#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vib h SER 2 N 0.00 0.24 -3.42 0.00 4.64 -2.09 -3.41 113.55 109.51 1vib h SER 2 Ca 0.00 -0.35 -0.77 0.00 -0.47 0.00 0.00 61.79 60.20 1vib h SER 2 Cb 0.00 -0.08 -0.26 0.00 -0.31 0.00 0.00 62.40 61.76 1vib h SER 2 CO 0.00 1.30 -0.12 0.00 -0.87 0.00 0.00 176.83 177.14 1vib s ALA 3 N -2.63 3.79 -0.90 5.18 0.00 -1.26 -4.99 121.76 120.96 1vib s ALA 3 Ca -0.07 -2.86 -0.01 0.00 0.00 0.00 0.00 51.96 49.02 1vib s ALA 3 Cb 0.08 -3.31 0.24 0.00 0.00 0.00 0.00 23.12 20.13 1vib s ALA 3 CO 0.84 -2.11 0.90 0.25 0.00 0.00 0.00 175.76 175.63 1vib n THR 4 N 4.69 3.34 0.00 0.00 -2.24 -1.26 -4.85 114.28 113.95 1vib n THR 4 Ca -0.02 -5.26 0.00 0.00 -2.27 0.00 0.00 64.05 56.50 1vib n THR 4 Cb 0.43 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.34 1vib n THR 4 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1vib n TRP 5 N 1.98 0.00 0.22 4.78 7.02 -1.26 -4.71 117.44 125.48 1vib n TRP 5 Ca 0.24 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.83 1vib n TRP 5 Cb 0.37 0.00 0.61 0.00 -2.42 0.00 0.00 31.31 29.87 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 0.00 0.00 -0.87 6.99 0.00 -1.97 0.22 103.07 107.44 1vib h GLY 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vib h GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1vib n ALA 7 N -1.75 2.52 -0.13 3.60 0.00 -1.26 -4.03 120.51 119.47 1vib n ALA 7 Ca -0.01 -0.54 -0.27 0.00 0.00 0.00 0.00 53.44 52.62 1vib n ALA 7 Cb 0.24 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 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 0.41 1.31 -3.35 0.00 0.00 0.77 -5.05 120.51 114.59 1vib n ALA 8 Ca 0.17 -1.07 -0.45 0.00 0.00 0.00 0.00 53.44 52.10 1vib n ALA 8 Cb 0.37 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 3.29 0.00 0.00 -0.85 -1.21 -5.07 117.35 111.02 1vib s TYR 9 Ca -0.37 -1.41 0.00 0.00 -0.52 0.00 0.00 57.07 54.77 1vib s TYR 9 Cb 0.13 -3.70 0.00 0.00 0.38 0.00 0.00 41.96 38.77 1vib s TYR 9 CO 0.49 -1.00 0.00 0.00 -1.52 0.00 0.00 175.55 173.52 1vib n ALA 11 N 5.17 0.00 -0.44 9.51 0.00 -1.26 -4.46 120.51 129.04 1vib n ALA 11 Ca -0.13 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.67 1vib n ALA 11 Cb 0.40 0.00 0.66 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 -4.50 0.47 -0.52 0.00 0.00 -1.26 -4.45 120.64 110.39 1vib n GLU 13 Ca 0.34 0.34 0.42 0.00 0.00 0.00 0.00 57.16 58.27 1vib n GLU 13 Cb 1.37 -1.51 0.70 0.00 0.00 0.00 0.00 31.44 32.00 1vib n GLU 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1vib n ASN 14 N -4.43 0.16 -0.20 4.31 5.03 -0.89 0.19 115.26 119.44 1vib n ASN 14 Ca -0.10 1.28 -0.01 0.00 0.87 0.00 0.00 54.58 56.62 1vib n ASN 14 Cb 0.39 -0.63 0.10 0.00 -1.02 0.00 0.00 39.78 38.61 1vib n ASN 14 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1vib