#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 2.36 -3.97 0.00 2.88 -1.26 -5.06 113.62 108.58 1vib n SER 2 Ca 0.00 -1.82 -0.42 0.00 -1.33 0.00 0.00 58.87 55.30 1vib n SER 2 Cb 0.00 0.16 0.01 0.00 -0.75 0.00 0.00 64.21 63.63 1vib n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vib n ALA 3 N -2.39 5.17 -3.64 -1.46 0.00 -1.26 -4.93 120.51 112.00 1vib n ALA 3 Ca -0.08 -4.80 -0.36 0.00 0.00 0.00 0.00 53.44 48.20 1vib n ALA 3 Cb 0.24 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.33 1vib n ALA 3 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1vib s THR 4 N -2.84 4.29 -0.14 0.00 -4.23 -1.26 -4.82 115.64 106.64 1vib s THR 4 Ca 0.32 -3.74 0.19 0.00 -1.18 0.00 0.00 61.69 57.27 1vib s THR 4 Cb 0.06 -3.67 -0.27 0.00 1.34 0.00 0.00 72.50 69.95 1vib s THR 4 CO 0.10 -1.06 0.25 0.79 -0.54 0.00 0.00 174.62 174.16 1vib n TRP 5 N 2.49 0.08 0.28 3.99 7.02 -1.26 -4.13 117.44 125.91 1vib n TRP 5 Ca 0.20 0.03 0.16 0.00 -1.02 0.00 0.00 57.50 56.86 1vib n TRP 5 Cb 0.37 -0.86 0.78 0.00 -2.42 0.00 0.00 31.31 29.19 1vib n TRP 5 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1vib h GLY 6 N 3.97 0.00 -1.14 6.99 0.00 -1.98 0.18 103.07 111.09 1vib h GLY 6 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1vib h GLY 6 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 1vib n ALA 7 N -1.92 2.48 -0.13 3.60 0.00 -1.26 -3.93 120.51 119.36 1vib n ALA 7 Ca -0.01 -0.61 -0.25 0.00 0.00 0.00 0.00 53.44 52.57 1vib n ALA 7 Cb 0.12 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 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 0.51 1.33 -3.38 0.00 0.00 0.64 -5.02 120.51 114.59 1vib n ALA 8 Ca 0.15 -1.06 -0.46 0.00 0.00 0.00 0.00 53.44 52.07 1vib n ALA 8 Cb 0.34 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.49 3.70 0.00 0.00 -0.85 -1.20 -5.07 117.35 111.43 1vib s TYR 9 Ca -0.36 -2.04 0.00 0.00 -0.52 0.00 0.00 57.07 54.14 1vib s TYR 9 Cb 0.13 -3.74 0.00 0.00 0.38 0.00 0.00 41.96 38.72 1vib s TYR 9 CO 0.50 -0.97 0.00 0.00 -1.52 0.00 0.00 175.55 173.56 1vib n ALA 11 N 3.98 0.00 -0.03 9.51 0.00 -1.26 -4.59 120.51 128.12 1vib n ALA 11 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1vib n ALA 11 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.75 -0.01 -0.09 0.00 4.07 -1.26 -0.45 120.64 120.15 1vib n GLU 13 Ca 0.00 1.11 -0.13 0.00 -0.06 0.00 0.00 57.16 58.08 1vib n GLU 13 Cb 0.00 -2.47 -0.06 0.00 -0.06 0.00 0.00 31.44 28.85 1vib n GLU 13 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1vib n ASN 14 N -4.08 1.85 -0.21 4.31 3.02 -0.22 -3.52 115.26 116.42 1vib n ASN 14 Ca 0.43 0.51 -0.10 0.00 -0.03 0.00 0.00 54.58 55.39 1vib n ASN 14 Cb 1.90 -0.89 -0.06 0.00 -0.61 0.00 0.00 39.78 40.12 1vib n ASN 14 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 1vib h ASN 15 N -1.00 -1.69 1.30 6.41 -1.24 0.15 0.20 115.58 119.70 1vib h ASN 15 Ca -0.18 0.25 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1vib h ASN 15 Cb 0.92 0.74 0.00 0.00 0.73 0.00 0.00 38.32 40.71 1vib h ASN 15 CO -0.11 -0.35 0.00 0.00 -1.29 0.00 0.00 177.43 175.68 1vib h ARG 17 N 0.00 0.44 -0.15 0.00 2.43 -0.77 -1.53 114.38 114.80 1vib h ARG 17 Ca 0.00 -0.58 -0.05 0.00 -0.81 0.00 0.00 59.98 58.54 1vib h ARG 17 Cb 0.65 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1vib h ARG 17 CO 0.00 1.23 -0.10 0.87 -1.51 0.00 0.00 179.97 180.46 1vib h LYS 18 N -0.08 0.33 -0.55 0.20 1.57 -0.88 -3.03 116.57 114.13 1vib h LYS 18 Ca -0.13 -0.15 0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1vib h LYS 18 Cb 1.59 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.79 1vib h LYS 18 CO 0.16 0.68 -0.31 -0.22 -0.57 0.00 0.00 179.45 179.19 1vib h LYS 19 N -0.02 -0.16 -0.63 3.15 1.63 -0.95 0.83 116.57 120.42 1vib h LYS 19 Ca 0.03 0.01 0.18 0.00 -0.85 0.00 0.00 60.65 60.02 1vib h LYS 19 Cb 0.59 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 1vib h LYS 19 CO 0.03 -0.11 0.52 -0.92 -3.45 0.00 0.00 179.45 175.52 1vib h TYR 20 N -0.16 0.00 0.00 1.91 3.20 -1.16 1.63 116.97 122.39 1vib h TYR 20 Ca 0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1vib h TYR 20 Cb 0.54 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1vib h TYR 20 CO -0.60 0.00 -1.05 -0.25 -1.64 0.00 0.00 178.16 174.62 1vib n ASP 21 N -4.04 0.61 -0.51 -2.11 9.92 0.23 -3.19 116.55 117.45 1vib n ASP 21 Ca 0.12 -0.17 0.06 0.00 -0.53 0.00 0.00 54.79 54.27 1vib n ASP 21 Cb 0.76 0.80 0.07 0.00 -0.64 0.00 0.00 41.12 42.12 1vib n ASP 21 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1vib n LEU 22 N -2.02 2.20 -0.05 0.64 4.77 0.22 -4.46 117.00 118.30 1vib n LEU 22 Ca 0.02 -1.25 -0.05 0.00 -0.03 0.00 0.00 56.01 54.70 1vib n LEU 22 Cb 0.45 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.38 1vib n LEU 22 CO 0.40 0.46 -0.86 0.00 -1.33 0.00 0.00 177.39 176.06 1vib s ILE 24 N -2.33 3.39 -0.86 0.00 1.01 -1.19 -4.66 121.20 116.56 1vib s ILE 24 Ca -0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 1vib s ILE 24 Cb 0.04 -4.14 0.35 0.00 0.01 0.00 0.00 42.46 38.72 1vib s ILE 24 CO 0.48 -0.75 1.96 0.54 0.00 0.00 0.00 174.94 177.17 1vib n ARG 25 N 8.52 3.17 0.00 2.79 3.00 -1.26 -4.76 116.66 128.12 1vib n ARG 25 Ca 0.43 -3.73 0.00 0.00 -0.01 0.00 0.00 57.85 54.53 1vib n ARG 25 Cb 0.46 -2.30 0.00 0.00 0.00 0.00 0.00 32.46 30.63 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 -0.59 2.08 0.00 0.00 0.00 -1.26 -4.10 117.38 113.51 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 0.09 2.61 0.00 -1.26 0.10 105.19 111.72 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 -0.45 0.47 -1.22 1.61 2.85 -1.26 -3.87 118.16 116.31 