#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vib s SER 2 N 0.00 4.67 0.00 0.00 0.01 -1.26 -4.97 113.70 112.14 1vib s SER 2 Ca 0.00 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1vib s SER 2 Cb 0.00 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.22 1vib s SER 2 CO 0.00 0.19 0.00 0.00 0.41 0.00 0.00 173.24 173.84 1vib n ALA 3 N 0.77 0.00 -3.98 1.44 0.00 -1.26 -4.90 120.51 112.58 1vib n ALA 3 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 1vib n ALA 3 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1vib n ALA 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1vib s THR 4 N 0.00 1.51 -0.15 0.00 -1.32 -1.26 -5.09 115.64 109.33 1vib s THR 4 Ca 0.00 -0.79 -0.01 0.00 -1.21 0.00 0.00 61.69 59.68 1vib s THR 4 Cb 0.00 -1.54 0.04 0.00 -1.51 0.00 0.00 72.50 69.49 1vib s THR 4 CO 0.00 0.28 -0.02 0.26 -2.21 0.00 0.00 174.62 172.92 1vib s TRP 5 N 1.48 1.37 0.00 9.09 0.52 -1.26 -4.63 118.94 125.51 1vib s TRP 5 Ca 0.02 -0.87 0.00 0.00 0.02 0.00 0.00 56.10 55.26 1vib s TRP 5 Cb -0.15 -1.16 0.00 0.00 -1.15 0.00 0.00 33.47 31.01 1vib s TRP 5 CO -0.09 -0.56 0.00 0.41 0.02 0.00 0.00 176.95 176.73 1vib n GLY 6 N 4.96 1.84 0.40 0.98 0.00 -1.26 -4.81 105.19 107.30 1vib n GLY 6 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 2.85 -0.02 4.61 0.00 -1.26 -4.11 120.51 122.58 1vib n ALA 7 Ca 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 53.44 53.07 1vib n ALA 7 Cb 0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.16 2.60 -2.42 0.00 0.00 -1.26 -5.16 120.51 114.11 1vib n ALA 8 Ca 0.15 -0.58 -0.19 0.00 0.00 0.00 0.00 53.44 52.82 1vib n ALA 8 Cb 0.37 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 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 -3.29 3.00 0.00 0.00 1.13 -1.26 -5.18 117.35 111.75 1vib s TYR 9 Ca -0.08 -0.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.30 1vib s TYR 9 Cb 0.12 -1.99 0.00 0.00 -1.10 0.00 0.00 41.96 38.99 1vib s TYR 9 CO 0.83 -0.00 0.00 0.00 -2.51 0.00 0.00 175.55 173.87 1vib n ALA 11 N -1.58 0.00 -0.30 9.51 0.00 -1.26 -4.39 120.51 122.49 1vib n ALA 11 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1vib n ALA 11 Cb 0.59 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.72 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 -4.33 1.13 -0.03 0.00 0.00 -1.26 -4.39 120.64 111.77 1vib n GLU 13 Ca 0.25 -0.14 -0.13 0.00 0.00 0.00 0.00 57.16 57.14 1vib n GLU 13 Cb 1.10 -1.35 -0.14 0.00 0.00 0.00 0.00 31.44 31.05 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 -1.22 1.21 -0.27 4.31 5.03 0.79 -3.64 115.26 121.47 1vib n ASN 14 Ca 0.04 0.29 0.07 0.00 0.87 0.00 0.00 54.58 55.86 1vib n ASN 14 Cb 0.30 -0.22 0.22 0.00 -1.02 0.00 0.00 39.78 39.06 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 0.02 0.30 1.14 6.41 7.08 -0.99 0.54 115.58 