h ASN 15 N 0.00 0.25 0.72 6.41 7.08 -0.92 0.25 115.58 129.37 1vib h ASN 15 Ca 0.88 0.07 0.00 0.00 -3.08 0.00 0.00 56.30 54.17 1vib h ASN 15 Cb 3.00 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 39.27 1vib h ASN 15 CO -0.36 0.16 0.00 0.00 -2.08 0.00 0.00 177.43 175.14 1vib h ARG 17 N 0.00 0.32 -0.25 0.00 2.43 -0.49 0.42 114.38 116.81 1vib h ARG 17 Ca 0.00 -0.36 -0.17 0.00 -0.81 0.00 0.00 59.98 58.65 1vib h ARG 17 Cb 0.36 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1vib h ARG 17 CO 0.00 1.06 -0.50 0.87 -1.51 0.00 0.00 179.97 179.88 1vib h LYS 18 N -0.27 0.79 -0.01 0.20 1.57 -1.21 -3.14 116.57 114.49 1vib h LYS 18 Ca -0.06 -0.51 0.03 0.00 -1.87 0.00 0.00 60.65 58.24 1vib h LYS 18 Cb 1.24 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.56 1vib h LYS 18 CO 0.10 1.13 -0.33 -0.22 -0.57 0.00 0.00 179.45 179.56 1vib h LYS 19 N 0.54 -0.46 -1.04 3.15 3.11 -1.06 0.10 116.57 120.91 1vib h LYS 19 Ca 0.01 0.03 0.29 0.00 -2.81 0.00 0.00 60.65 58.17 1vib h LYS 19 Cb 1.11 0.10 -0.13 0.00 -1.00 0.00 0.00 32.23 32.32 1vib h LYS 19 CO 0.11 -0.30 0.63 -0.92 -2.81 0.00 0.00 179.45 176.15 1vib h TYR 20 N -0.47 0.87 0.31 1.91 3.20 -0.89 0.46 116.97 122.36 1vib h TYR 20 Ca 0.06 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1vib h TYR 20 Cb 0.57 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1vib h TYR 20 CO -0.36 -0.04 -0.15 -0.44 -1.64 0.00 0.00 178.16 175.53 1vib h ASP 21 N 0.41 -0.36 -0.92 -2.11 5.19 -1.08 -3.08 116.42 114.47 1vib h ASP 21 Ca 0.68 0.01 0.18 0.00 -0.62 0.00 0.00 57.03 57.28 1vib h ASP 21 Cb 1.55 0.09 -0.07 0.00 0.18 0.00 0.00 39.33 41.08 1vib h ASP 21 CO -0.48 -0.05 0.59 -0.07 -3.12 0.00 0.00 179.24 176.12 1vib h LEU 22 N -0.84 0.55 -2.10 1.55 3.38 -0.40 0.74 115.31 118.19 1vib h LEU 22 Ca -0.04 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1vib h LEU 22 Cb 0.32 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1vib h LEU 22 CO 0.07 0.24 0.08 0.00 0.09 0.00 0.00 178.44 178.91 1vib n ILE 24 N -4.34 2.46 -1.86 0.00 5.41 0.25 -4.68 119.36 116.60 1vib n ILE 24 Ca -0.01 -2.28 -0.38 0.00 1.00 0.00 0.00 62.75 61.08 1vib n ILE 24 Cb 0.19 -2.36 -0.02 0.00 -0.71 0.00 0.00 39.64 36.74 1vib n ILE 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1vib n ARG 25 N 7.19 4.21 0.21 0.38 5.12 -1.26 -4.54 116.66 127.97 1vib n ARG 25 Ca 0.49 -3.18 0.14 0.00 -1.93 0.00 0.00 57.85 53.37 1vib n ARG 25 Cb 0.42 -2.57 0.73 0.00 -1.16 0.00 0.00 32.46 29.88 1vib n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vib s GLN 27 N -3.69 3.31 1.33 0.00 0.00 -1.26 -3.44 119.66 115.90 1vib s GLN 27 Ca -0.03 -0.25 0.00 0.00 -0.00 0.00 0.00 55.36 55.08 1vib s GLN 27 Cb 0.08 -3.06 0.00 0.00 0.00 0.00 0.00 33.01 30.02 1vib s GLN 27 CO 0.24 0.74 0.00 0.41 0.00 0.00 0.00 175.29 