1vib n LYS 29 Ca 0.00 0.08 -0.13 0.00 -1.05 0.00 0.00 58.31 57.21 1vib n LYS 29 Cb 0.00 -1.74 0.13 0.00 -0.65 0.00 0.00 35.03 32.77 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 -2.40 1.75 -1.89 5.58 7.02 0.28 -4.94 117.44 122.84 1vib n TRP 30 Ca 0.01 -1.97 -0.23 0.00 -1.02 0.00 0.00 57.50 54.30 1vib n TRP 30 Cb 0.50 -0.55 -0.08 0.00 -2.42 0.00 0.00 31.31 28.77 1vib n TRP 30 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1vib s ALA 31 N -3.43 1.30 0.00 6.99 0.00 0.31 -0.29 121.76 126.64 1vib s ALA 31 Ca 0.48 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1vib s ALA 31 Cb 0.42 -4.66 0.00 0.00 0.00 0.00 0.00 23.12 18.88 1vib s ALA 31 CO 0.00 -5.71 0.00 0.41 0.00 0.00 0.00 175.76 170.46 1vib n GLY 32 N 6.15 1.25 0.94 0.00 0.00 -1.26 -4.94 105.19 107.34 1vib n GLY 32 Ca 0.43 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.84 2.94 -1.14 1.61 4.76 0.60 -5.02 118.16 121.06 1vib n LYS 33 Ca 0.00 -2.87 -0.33 0.00 -2.87 0.00 0.00 58.31 52.23 1vib n LYS 33 Cb 0.00 -1.86 0.12 0.00 -1.84 0.00 0.00 35.03 31.45 1vib n LYS 33 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1vib s ARG 34 N -2.85 1.66 0.00 1.97 6.06 -1.21 -0.10 118.95 124.48 1vib s ARG 34 Ca 0.43 1.76 0.00 0.00 -2.50 0.00 0.00 55.73 55.42 1vib s ARG 34 Cb 0.35 -1.78 0.00 0.00 0.06 0.00 0.00 34.95 33.58 1vib s ARG 34 CO 0.09 -2.20 0.00 0.41 -2.50 0.00 0.00 175.30 171.10 1vib n GLY 35 N 0.48 2.02 0.10 8.12 0.00 -1.26 -4.42 105.19 110.22 1vib n GLY 35 Ca 0.13 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 1vib n GLY 35 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vib h LYS 36 N 0.00 0.14 -0.74 1.61 3.64 -1.82 -2.44 116.57 116.97 1vib h LYS 36 Ca 0.00 -0.24 0.14 0.00 -1.27 0.00 0.00 60.65 59.28 1vib h LYS 36 Cb 0.00 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 31.77 1vib h LYS 36 CO 0.00 1.12 -0.23 0.00 -2.27 0.00 0.00 179.45 178.07 1vib n ALA 38 N -3.25 -0.14 -0.38 0.00 0.00 -1.24 -1.18 120.51 114.33 1vib n ALA 38 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 1vib n ALA 38 Cb 0.38 0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.45 -0.36 -0.26 0.00 0.00 -0.92 -0.27 120.51 117.25 1vib n ALA 39 Ca 0.00 0.86 -0.10 0.00 0.00 0.00 0.00 53.44 54.20 1vib n ALA 39 Cb 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.51 -0.33 0.00 6.17 -0.74 0.15 115.15 118.88 1vib h HIS 40 Ca 0.24 0.09 -0.02 0.00 0.71 0.00 0.00 60.37 61.39 1vib h HIS 40 Cb 0.47 0.74 -0.01 0.00 2.52 0.00 0.00 27.41 31.13 1vib h HIS 40 CO -0.90 -0.34 0.14 0.00 0.71 0.00 0.00 177.93 177.55 1vib h ILE 42 N 0.40 0.15 -0.21 0.00 1.08 0.49 0.26 117.51 119.67 1vib h ILE 42 Ca 0.11 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.64 1vib h ILE 42 Cb 0.16 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 1vib h