130.07 1vib h ASN 15 Ca -0.36 0.12 -0.02 0.00 -3.08 0.00 0.00 56.30 52.96 1vib h ASN 15 Cb 2.04 0.10 -0.00 0.00 -2.08 0.00 0.00 38.32 38.37 1vib h ASN 15 CO 0.07 0.08 -0.09 0.00 -2.08 0.00 0.00 177.43 175.42 1vib h ARG 17 N 0.00 0.02 0.00 0.00 2.43 -0.09 0.78 114.38 117.51 1vib h ARG 17 Ca -0.00 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1vib h ARG 17 Cb 0.68 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1vib h ARG 17 CO 0.01 0.94 -0.09 0.87 -1.51 0.00 0.00 179.97 180.19 1vib h LYS 18 N -0.89 -0.15 -0.69 0.20 1.57 -0.89 0.51 116.57 116.23 1vib h LYS 18 Ca -0.01 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1vib h LYS 18 Cb 0.95 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 33.18 1vib h LYS 18 CO 0.01 -0.10 -0.46 -0.22 -0.57 0.00 0.00 179.45 178.11 1vib h LYS 19 N -0.16 -0.16 -0.84 3.15 3.11 -0.49 0.86 116.57 122.04 1vib h LYS 19 Ca 0.03 0.01 0.11 0.00 -2.81 0.00 0.00 60.65 57.99 1vib h LYS 19 Cb 0.20 0.04 -0.08 0.00 -1.00 0.00 0.00 32.23 31.39 1vib h LYS 19 CO -0.09 -0.11 0.47 -0.92 -2.81 0.00 0.00 179.45 175.99 1vib h TYR 20 N -0.17 0.85 0.00 1.91 3.20 0.02 1.22 116.97 123.99 1vib h TYR 20 Ca 0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1vib h TYR 20 Cb 0.55 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1vib h TYR 20 CO -0.78 0.31 0.00 -0.25 -1.64 0.00 0.00 178.16 175.80 1vib n ASP 21 N -4.77 0.53 -0.00 -2.11 9.92 0.15 -2.97 116.55 117.30 1vib n ASP 21 Ca 0.15 0.58 0.07 0.00 -0.53 0.00 0.00 54.79 55.05 1vib n ASP 21 Cb 0.32 -0.71 -0.09 0.00 -0.64 0.00 0.00 41.12 40.00 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 -2.03 0.32 0.09 0.64 4.77 0.25 -4.37 117.00 116.66 1vib n LEU 22 Ca 0.05 -0.25 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1vib n LEU 22 Cb 0.33 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.53 1vib n LEU 22 CO 0.25 0.08 0.29 0.00 -1.33 0.00 0.00 177.39 176.68 1vib n ILE 24 N -2.42 2.34 -1.38 0.00 5.41 -1.16 -4.70 119.36 117.46 1vib n ILE 24 Ca 0.02 -1.69 -0.27 0.00 1.00 0.00 0.00 62.75 61.81 1vib n ILE 24 Cb 0.49 -2.28 -0.08 0.00 -0.71 0.00 0.00 39.64 37.06 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 5.55 2.99 0.00 0.38 5.12 -1.26 -4.59 116.66 124.86 1vib n ARG 25 Ca 0.49 -2.08 0.01 0.00 -1.93 0.00 0.00 57.85 54.34 1vib n ARG 25 Cb 0.28 -2.34 0.05 0.00 -1.16 0.00 0.00 32.46 29.28 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 -2.00 1.42 1.12 0.00 0.00 -1.26 -4.24 119.66 114.70 1vib s GLN 27 Ca 0.03 -1.25 0.00 0.00 -0.00 0.00 0.00 55.36 54.14 1vib s GLN 27 Cb 0.01 -1.79 0.00 0.00 0.00 0.00 0.00 33.01 31.23 1vib s GLN 27 CO 0.02 0.43 0.00 0.41 0.00 0.00 0.00 175.29 176.15 1vib n GLY 28 N 1.15 0.24 0.29 2.60 0.00 -1.26 -3.03 105.19 105.18 1vib n GLY 28 Ca -0.18 0.56 0.03 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.32 