176.68 1vib n GLY 28 N 1.79 1.05 0.26 2.60 0.00 -1.26 -3.67 105.19 105.95 1vib n GLY 28 Ca -0.18 0.44 0.03 0.00 0.00 0.00 0.00 46.02 46.32 1vib n GLY 28 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vib h LYS 29 N 0.00 0.12 -0.80 1.61 3.64 -1.87 0.35 116.57 119.62 1vib h LYS 29 Ca 0.00 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.81 1vib h LYS 29 Cb 0.00 -0.03 -0.35 0.00 -0.41 0.00 0.00 32.23 31.45 1vib h LYS 29 CO 0.00 0.08 -0.11 0.91 -2.27 0.00 0.00 179.45 178.06 1vib n TRP 30 N -5.30 2.76 -1.21 1.91 7.02 0.57 -4.94 117.44 118.27 1vib n TRP 30 Ca 0.11 -2.45 -0.17 0.00 -1.02 0.00 0.00 57.50 53.97 1vib n TRP 30 Cb 0.41 -0.77 -0.09 0.00 -2.42 0.00 0.00 31.31 28.44 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 -0.83 0.36 0.00 6.99 0.00 0.11 0.16 120.51 127.30 1vib n ALA 31 Ca 0.50 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1vib n ALA 31 Cb 0.87 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 5.42 0.68 0.87 0.00 0.00 -1.26 -4.90 105.19 106.00 1vib n GLY 32 Ca 0.32 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.25 2.16 -0.17 1.61 4.01 0.12 -4.53 118.16 120.12 1vib n LYS 33 Ca 0.00 -1.73 0.02 0.00 -0.51 0.00 0.00 58.31 56.10 1vib n LYS 33 Cb 0.00 -1.47 0.06 0.00 -0.51 0.00 0.00 35.03 33.11 1vib n LYS 33 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1vib n ARG 34 N 0.99 -0.06 -0.16 1.97 5.12 -1.09 -0.48 116.66 122.96 1vib n ARG 34 Ca 0.17 0.74 0.15 0.00 -1.93 0.00 0.00 57.85 56.98 1vib n ARG 34 Cb 0.50 -1.10 0.27 0.00 -1.16 0.00 0.00 32.46 30.96 1vib n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vib n GLY 35 N -1.29 -0.33 0.00 -0.13 0.00 -1.26 0.04 105.19 102.22 1vib n GLY 35 Ca 0.07 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.82 3.02 -0.23 1.61 5.02 0.37 -4.59 118.16 119.54 1vib n LYS 36 Ca 0.17 -0.10 0.26 0.00 -2.02 0.00 0.00 58.31 56.61 1vib n LYS 36 Cb 0.59 -0.49 0.64 0.00 -0.02 0.00 0.00 35.03 35.76 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 -2.64 0.00 -0.22 0.00 0.00 -1.20 -3.33 120.51 113.12 1vib n ALA 38 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.67 1vib n ALA 38 Cb 0.91 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.43 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 -0.95 0.09 -0.09 0.00 0.00 -1.15 0.85 120.51 119.27 1vib n ALA 39 Ca 0.00 0.65 -0.06 0.00 0.00 0.00 0.00 53.44 54.03 1vib n ALA 39 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.03 -0.03 0.00 2.76 -1.13 -1.11 115.15 115.62 1vib h HIS 40 Ca 0.27 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.30 1vib h HIS 40 Cb 0.42 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 1vib h HIS 40 CO -0.48 -0.06 -0.73 0.00 -1.30 0.00 0.00 177.93 175.36 1vib h ILE 42 N 0.11 1.21 0.00 0.00 2.10 -0.02 0.20 117.51 121.12 1vib h ILE 42 Ca -0.02 -0.42 0.00 0.00 1.08 0.00 0.00 64.86 65.50 1vib h ILE 42 Cb 1.28 -0.