#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 2.29 -2.28 0.00 3.41 -1.26 -5.00 113.62 110.78 1vib n SER 2 Ca 0.00 -2.34 -0.30 0.00 -0.26 0.00 0.00 58.87 55.96 1vib n SER 2 Cb 0.00 -0.01 0.12 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.17 6.02 -3.70 7.33 0.00 -1.26 -4.67 120.51 122.06 1vib n ALA 3 Ca -0.12 -3.25 -0.28 0.00 0.00 0.00 0.00 53.44 49.79 1vib n ALA 3 Cb 0.44 -1.62 -0.12 0.00 0.00 0.00 0.00 19.45 18.15 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 -4.20 1.75 0.00 0.00 -4.23 -1.26 -4.88 115.64 102.82 1vib s THR 4 Ca 0.61 -3.35 0.00 0.00 -1.18 0.00 0.00 61.69 57.77 1vib s THR 4 Cb 0.50 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 72.16 1vib s THR 4 CO 0.04 -1.05 0.00 0.79 -0.54 0.00 0.00 174.62 173.86 1vib n TRP 5 N 2.64 0.00 0.00 3.99 7.02 -1.26 -4.98 117.44 124.84 1vib n TRP 5 Ca 0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.68 1vib n TRP 5 Cb 0.39 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.28 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 2.63 1.55 0.13 6.99 0.00 -1.26 -4.46 105.19 110.77 1vib n GLY 6 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.68 0.00 -0.13 4.61 0.00 -1.26 0.11 120.51 123.16 1vib n ALA 7 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1vib n ALA 7 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.88 1.22 -2.70 0.00 0.00 -1.26 -5.04 120.51 111.85 1vib n ALA 8 Ca 0.00 -1.06 -0.38 0.00 0.00 0.00 0.00 53.44 52.00 1vib n ALA 8 Cb 0.42 0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.50 3.19 0.00 0.00 -0.85 0.30 -5.05 117.35 112.44 1vib s TYR 9 Ca -0.37 -0.17 0.00 0.00 -0.52 0.00 0.00 57.07 56.01 1vib s TYR 9 Cb 0.13 -2.38 0.00 0.00 0.38 0.00 0.00 41.96 40.09 1vib s TYR 9 CO 0.53 -0.29 0.00 0.00 -1.52 0.00 0.00 175.55 174.27 1vib n ALA 11 N 5.04 0.00 0.31 9.51 0.00 -1.26 -4.44 120.51 129.66 1vib n ALA 11 Ca -0.14 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.47 1vib n ALA 11 Cb 0.51 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.83 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 -3.06 0.64 0.01 0.00 0.00 -1.26 -4.41 120.64 112.56 1vib n GLU 13 Ca -0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 57.16 56.90 1vib n GLU 13 Cb 0.35 -1.44 -0.14 0.00 0.00 0.00 0.00 31.44 30.21 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 0.18 -0.69 4.31 -0.26 -0.43 -3.33 115.58 115.36 1vib h ASN 14 Ca 0.00 -0.34 0.14 0.00 -0.56 0.00 0.00 56.30 55.53 1vib h ASN 14 Cb 0.74 -0.06 -0.10 0.00 -1.06 0.00 0.00 38.32 37.85 1vib h ASN 14 CO 0.00 1.30 0.18 -0.55 -1.06 0.00 0.00 177.43 177.30 1vib h ASN 15 N 0.03 0.07 1.11 5.81 7.08 -0.68 0.44 115.58 129.44 1vib h ASN 15 Ca -0.29 0.12 0.00 0.00 -3.08 0.00 0.00 56.30 53.05 1vib h ASN 15 Cb 2.00 0.16 0.00 0.00 -2.08 0.00 0.00 38.32 38.40 1vib h ASN 15 CO 0.10 0.01 0.00 0.00 -2.08 0.00 0.00 177.43 175.47 1vib h ARG 17 N 0.00 0.08 0.51 0.00 2.43 -0.29 0.28 114.38 117.39 1vib h ARG 17 Ca 0.00 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1vib h ARG 17 Cb 0.56 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1vib h ARG 17 CO 0.00 0.80 -0.25 0.87 -1.51 0.00 0.00 179.97 179.89 1vib h LYS 18 N -0.62 -0.66 -0.72 0.20 1.57 -1.03 -2.13 116.57 113.18 1vib h LYS 18 Ca -0.01 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 58.97 1vib h LYS 18 Cb 0.83 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 33.17 1vib h LYS 18 CO 0.02 -0.42 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.22 1vib h LYS 19 N -0.72 0.08 -0.56 3.15 1.63 -0.57 1.06 116.57 120.64 1vib h LYS 19 Ca -0.07 -0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.83 