#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 0.00 -0.48 0.00 3.41 -1.26 -5.00 113.62 110.29 1vib n SER 2 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1vib n SER 2 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1vib n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vib n ALA 3 N -3.00 3.26 -3.53 7.33 0.00 -1.26 -4.77 120.51 118.54 1vib n ALA 3 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 1vib n ALA 3 Cb 0.00 -0.91 -0.17 0.00 0.00 0.00 0.00 19.45 18.38 1vib n ALA 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1vib s THR 4 N -2.41 1.62 -0.80 0.00 2.01 -1.26 -5.00 115.64 109.80 1vib s THR 4 Ca 0.22 -0.73 0.13 0.00 0.31 0.00 0.00 61.69 61.62 1vib s THR 4 Cb 0.19 -1.45 -0.10 0.00 0.01 0.00 0.00 72.50 71.15 1vib s THR 4 CO 0.52 0.46 0.61 0.79 -0.69 0.00 0.00 174.62 176.31 1vib n TRP 5 N 3.97 0.00 -0.13 4.92 7.02 -1.26 -4.58 117.44 127.38 1vib n TRP 5 Ca -0.20 0.00 0.27 0.00 -1.02 0.00 0.00 57.50 56.55 1vib n TRP 5 Cb 0.52 0.00 0.72 0.00 -2.42 0.00 0.00 31.31 30.13 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 3.01 0.00 -0.95 6.99 0.00 -1.94 0.30 103.07 110.48 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 -2.67 2.49 -0.13 3.60 0.00 -1.26 -3.66 120.51 118.87 1vib n ALA 7 Ca 0.16 -0.53 -0.28 0.00 0.00 0.00 0.00 53.44 52.79 1vib n ALA 7 Cb 0.89 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 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 0.35 1.28 -2.74 0.00 0.00 0.10 -5.06 120.51 114.44 1vib n ALA 8 Ca 0.14 -1.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.12 1vib n ALA 8 Cb 0.29 0.12 -0.11 0.00 0.00 0.00 0.00 19.45 19.75 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 3.19 0.00 0.00 1.13 -1.06 -5.06 117.35 113.04 1vib s TYR 9 Ca -0.37 -0.26 0.00 0.00 -1.41 0.00 0.00 57.07 55.03 1vib s TYR 9 Cb 0.14 -2.37 0.00 0.00 -1.10 0.00 0.00 41.96 38.63 1vib s TYR 9 CO 0.49 -0.33 0.00 0.00 -2.51 0.00 0.00 175.55 173.20 1vib n ALA 11 N 5.02 0.00 0.97 9.51 0.00 -1.26 -4.45 120.51 130.30 1vib n ALA 11 Ca -0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1vib n ALA 11 Cb 0.50 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 19.29 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 0.59 0.00 -0.25 0.00 2.13 -1.26 -2.48 120.64 119.37 1vib n GLU 13 Ca 0.11 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.91 1vib n GLU 13 Cb 0.51 -0.50 0.00 0.00 0.27 0.00 0.00 31.44 31.73 1vib n GLU 13 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1vib n ASN 14 N -2.90 -0.48 -0.21 4.31 2.04 -1.26 0.11 115.26 116.87 1vib n ASN 14 Ca 0.00 1.11 0.02 0.00 -0.44 0.00 0.00 54.58 55.27 1vib n ASN 14 Cb 0.45 -0.23 0.13 0.00 -2.53 0.00 0.00 39.78 37.60 1vib n ASN 14 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1vib h ASN 15 N 0.00 -0.00 0.21 0.53 -1.07 -1.87 0.47 115.58 113.84 1vib h ASN 15 Ca 0.19 0.12 0.00 0.00 0.07 0.00 0.00 56.30 56.68 1vib h ASN 15 Cb 0.35 0.17 0.00 0.00 -2.07 0.00 0.00 38.32 36.77 1vib h ASN 15 CO -0.62 -0.00 -0.22 0.00 0.07 0.00 0.00 177.43 176.65 1vib h ARG 17 N 1.35 0.00 -0.80 0.00 2.43 0.20 0.57 114.38 118.13 1vib h ARG 17 Ca 0.00 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.32 1vib h ARG 17 Cb 0.50 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.96 1vib h ARG 17 CO 0.00 0.00 0.37 0.87 -1.51 0.00 0.00 179.97 179.70 1vib h LYS 18 N -0.81 0.52 -0.26 0.20 1.57 -1.36 0.34 116.57 116.78 1vib h LYS 18 Ca 0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1vib h LYS 18 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1vib h LYS 18 CO 0.00 0.34 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.71 1vib h LYS 19 N 0.53 0.52 -0.63 3.15 1.63 -1.61 0.48 116.57 120.64 1vib h LYS 19 Ca 0.44 -0.22 0.05 0.00 -0.85 0.00 0.00 60.65 60.08 1vib h LYS 19 Cb 0.65 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.21 1vib h LYS 19 CO -0.38 0.76 0.35 -0.92 -3.45 0.00 0.00 179.45 175.81 1vib h TYR 20 N 0.45 0.65 -0.20 1.91 3.20 0.41 0.92 116.97 124.32 1vib h TYR 20 Ca 0.06 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.81 1vib h TYR 20 Cb 0.74 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1vib h TYR 20 CO 0.03 0.32 -0.47 -0.44 -1.64 0.00 0.00 178.16 175.96 1vib h ASP 21 N 0.67 0.56 1.23 -2.11 3.32 -0.88 -2.84 116.42 116.36 1vib h ASP 21 Ca 0.28 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1vib h ASP 21 Cb 0.15 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1vib h ASP 21 CO -0.16 0.95 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.90 1vib h LEU 22 N 0.41 0.00 -0.23 1.55 3.38 0.06 -3.22 115.31 117.27 1vib h LEU 22 Ca 0.02 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1vib h LEU 22 Cb 0.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1vib h LEU 22 CO 0.09 0.05 -0.74 0.00 0.09 0.00 0.00 178.44 177.93 1vib n ILE 24 N -3.41 0.69 -1.88 0.00 5.41 -1.09 -4.67 119.36 114.42 1vib n ILE 24 Ca 0.00 -0.62 -0.39 0.00 1.00 0.00 0.00 62.75 62.74 1vib n ILE 24 Cb 0.79 -2.12 -0.01 0.00 -0.71 0.00 0.00 39.64 37.59 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 7.67 4.39 0.04 0.38 5.12 -1.26 -4.56 116.66 128.45 1vib n ARG 25 Ca 0.48 -3.24 0.03 0.00 -1.93 0.00 0.00 57.85 53.18 1vib n ARG 25 Cb 0.42 -2.63 0.15 0.00 -1.16 0.00 0.00 32.46 29.23 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 -3.11 2.86 1.43 0.00 0.00 -1.26 -3.62 119.66 115.96 1vib s GLN 27 Ca -0.01 -0.61 0.00 0.00 -0.00 0.00 0.00 55.36 54.74 1vib s GLN 27 Cb 0.02 -2.72 0.00 0.00 0.00 0.00 0.00 33.01 30.30 1vib s GLN 27 CO 0.05 0.61 0.00 0.41 0.00 0.00 0.00 175.29 176.36 1vib n GLY 28 N 1.08 0.43 0.24 2.60 0.00 -1.26 -3.31 105.19 104.97 1vib n GLY 28 Ca -0.13 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.02 -0.82 1.61 3.64 -1.89 0.01 116.57 119.14 1vib h LYS 29 Ca 0.00 -0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 1vib h LYS 29 Cb 0.00 -0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 31.49 1vib h LYS 29 CO 0.00 0.01 0.07 0.91 -2.27 0.00 0.00 179.45 178.17 1vib n TRP 30 N -5.41 2.79 -1.18 1.91 7.02 0.62 -4.92 117.44 118.27 1vib n TRP 30 Ca 0.08 -2.50 -0.20 0.00 -1.02 0.00 0.00 57.50 53.87 1vib n TRP 30 Cb 0.34 -0.87 -0.10 0.00 -2.42 0.00 0.00 31.31 28.26 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 -0.87 0.39 0.00 6.99 0.00 -0.01 -0.06 120.51 126.94 1vib n ALA 31 Ca 0.52 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1vib n ALA 31 Cb 0.87 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 5.45 0.69 0.82 0.00 0.00 -1.26 -4.90 105.19 105.98 1vib n GLY 32 Ca 0.35 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.21 2.11 -0.17 1.61 4.01 0.91 -4.51 118.16 120.90 1vib n LYS 33 Ca 0.00 -1.63 0.03 0.00 -0.51 0.00 0.00 58.31 56.20 1vib n LYS 33 Cb 0.00 -1.47 0.06 0.00 -0.51 0.00 0.00 35.03 33.12 1vib n LYS 33 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1vib n ARG 34 N 0.92 -0.05 -0.11 1.97 3.00 -1.09 -0.51 116.66 120.79 1vib n ARG 34 Ca 0.17 0.73 0.08 0.00 -0.00 0.00 0.00 57.85 58.83 1vib n ARG 34 Cb 0.50 -1.09 0.16 0.00 0.00 0.00 0.00 32.46 32.02 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 -1.29 -0.32 0.00 5.14 0.00 -1.26 0.02 105.19 107.48 1vib n GLY 35 Ca 0.07 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1vib n GLY 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vib n LYS 36 N -3.94 1.90 -0.31 1.61 4.81 0.33 -4.60 118.16 117.95 1vib n LYS 36 Ca 0.11 -0.20 0.24 0.00 -0.87 0.00 0.00 58.31 57.59 1vib n LYS 36 Cb 0.36 -0.64 0.55 0.00 0.02 0.00 0.00 35.03 35.32 1vib n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vib n ALA 38 N -2.52 0.00 -0.21 0.00 0.00 -1.22 -3.34 120.51 113.22 1vib n ALA 38 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.63 1vib n ALA 38 Cb 0.92 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.32 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 -1.28 -0.31 -0.29 0.00 0.00 -1.13 0.12 120.51 117.63 1vib n ALA 39 Ca 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 1vib n ALA 39 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.16 0.00 0.00 2.76 -0.76 0.25 115.15 116.24 1vib h HIS 40 Ca 0.08 0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 1vib h HIS 40 Cb 0.20 0.62 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 1vib h HIS 40 CO -0.51 -0.40 -0.24 0.00 -1.30 0.00 0.00 177.93 175.48 1vib h ILE 42 N 0.00 1.35 -0.97 0.00 2.10 0.64 -3.12 117.51 117.51 1vib h ILE 42 Ca -0.00 -1.25 0.25 0.00 1.08 0.00 0.00 64.86 64.94 1vib h ILE 42 Cb 0.60 2.17 -0.18 0.00 -1.09 0.00 0.00 36.82 38.32 1vib h ILE 42 CO 0.03 0.31 -0.03 -0.38 -1.08 0.00 0.00 178.15 177.00 1vib n ILE 43 N -4.85 -0.41 -0.03 2.19 5.41 -0.10 0.04 119.36 121.61 1vib n ILE 43 Ca -0.09 2.16 -0.08 0.00 1.00 0.00 0.00 62.75 65.74 1vib n ILE 43 Cb 0.28 -3.12 -0.06 0.00 -0.71 0.00 0.00 39.64 36.03 1vib n ILE 43 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1vib h GLN 44 N 0.00 -0.29 -1.22 0.38 7.50 -1.49 0.57 115.11 120.56 1vib h GLN 44 Ca 0.56 0.02 0.36 0.00 0.50 0.00 0.00 58.65 60.09 1vib h GLN 44 Cb 1.11 0.07 -0.10 0.00 0.05 0.00 0.00 27.48 28.61 1vib h GLN 44 CO -0.93 -0.19 0.81 1.57 -1.50 0.00 0.00 178.83 178.58 1vib h LYS 45 N -0.30 0.19 0.00 1.46 2.10 -0.43 0.33 116.57 119.91 1vib h LYS 45 Ca 0.02 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1vib h LYS 45 Cb 0.37 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1vib h LYS 45 CO -0.28 0.12 -1.07 0.09 -2.00 0.00 0.00 179.45 176.31 1vib n ASN 46 N -4.54 0.69 0.07 7.07 4.13 -0.17 -4.06 115.26 118.44 1vib n ASN 46 Ca 0.31 0.17 -0.23 0.00 1.68 0.00 0.00 54.58 56.51 1vib n ASN 46 Cb 1.21 0.65 -0.15 0.00 -1.54 0.00 0.00 39.78 39.95 1vib n ASN 46 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1vib h ASN 47 N 0.00 0.59 -0.81 6.41 2.35 0.35 -3.35 115.58 121.12 1vib h ASN 47 Ca 0.00 -0.92 0.13 0.00 -0.55 0.00 0.00 56.30 54.96 1vib h ASN 47 Cb 0.92 -0.19 -0.13 0.00 0.05 0.00 0.00 38.32 38.97 1vib h ASN 47 CO 0.00 1.73 -0.31 0.00 -1.65 0.00 0.00 177.43 177.20 1vib h LYS 49 N 0.00 0.12 -0.96 0.00 1.57 -1.61 0.70 116.57 116.39 1vib h LYS 49 Ca 0.29 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 58.53 1vib h LYS 49 Cb 0.49 -0.03 -0.30 0.00 0.08 0.00 0.00 32.23 32.48 1vib h LYS 49 CO -0.80 0.08 0.64 0.41 -0.57 0.00 0.00 179.45 179.21 1vib n GLY 50 N -1.43 4.80 0.29 3.86 0.00 0.14 -4.35 105.19 108.50 1vib n GLY 50 Ca 0.36 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.10 0.27 0.00 1.61 2.85 0.24 -4.99 118.16 117.04 1vib n LYS 51 Ca 0.59 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.93 1vib n LYS 51 Cb 1.44 -1.10 0.00 0.00 -0.65 0.00 0.00 35.03 34.72 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 -0.33 1.01 -0.26 0.00 -2.85 -1.26 -5.09 119.74 110.96 1vib s LYS 53 Ca 0.00 -1.43 -0.08 0.00 -1.00 0.00 0.00 55.97 53.46 1vib s LYS 53 Cb 0.00 -2.39 -0.02 0.00 -2.06 0.00 0.00 37.83 33.36 1vib s LYS 53 CO 0.00 -1.00 0.09 0.21 0.10 0.00 0.00 175.35 174.75 1vib s LYS 54 N 1.23 3.59 0.00 1.78 2.47 -1.26 -4.73 119.74 122.82 1vib s LYS 54 Ca 0.11 -0.52 0.03 0.00 -1.56 0.00 0.00 55.97 54.02 1vib s LYS 54 Cb -0.19 -3.38 0.02 0.00 -1.46 0.00 0.00 37.83 32.82 1vib s LYS 54 CO -0.17 -0.24 0.58 -1.91 0.16 0.00 0.00 175.35 173.77