1.61 3.64 -1.92 0.21 116.57 118.81 1vib h LYS 29 Ca 0.00 -0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.74 1vib h LYS 29 Cb 0.00 -0.01 -0.36 0.00 -0.41 0.00 0.00 32.23 31.46 1vib h LYS 29 CO 0.00 0.01 0.04 0.91 -2.27 0.00 0.00 179.45 178.14 1vib n TRP 30 N -5.47 3.10 -1.00 1.91 7.02 0.20 -4.96 117.44 118.24 1vib n TRP 30 Ca 0.12 -2.68 -0.18 0.00 -1.02 0.00 0.00 57.50 53.74 1vib n TRP 30 Cb 0.43 -0.72 -0.07 0.00 -2.42 0.00 0.00 31.31 28.53 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 -0.65 0.40 0.00 6.99 0.00 0.75 0.73 120.51 128.73 1vib n ALA 31 Ca 0.49 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1vib n ALA 31 Cb 0.64 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 4.86 1.57 2.42 0.00 0.00 -1.26 -4.94 105.19 107.83 1vib n GLY 32 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.65 2.50 -2.64 1.61 4.01 0.22 -4.90 118.16 118.31 1vib n LYS 33 Ca 0.00 -2.22 -0.28 0.00 -0.51 0.00 0.00 58.31 55.29 1vib n LYS 33 Cb 0.00 -2.16 -0.01 0.00 -0.51 0.00 0.00 35.03 32.35 1vib n LYS 33 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1vib s ARG 34 N -1.25 3.61 0.00 1.97 6.06 -1.25 -0.26 118.95 127.83 1vib s ARG 34 Ca 0.60 0.31 0.00 0.00 -2.50 0.00 0.00 55.73 54.14 1vib s ARG 34 Cb 0.36 -2.36 0.00 0.00 0.06 0.00 0.00 34.95 33.01 1vib s ARG 34 CO -0.18 -0.19 0.00 0.41 -2.50 0.00 0.00 175.30 172.84 1vib n GLY 35 N -2.03 2.12 0.10 8.12 0.00 -1.26 -4.39 105.19 107.85 1vib n GLY 35 Ca 0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 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 0.17 -0.57 1.61 3.64 -1.94 -0.44 116.57 119.04 1vib h LYS 36 Ca 0.00 -0.21 0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1vib h LYS 36 Cb 0.00 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1vib h LYS 36 CO 0.00 0.99 0.39 0.00 -2.27 0.00 0.00 179.45 178.55 1vib h ALA 38 N 1.71 -0.67 -0.98 0.00 0.00 -1.79 -2.02 119.26 115.51 1vib h ALA 38 Ca 0.26 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1vib h ALA 38 Cb 0.53 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.20 1vib h ALA 38 CO -0.07 -0.67 -0.48 0.00 0.00 0.00 0.00 179.25 178.03 1vib h ALA 39 N -1.95 -0.19 -0.84 0.00 0.00 -0.71 0.18 119.26 115.75 1vib h ALA 39 Ca -0.01 0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.31 1vib h ALA 39 Cb 0.05 1.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 1vib h ALA 39 CO 0.01 -0.79 0.12 1.25 0.00 0.00 0.00 179.25 179.84 1vib h HIS 40 N -0.01 0.15 -0.01 0.00 6.17 -1.06 -1.05 115.15 119.34 1vib h HIS 40 Ca 0.25 0.05 -0.24 0.00 0.71 0.00 0.00 60.37 61.14 1vib h HIS 40 Cb 0.51 0.07 0.02 0.00 2.52 0.00 0.00 27.41 30.53 1vib h HIS 40 CO -0.94 -0.24 -0.94 0.00 0.71 0.00 0.00 177.93 176.52 1vib h ILE 42 N 0.31 0.81 -0.76 0.00 2.10 0.08 0.23 117.51 120.28 1vib h ILE 42 Ca -0.11 -0.25 0.22 0.00 1.08 0.00 0.00 64.86 65.80 1vib h ILE 42 Cb 1.60 0.03 -0.03 0.00 -1.09 0.00 0.00 36.82 37.33 1vib h ILE 42 CO 0.19 0.13 0.66 0.40 -1.08 0.00 0.00 178.15 178.45 1vib h ILE 43 N 0.72 0.39 0.00 2.19 2.04 -1.26 0.53 117.51 122.12 1vib h ILE 43 Ca 0.45 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 66.18 1vib h ILE 43 Cb 0.54 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1vib h ILE 43 CO -0.31 0.00 -0.61 1.56 0.00 0.00 0.00 178.15 178.78 1vib h GLN 44 N 0.00 0.00 0.00 2.37 7.50 -0.65 0.22 115.11 124.55 1vib h GLN 44 Ca 0.36 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.46 1vib h GLN 44 Cb 1.68 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 29.20 1vib h GLN 44 CO -0.00 0.56 -0.34 1.57 -1.50 0.00 0.00 178.83 179.11 1vib h LYS 45 N 0.00 0.00 0.00 1.46 2.10 0.06 -3.09 116.57 117.10 1vib h LYS 45 Ca -0.01 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 1vib h LYS 45 Cb 1.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.77 1vib h LYS 45 CO 0.07 0.24 -0.67 0.09 -2.00 0.00 0.00 179.45 177.18 1vib n ASN 46 N -3.13 1.82 -0.30 7.07 3.02 -0.68 -4.13 115.26 118.92 1vib n ASN 46 Ca 0.02 0.59 -0.04 0.00 -0.03 0.00 0.00 54.58 55.13 1vib n ASN 46 Cb 0.64 -0.89 -0.01 0.00 -0.61 0.00 0.00 39.78 38.91 1vib n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1vib n ASN 47 N -4.58 -0.62 -0.33 6.41 5.15 0.77 0.65 115.26 122.72 1vib n ASN 47 Ca -0.12 1.35 0.17 0.00 -0.60 0.00 0.00 54.58 55.37 1vib n ASN 47 Cb 0.35 -0.26 0.37 0.00 -0.53 0.00 0.00 39.78 39.72 1vib n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1vib h LYS 49 N 0.46 0.00 -0.33 0.00 1.57 0.06 0.39 116.57 118.73 1vib h LYS 49 Ca 0.63 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.38 1vib h LYS 49 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1vib h LYS 49 CO -0.52 0.00 0.01 0.41 -0.57 0.00 0.00 179.45 178.78 1vib n GLY 50 N -1.24 4.01 0.59 3.86 0.00 0.58 -3.69 105.19 109.29 1vib n GLY 50 Ca -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.45 0.00 -0.04 1.61 4.81 0.13 -4.85 118.16 119.38 1vib n LYS 51 Ca 0.24 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.79 1vib n LYS 51 Cb 0.97 -0.13 0.11 0.00 0.02 0.00 0.00 35.03 36.00 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 -1.73 3.99 -0.99 0.00 1.02 -1.24 -4.99 119.74 115.80 1vib s LYS 53 Ca 0.27 -0.22 -0.25 0.00 0.02 0.00 0.00 55.97 55.80 1vib s LYS 53 Cb 0.19 -3.34 -0.17 0.00 -0.52 0.00 0.00 37.83 33.99 1vib s LYS 53 CO 0.28 0.40 1.95 0.36 -0.92 0.00 0.00 175.35 177.42 1vib n LYS 54 N 3.19 1.01 0.00 1.68 0.00 -1.26 -4.64 118.16 118.14 1vib n LYS 54 Ca -0.17 -2.03 0.09 0.00 -0.00 0.00 0.00 58.31 56.20 1vib n LYS 54 Cb 0.53 -3.57 0.07 0.00 -0.00 0.00 0.00 35.03 32.06 1vib n LYS 54 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49