1vib h LYS 19 Cb 0.54 -0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.08 1vib h LYS 19 CO 0.12 0.05 0.11 -0.92 -3.45 0.00 0.00 179.45 175.36 1vib h TYR 20 N 0.08 0.17 0.00 1.91 3.20 0.01 1.78 116.97 124.12 1vib h TYR 20 Ca 0.38 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.29 1vib h TYR 20 Cb 0.66 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1vib h TYR 20 CO -0.44 -0.03 0.00 -0.25 -1.64 0.00 0.00 178.16 175.80 1vib n ASP 21 N -5.13 0.00 -0.42 -2.11 8.00 0.12 -2.42 116.55 114.59 1vib n ASP 21 Ca 0.07 0.38 0.04 0.00 0.71 0.00 0.00 54.79 56.00 1vib n ASP 21 Cb 0.29 -0.46 0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1vib n ASP 21 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1vib n LEU 22 N -1.46 2.34 -0.08 0.64 4.77 0.32 -4.56 117.00 118.98 1vib n LEU 22 Ca 0.08 -1.67 -0.12 0.00 -0.03 0.00 0.00 56.01 54.27 1vib n LEU 22 Cb 0.32 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1vib n LEU 22 CO 0.26 0.56 -1.02 0.00 -1.33 0.00 0.00 177.39 175.86 1vib n ILE 24 N -3.12 0.00 -1.44 0.00 5.41 -1.02 -4.70 119.36 114.50 1vib n ILE 24 Ca -0.29 -0.24 -0.30 0.00 1.00 0.00 0.00 62.75 62.92 1vib n ILE 24 Cb 0.78 -1.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.65 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 5.70 3.21 0.27 0.38 5.12 -1.26 -4.52 116.66 125.55 1vib n ARG 25 Ca 0.23 -2.24 0.13 0.00 -1.93 0.00 0.00 57.85 54.03 1vib n ARG 25 Cb 0.33 -2.41 0.69 0.00 -1.16 0.00 0.00 32.46 29.91 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 -3.83 2.83 0.00 0.00 0.00 -1.26 -3.40 119.66 114.00 1vib s GLN 27 Ca -0.03 -0.57 0.00 0.00 -0.00 0.00 0.00 55.36 54.77 1vib s GLN 27 Cb 0.07 -2.69 0.00 0.00 0.00 0.00 0.00 33.01 30.39 1vib s GLN 27 CO 0.23 0.64 0.00 0.41 0.00 0.00 0.00 175.29 176.57 1vib n GLY 28 N 1.57 1.28 0.18 2.60 0.00 -1.26 -3.86 105.19 105.69 1vib n GLY 28 Ca -0.15 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 0.62 -0.92 1.61 3.64 -1.85 -3.29 116.57 116.38 1vib h LYS 29 Ca 0.00 -0.77 -0.62 0.00 -1.27 0.00 0.00 60.65 57.99 1vib h LYS 29 Cb 0.00 0.24 -0.36 0.00 -0.41 0.00 0.00 32.23 31.71 1vib h LYS 29 CO 0.00 1.34 0.06 0.91 -2.27 0.00 0.00 179.45 179.49 1vib n TRP 30 N -3.86 3.01 -0.85 1.91 7.02 0.14 -4.94 117.44 119.87 1vib n TRP 30 Ca -0.13 -2.64 -0.18 0.00 -1.02 0.00 0.00 57.50 53.53 1vib n TRP 30 Cb 0.92 -0.90 -0.05 0.00 -2.42 0.00 0.00 31.31 28.86 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 -0.80 0.36 0.00 6.99 0.00 -1.22 0.10 120.51 125.94 1vib n ALA 31 Ca 0.53 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1vib n ALA 31 Cb 0.79 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 4.31 1.43 0.00 0.00 0.00 -1.26 -4.90 105.19 104.78 1vib n GLY 32 Ca 0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.87 0.98 -0.19 1.61 4.76 0.29 -4.18 118.16 120.56 1vib n LYS 33 Ca 0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1vib n LYS 33 Cb 0.00 -1.44 0.02 0.00 -1.84 0.00 0.00 35.03 31.78 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 -0.94 -0.11 -0.19 1.97 0.00 -0.98 0.03 116.66 116.44 1vib n ARG 34 Ca 0.21 0.76 0.18 0.00 -0.00 0.00 0.00 57.85 59.00 1vib n ARG 34 Cb 0.09 -1.13 0.33 0.00 0.00 0.00 0.00 32.46 31.76 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 -1.24 -0.48 0.00 5.14 0.00 -1.26 -0.91 105.19 106.44 1vib n GLY 35 Ca 0.05 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -4.38 5.51 -0.30 1.61 4.76 0.10 -4.70 118.16 120.76 1vib n LYS 36 Ca 0.22 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.68 1vib n LYS 36 Cb 0.74 -0.54 0.09 0.00 -1.84 0.00 0.00 35.03 33.48 1vib n LYS 36 