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 1vib h ILE 42 CO 0.11 0.22 0.14 -0.29 -1.08 0.00 0.00 178.15 177.25 1vib h ILE 43 N 1.21 0.00 -0.00 2.19 6.09 -1.09 -1.54 117.51 124.37 1vib h ILE 43 Ca 0.34 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.83 1vib h ILE 43 Cb -0.10 0.66 0.00 0.00 0.47 0.00 0.00 36.82 37.84 1vib h ILE 43 CO -0.08 0.00 -0.00 1.56 -3.07 0.00 0.00 178.15 176.55 1vib h GLN 44 N 0.00 0.00 0.00 2.19 7.50 -0.70 0.24 115.11 124.35 1vib h GLN 44 Ca 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1vib h GLN 44 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.81 1vib h GLN 44 CO 0.00 0.75 0.00 0.36 -1.50 0.00 0.00 178.83 178.44 1vib n LYS 45 N -4.73 0.03 0.00 1.46 2.85 -0.63 -2.70 118.16 114.45 1vib n LYS 45 Ca -0.09 0.33 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1vib n LYS 45 Cb 0.37 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 1vib n LYS 45 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1vib n ASN 46 N -1.62 0.00 -0.17 -5.58 2.85 -0.89 -4.28 115.26 105.57 1vib n ASN 46 Ca 0.02 0.18 -0.00 0.00 -0.11 0.00 0.00 54.58 54.67 1vib n ASN 46 Cb 0.14 -0.40 0.02 0.00 1.24 0.00 0.00 39.78 40.78 1vib n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1vib n ASN 47 N -2.02 -0.29 -0.25 1.20 2.85 0.84 0.41 115.26 117.99 1vib n ASN 47 Ca 0.00 0.79 0.06 0.00 -0.11 0.00 0.00 54.58 55.32 1vib n ASN 47 Cb 0.00 -0.18 0.18 0.00 1.24 0.00 0.00 39.78 41.01 1vib n ASN 47 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1vib n LYS 49 N -5.27 0.01 -0.30 0.00 5.02 0.17 -0.43 118.16 117.36 1vib n LYS 49 Ca 0.14 0.45 0.07 0.00 -2.02 0.00 0.00 58.31 56.95 1vib n LYS 49 Cb 0.48 -1.54 0.20 0.00 -0.02 0.00 0.00 35.03 34.16 1vib n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vib n GLY 50 N -1.09 3.77 0.59 0.72 0.00 0.87 -3.72 105.19 106.33 1vib n GLY 50 Ca 0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.38 0.07 -0.01 1.61 4.81 0.42 -4.84 118.16 119.84 1vib n LYS 51 Ca 0.17 0.03 0.10 0.00 -0.87 0.00 0.00 58.31 57.73 1vib n LYS 51 Cb 0.70 -0.42 -0.14 0.00 0.02 0.00 0.00 35.03 35.19 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 -3.20 2.53 -0.42 0.00 -0.14 -1.25 -5.05 119.74 112.21 1vib s LYS 53 Ca -0.01 -1.51 -0.00 0.00 -1.36 0.00 0.00 55.97 53.09 1vib s LYS 53 Cb 0.14 -2.61 0.12 0.00 -1.68 0.00 0.00 37.83 33.79 1vib s LYS 53 CO 0.85 -0.54 0.19 -1.59 -0.76 0.00 0.00 175.35 173.51 1vib s LYS 54 N -4.45 1.92 0.00 1.68 0.00 -1.25 -4.45 119.74 113.20 1vib s LYS 54 Ca 0.55 -1.98 0.03 0.00 0.00 0.00 0.00 55.97 54.57 1vib s LYS 54 Cb -0.07 -3.48 0.02 0.00 0.00 0.00 0.00 37.83 34.30 1vib s LYS 54 CO 0.34 -1.05 0.59 0.39 0.00 0.00 0.00 175.35 175.61