4.74 117.44 120.10 1vib n TRP 5 Ca 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 57.00 1vib n TRP 5 Cb 0.26 -0.02 0.01 0.00 -2.42 0.00 0.00 31.31 29.14 1vib n TRP 5 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vib n GLY 6 N 3.31 -0.21 0.54 6.99 0.00 -1.26 -0.20 105.19 114.35 1vib n GLY 6 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1vib n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vib n ALA 7 N -1.21 2.55 -0.10 4.61 0.00 -1.26 -4.08 120.51 121.02 1vib n ALA 7 Ca -0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 53.44 52.79 1vib n ALA 7 Cb 0.31 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 1vib n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vib n ALA 8 N 0.30 1.09 -2.61 0.00 0.00 0.71 -5.08 120.51 114.92 1vib n ALA 8 Ca 0.18 -0.88 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 1vib n ALA 8 Cb 0.36 0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 1vib n ALA 8 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1vib s TYR 9 N -2.73 3.24 0.00 0.00 -0.85 -1.25 -5.10 117.35 110.66 1vib s TYR 9 Ca -0.31 -0.69 0.00 0.00 -0.52 0.00 0.00 57.07 55.55 1vib s TYR 9 Cb 0.07 -2.52 0.00 0.00 0.38 0.00 0.00 41.96 39.90 1vib s TYR 9 CO 0.43 -0.59 0.00 0.00 -1.52 0.00 0.00 175.55 173.87 1vib n ALA 11 N 5.09 0.00 -0.12 9.51 0.00 -1.26 -4.58 120.51 129.15 1vib n ALA 11 Ca -0.12 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.59 1vib n ALA 11 Cb 0.47 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.51 1vib n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vib n GLU 13 N -3.48 0.62 0.02 0.00 0.00 -1.26 -4.47 120.64 112.07 1vib n GLU 13 Ca 0.18 -0.14 -0.18 0.00 0.00 0.00 0.00 57.16 57.03 1vib n GLU 13 Cb 1.20 -1.45 -0.14 0.00 0.00 0.00 0.00 31.44 31.04 1vib n GLU 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1vib h ASN 14 N 0.00 0.35 -0.70 4.31 -0.26 -0.11 -3.25 115.58 115.91 1vib h ASN 14 Ca 0.00 -0.66 0.15 0.00 -0.56 0.00 0.00 56.30 55.23 1vib h ASN 14 Cb 0.79 -0.11 -0.13 0.00 -1.06 0.00 0.00 38.32 37.81 1vib h ASN 14 CO 0.00 1.58 -0.12 -0.55 -1.06 0.00 0.00 177.43 177.28 1vib h ASN 15 N 0.06 -0.55 1.32 5.81 7.08 -1.16 0.62 115.58 128.77 1vib h ASN 15 Ca -0.34 0.20 -0.03 0.00 -3.08 0.00 0.00 56.30 53.05 1vib h ASN 15 Cb 2.04 0.40 -0.00 0.00 -2.08 0.00 0.00 38.32 38.67 1vib h ASN 15 CO 0.12 -0.21 -0.16 0.00 -2.08 0.00 0.00 177.43 175.10 1vib h ARG 17 N 0.00 0.19 0.70 0.00 9.65 0.09 0.25 114.38 125.26 1vib h ARG 17 Ca -0.00 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.74 1vib h ARG 17 Cb 0.87 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.46 1vib h ARG 17 CO 0.02 0.64 -0.34 0.87 2.80 0.00 0.00 179.97 183.96 1vib h LYS 18 N -0.24 -0.91 -0.73 0.20 1.57 -0.85 -2.35 116.57 113.26 1vib h LYS 18 Ca 0.01 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.99 1vib h LYS 18 Cb 0.61 0.21 -0.14 0.00 0.08 0.00 0.00 32.23 32.98 1vib h LYS 18 CO 0.02 -0.59 -0.23 -0.22 -0.57 0.00 0.00 179.45 177.86 1vib h LYS 19 N -0.99 -0.04 -0.65 3.15 1.63 -0.76 0.80 116.57 119.71 1vib h LYS 19 Ca -0.10 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.84 1vib h LYS 19 Cb 0.73 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.27 1vib h LYS 19 CO 0.16 -0.02 0.09 -0.92 -3.45 0.00 0.00 179.45 175.30 1vib h TYR 20 N -0.04 0.12 0.00 1.91 3.20 -0.19 1.63 116.97 123.60 1vib h TYR 20 Ca 0.33 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.24 1vib h TYR 20 Cb 0.56 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1vib h TYR 20 CO -0.62 -0.11 0.00 -0.44 -1.64 0.00 0.00 178.16 175.35 1vib h ASP 21 N 0.20 0.00 -0.29 -2.11 3.32 0.17 -2.55 116.42 115.16 1vib h ASP 21 