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vib n ALA 38 N -3.39 0.00 -0.28 0.00 0.00 -1.23 -1.17 120.51 114.44 1vib n ALA 38 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1vib n ALA 38 Cb 0.42 0.09 0.04 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.07 -0.04 -0.14 0.00 0.00 -1.02 0.34 120.51 118.58 1vib n ALA 39 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 53.44 54.14 1vib n ALA 39 Cb 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.46 0.00 0.00 2.76 -0.96 -0.43 115.15 116.06 1vib h HIS 40 Ca 0.27 0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.43 1vib h HIS 40 Cb 0.45 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 1vib h HIS 40 CO -0.62 -0.27 -0.31 0.00 -1.30 0.00 0.00 177.93 175.42 1vib h ILE 42 N 0.00 1.33 -1.20 0.00 2.10 0.51 -2.76 117.51 117.50 1vib h ILE 42 Ca -0.00 -0.98 0.35 0.00 1.08 0.00 0.00 64.86 65.30 1vib h ILE 42 Cb 0.90 1.96 -0.05 0.00 -1.09 0.00 0.00 36.82 38.54 1vib h ILE 42 CO 0.04 0.26 0.86 0.40 -1.08 0.00 0.00 178.15 178.63 1vib h ILE 43 N -0.37 0.40 -0.53 2.19 2.04 -1.31 0.59 117.51 120.52 1vib h ILE 43 Ca 0.00 -0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 1vib h ILE 43 Cb 0.43 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1vib h ILE 43 CO 0.00 0.00 -0.13 1.56 0.00 0.00 0.00 178.15 179.59 1vib h GLN 44 N 0.00 1.03 0.00 2.37 7.50 -1.58 0.22 115.11 124.65 1vib h GLN 44 Ca 0.57 -0.39 0.00 0.00 0.50 0.00 0.00 58.65 59.33 1vib h GLN 44 Cb 2.29 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 29.76 1vib h GLN 44 CO -0.01 1.08 0.00 1.57 -1.50 0.00 0.00 178.83 179.97 1vib h LYS 45 N 0.91 0.00 0.00 1.46 2.10 0.12 -3.23 116.57 117.93 1vib h LYS 45 Ca 0.14 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.57 1vib h LYS 45 Cb 0.70 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.00 1vib h LYS 45 CO 0.05 0.00 -1.21 -1.71 -2.00 0.00 0.00 179.45 174.58 1vib n ASN 46 N -2.69 1.86 -0.26 7.07 4.05 -0.63 -3.82 115.26 120.84 1vib n ASN 46 Ca 0.04 0.44 0.06 0.00 0.45 0.00 0.00 54.58 55.57 1vib n ASN 46 Cb 0.44 -0.96 0.17 0.00 1.23 0.00 0.00 39.78 40.66 1vib n ASN 46 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 1vib h ASN 47 N -1.00 -0.31 -0.85 1.20 2.35 -0.67 0.95 115.58 117.25 1vib h ASN 47 Ca -0.32 0.19 0.21 0.00 -0.55 0.00 0.00 56.30 55.84 1vib h ASN 47 Cb 1.23 0.33 -0.15 0.00 0.05 0.00 0.00 38.32 39.79 1vib h ASN 47 CO -0.19 -0.17 0.09 0.00 -1.65 0.00 0.00 177.43 175.50 1vib h LYS 49 N 0.12 0.00 0.00 0.00 1.57 -0.90 -2.17 116.57 115.19 1vib h LYS 49 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1vib h LYS 49 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1vib h LYS 49 CO -0.72 0.00 -0.55 0.41 -0.57 0.00 0.00 179.45 178.03 1vib n GLY 50 N -1.21 -0.37 0.02 3.86 0.00 0.59 -3.75 105.19 104.33 1vib n GLY 50 Ca -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.82 -0.02 -0.05 1.61 4.81 0.82 -0.11 118.16 121.41 1vib n LYS 51 Ca -0.08 0.06 0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1vib n LYS 51 Cb 0.28 -0.09 -0.16 0.00 0.02 0.00 0.00 35.03 35.09 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 -2.97 3.33 -0.01 0.00 1.02 0.84 -4.42 119.74 117.54 1vib s LYS 53 Ca -0.08 -0.65 0.08 0.00 0.02 0.00 0.00 55.97 55.34 1vib s LYS 53 Cb 0.10 -2.95 -0.11 0.00 -0.52 0.00 0.00 37.83 34.34 1vib s LYS 53 CO 0.82 -0.19 0.22 0.36 -0.92 0.00 0.00 175.35 175.64 1vib n LYS 54 N 4.74 1.44 0.00 1.68 0.00 -1.26 -4.02 118.16 120.74 1vib n LYS 54 Ca -0.18 -0.05 0.02 0.00 -0.00 0.00 0.00 58.31 58.09 1vib n LYS 54 Cb 0.51 -1.10 0.01 0.00 -0.00 0.00 0.00 35.03 34.45 1vib n LYS 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79