ILE 42 CO -0.01 0.00 0.54 0.40 -0.69 0.00 0.00 178.15 178.39 1vib h ILE 43 N -0.30 0.10 0.26 -0.67 2.04 -0.67 -0.88 117.51 117.39 1vib h ILE 43 Ca 0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1vib h ILE 43 Cb 0.57 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1vib h ILE 43 CO -0.57 0.00 -0.12 1.56 0.00 0.00 0.00 178.15 179.02 1vib h GLN 44 N 0.00 -0.33 -0.59 2.37 7.50 -0.51 0.27 115.11 123.81 1vib h GLN 44 Ca 0.10 0.02 0.17 0.00 0.50 0.00 0.00 58.65 59.44 1vib h GLN 44 Cb 1.18 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.76 1vib h GLN 44 CO -0.00 -0.03 0.59 1.57 -1.50 0.00 0.00 178.83 179.45 1vib h LYS 45 N -0.99 0.00 0.00 1.46 2.10 -1.17 0.96 116.57 118.94 1vib h LYS 45 Ca -0.04 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 1vib h LYS 45 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 1vib h LYS 45 CO 0.06 0.00 -0.73 0.09 -2.00 0.00 0.00 179.45 176.86 1vib n ASN 46 N -3.76 1.83 -0.32 7.07 3.02 -1.08 -4.21 115.26 117.80 1vib n ASN 46 Ca 0.12 0.57 0.20 0.00 -0.03 0.00 0.00 54.58 55.43 1vib n ASN 46 Cb 0.81 -0.88 0.39 0.00 -0.61 0.00 0.00 39.78 39.48 1vib n ASN 46 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 1vib h ASN 47 N -1.00 -0.02 -0.94 6.41 -1.24 0.09 0.26 115.58 119.14 1vib h ASN 47 Ca -0.09 0.24 0.17 0.00 0.71 0.00 0.00 56.30 57.34 1vib h ASN 47 Cb 0.72 0.33 -0.17 0.00 0.73 0.00 0.00 38.32 39.93 1vib h ASN 47 CO -0.05 -0.29 -0.30 0.00 -1.29 0.00 0.00 177.43 175.50 1vib h LYS 49 N -0.01 0.00 -0.28 0.00 1.57 -0.65 0.22 116.57 117.42 1vib h LYS 49 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1vib h LYS 49 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1vib h LYS 49 CO -0.96 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 178.33 1vib n GLY 50 N -1.64 1.83 0.07 3.86 0.00 0.17 -3.30 105.19 106.18 1vib n GLY 50 Ca 0.16 -0.41 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 1vib n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vib n LYS 51 N 0.67 0.41 -0.01 1.61 4.81 0.73 -4.68 118.16 121.71 1vib n LYS 51 Ca 0.11 0.30 0.10 0.00 -0.87 0.00 0.00 58.31 57.95 1vib n LYS 51 Cb 0.41 -1.37 -0.14 0.00 0.02 0.00 0.00 35.03 33.95 1vib n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vib s LYS 53 N -3.22 2.53 0.42 0.00 1.02 -1.21 -4.89 119.74 114.39 1vib s LYS 53 Ca -0.01 -1.56 0.08 0.00 0.02 0.00 0.00 55.97 54.49 1vib s LYS 53 Cb 0.14 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 1vib s LYS 53 CO 0.85 -0.33 0.40 0.15 -0.92 0.00 0.00 175.35 175.50 1vib s LYS 54 N -4.24 2.54 0.00 1.68 3.01 -1.25 -4.26 119.74 117.22 1vib s LYS 54 Ca 0.49 -1.54 0.00 0.00 -1.01 0.00 0.00 55.97 53.91 1vib s LYS 54 Cb -0.04 -2.40 0.00 0.00 -1.01 0.00 0.00 37.83 34.38 1vib s LYS 54 CO 0.29 -0.23 0.43 -1.91 0.51 0.00 0.00 175.35 174.45