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1vib h ASP 21 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1vib h ASP 21 CO -0.49 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.21 1vib n LEU 22 N -2.59 3.01 -0.03 1.55 4.77 0.24 -4.42 117.00 119.52 1vib n LEU 22 Ca 0.04 -2.21 -0.03 0.00 -0.03 0.00 0.00 56.01 53.77 1vib n LEU 22 Cb 0.39 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1vib n LEU 22 CO 0.28 0.70 -0.71 0.00 -1.33 0.00 0.00 177.39 176.33 1vib s ILE 24 N -2.15 3.34 -0.89 0.00 1.01 -0.97 -4.67 121.20 116.86 1vib s ILE 24 Ca -0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 1vib s ILE 24 Cb 0.02 -4.10 0.34 0.00 0.01 0.00 0.00 42.46 38.73 1vib s ILE 24 CO 0.24 -0.65 1.91 0.54 0.00 0.00 0.00 174.94 176.97 1vib n ARG 25 N 8.48 3.71 0.00 2.79 3.00 -1.26 -4.77 116.66 128.61 1vib n ARG 25 Ca 0.43 -3.97 0.00 0.00 -0.01 0.00 0.00 57.85 54.30 1vib n ARG 25 Cb 0.46 -2.34 0.00 0.00 0.00 0.00 0.00 32.46 30.59 1vib n ARG 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vib n GLN 27 N -0.68 1.03 0.00 0.00 0.00 -1.26 -4.04 117.38 112.44 1vib n GLN 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1vib n GLN 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1vib n GLN 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1vib n GLY 28 N 5.00 0.00 0.10 2.61 0.00 -1.26 1.00 105.19 112.64 1vib n GLY 28 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1vib n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vib n LYS 29 N -0.78 0.55 -0.88 1.61 2.85 -1.25 -3.91 118.16 116.34 1vib n LYS 29 Ca 0.00 0.11 -0.06 0.00 -1.05 0.00 0.00 58.31 57.31 1vib n LYS 29 Cb 0.00 -1.79 0.19 0.00 -0.65 0.00 0.00 35.03 32.78 1vib n LYS 29 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1vib n TRP 30 N -2.56 1.18 -1.65 5.58 7.02 0.28 -4.91 117.44 122.39 1vib n TRP 30 Ca 0.00 -1.68 -0.20 0.00 -1.02 0.00 0.00 57.50 54.61 1vib n TRP 30 Cb 0.53 -0.51 -0.10 0.00 -2.42 0.00 0.00 31.31 28.81 1vib n TRP 30 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1vib n ALA 31 N -1.11 0.69 0.00 6.99 0.00 0.95 0.33 120.51 128.37 1vib n ALA 31 Ca 0.34 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 51.31 1vib n ALA 31 Cb 1.02 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 17.06 1vib n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vib n GLY 32 N 5.97 1.06 0.68 0.00 0.00 -1.26 -4.90 105.19 106.73 1vib n GLY 32 Ca 0.42 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.56 1vib n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vib n LYS 33 N -0.39 1.74 -0.24 1.61 4.76 0.15 -4.56 118.16 121.23 1vib n LYS 33 Ca 0.00 -1.36 -0.03 0.00 -2.87 0.00 0.00 58.31 54.04 1vib n LYS 33 Cb 0.00 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.70 1vib n LYS 33 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1vib n ARG 34 N 0.56 -0.19 -0.38 1.97 0.00 -0.64 0.39 116.66 118.37 1vib n ARG 34 Ca 0.13 0.90 0.32 0.00 -0.00 0.00 0.00 57.85 59.20 1vib n ARG 34 Cb 0.50 -1.33 0.53 0.00 0.00 0.00 0.00 32.46 32.17 1vib n ARG 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vib n GLY 35 N -1.22 -0.66 0.00 5.14 0.00 -1.26 -0.69 105.19 106.50 1vib n GLY 35 Ca 0.04 0.59 0.01 0.00 0.00 0.00 0.00 46.02 46.66 1vib n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vib n LYS 36 N -4.23 3.17 -0.30 1.61 5.02 0.16 -4.65 118.16 118.94 1vib n LYS 36 Ca 0.32 -0.01 0.04 0.00 -2.02 0.00 0.00 58.31 56.64 1vib n LYS 36 Cb 1.24 -0.81 0.12 0.00 -0.02 0.00 0.00 35.03 35.56 1vib n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vib n ALA 38 N -3.36 -0.06 -0.30 0.00 0.00 -1.23 -1.85 120.51 113.71 1vib n ALA 38 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.52 1vib n ALA 38 Cb 0.45 0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 1vib n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vib n ALA 39 N -0.89 -0.36 -0.41 0.00 0.00 -0.98 -0.50 120.51 117.36 1vib n ALA 39 Ca 0.00 0.65 -0.11 0.00 0.00 0.00 0.00 53.44 53.98 1vib n ALA 39 Cb 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.18 1vib n ALA 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1vib h HIS 40 N 0.00 -1.88 -0.39 0.00 2.76 -1.11 0.36 115.15 114.89 1vib h HIS 40 Ca 0.16 0.13 -0.08 0.00 -2.20 0.00 0.00 60.37 58.38 1vib h HIS 40 Cb 0.34 0.95 -0.01 0.00 1.55 0.00 0.00 27.41 30.23 1vib h HIS 40 CO -0.72 -0.37 -0.06 0.00 -1.30 0.00 0.00 177.93 175.48 1vib h ILE 42 N 0.54 0.61 -1.31 0.00 2.10 0.48 0.18 117.51 120.11 1vib h ILE 42 Ca 0.10 -0.01 0.38 0.00 1.08 0.00 0.00 64.86 66.42 1vib h ILE 42 Cb 0.57 0.59 -0.05 0.00 -1.09 0.00 0.00 36.82 36.83 1vib h ILE 42 CO 0.03 0.00 1.00 0.40 -1.08 0.00 0.00 178.15 178.51 1vib h ILE 43 N 0.02 0.26 0.29 2.19 2.04 -0.92 -0.23 117.51 121.16 1vib h ILE 43 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1vib h ILE 43 Cb 0.30 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1vib h ILE 43 CO -0.40 0.00 -0.14 1.56 0.00 0.00 0.00 178.15 179.17 1vib h GLN 44 N 0.00 -0.37 -0.08 2.37 7.50 -0.70 0.29 115.11 124.13 1vib h GLN 44 Ca 0.62 0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.82 1vib h GLN 44 Cb 2.62 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 30.24 1vib h GLN 44 CO -0.01 -0.08 0.29 1.57 -1.50 0.00 0.00 178.83 179.10 1vib h LYS 45 N -1.00 0.00 0.00 1.46 2.10 -1.06 -0.97 116.57 117.11 1vib h LYS 45 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1vib h LYS 45 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1vib h LYS 45 CO 0.07 0.00 -0.18 -1.71 -2.00 0.00 0.00 179.45 175.62 1vib n ASN 46 N -3.13 0.60 -0.26 7.07 2.85 -0.88 -4.18 115.26 117.33 1vib n ASN 46 Ca -0.00 0.35 0.13 0.00 -0.11 0.00 0.00 54.58 54.95 1vib n ASN 46 Cb 0.36 -0.62 0.25 0.00 1.24 0.00 0.00 39.78 41.02 1vib n ASN 46 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1vib n ASN 47 N -3.04 -0.04 -0.27 1.20 4.13 0.10 0.85 115.26 118.19 1vib n ASN 47 Ca -0.03 1.29 0.05 0.00 1.68 0.00 0.00 54.58 57.57 1vib n ASN 47 Cb 0.09 -0.49 0.14 0.00 -1.54 0.00 0.00 39.78 37.99 1vib n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vib h LYS 49 N 0.06 0.00 -0.52 0.00 1.57 0.28 0.26 116.57 118.22 1vib h LYS 49 Ca 0.41 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.09 1vib h LYS 49 Cb 0.70 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 1vib h LYS 49 CO -0.73 0.00 0.10 0.41 -0.57 0.00 0.00 179.45 178.66 1vib n GLY 50 N -1.40 3.77 0.59 3.86 0.00 0.80 -3.09 105.19 109.72 1vib n GLY 50 Ca 0.04 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 1vib n GLY 50 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vib n LYS 51 N -0.20 0.18 -0.00 1.61 2.85 0.92 -4.80 118.16 118.72 1vib n LYS 51 Ca 0.32 0.07 0.09 0.00 -1.05 0.00 0.00 58.31 57.74 1vib n LYS 51 Cb 1.17 -0.75 -0.13 0.00 -0.65 0.00 0.00 35.03 34.67 1vib n LYS 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1vib s LYS 53 N -3.03 2.17 -0.11 0.00 1.02 -1.18 -5.04 119.74 113.57 1vib s LYS 53 Ca 0.02 -2.25 -0.01 0.00 0.02 0.00 0.00 55.97 53.74 1vib s LYS 53 Cb 0.14 -1.67 -0.07 0.00 -0.52 0.00 0.00 37.83 35.71 1vib s LYS 53 CO 0.81 -0.33 -0.12 0.36 -0.92 0.00 0.00 175.35 175.15 1vib n LYS 54 N -1.30 0.27 0.00 1.68 0.00 -1.23 -4.22 118.16 113.37 1vib n LYS 54 Ca -0.13 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1vib n LYS 54 Cb 0.66 -1.12 0.00 0.00 -0.00 0.00 0.00 35.03 34.57 1vib n LYS 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79