#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 5.06 -1.36 0.00 0.01 -1.26 -5.00 113.70 111.15 1vib s SER 2 Ca 0.00 -1.69 -0.14 0.00 1.31 0.00 0.00 55.95 55.43 1vib s SER 2 Cb 0.00 -1.76 0.09 0.00 0.21 0.00 0.00 66.02 64.56 1vib s SER 2 CO 0.00 -0.40 1.98 0.00 0.41 0.00 0.00 173.24 175.23 1vib n ALA 3 N 4.58 4.99 -3.68 1.44 0.00 -1.26 -4.81 120.51 121.78 1vib n ALA 3 Ca -0.07 -4.01 -0.36 0.00 0.00 0.00 0.00 53.44 49.01 1vib n ALA 3 Cb 0.42 -3.37 -0.08 0.00 0.00 0.00 0.00 19.45 16.42 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 2.56 4.07 0.25 0.00 -1.32 -1.26 -5.02 115.64 114.91 1vib s THR 4 Ca 0.46 -3.66 0.03 0.00 -1.21 0.00 0.00 61.69 57.31 1vib s THR 4 Cb 0.10 -3.56 -0.05 0.00 -1.51 0.00 0.00 72.50 67.47 1vib s THR 4 CO -0.03 -1.02 0.04 0.26 -2.21 0.00 0.00 174.62 171.66 1vib s TRP 5 N -1.01 1.60 0.00 9.09 0.52 -1.26 -4.93 118.94 122.95 1vib s TRP 5 Ca 0.24 -1.02 0.00 0.00 0.02 0.00 0.00 56.10 55.34 1vib s TRP 5 Cb -0.11 -0.95 0.00 0.00 -1.15 0.00 0.00 33.47 31.26 1vib s TRP 5 CO -0.10 -0.15 0.00 0.41 0.02 0.00 0.00 176.95 177.13 1vib n GLY 6 N -0.47 0.51 0.61 0.98 0.00 -1.26 -4.93 105.19 100.63 1vib n GLY 6 Ca -0.03 -0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 2.49 -0.13 4.61 0.00 -1.26 -3.89 120.51 122.33 1vib n ALA 7 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 53.44 52.64 1vib n ALA 7 Cb 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 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 0.43 1.40 -2.53 0.00 0.00 -1.26 -5.07 120.51 113.49 1vib n ALA 8 Ca 0.15 -1.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.13 1vib n ALA 8 Cb 0.32 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.48 3.24 0.00 0.00 -0.85 -1.25 -5.03 117.35 110.97 1vib s TYR 9 Ca -0.34 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 55.55 1vib s TYR 9 Cb 0.11 -2.56 0.00 0.00 0.38 0.00 0.00 41.96 39.89 1vib s TYR 9 CO 0.51 -0.60 0.00 0.00 -1.52 0.00 0.00 175.55 173.94 1vib n ALA 11 N 5.13 0.00 -0.32 9.51 0.00 -1.26 -4.23 120.51 129.34 1vib n ALA 11 Ca -0.11 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.67 1vib n ALA 11 Cb 0.47 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.49 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 -3.48 2.65 -0.07 0.00 4.07 -1.26 -4.57 120.64 117.97 1vib n GLU 13 Ca 0.27 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.35 1vib n GLU 13 Cb 1.58 -1.18 0.22 0.00 -0.06 0.00 0.00 31.44 32.00 1vib n GLU 13 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1vib h ASN 14 N 0.00 0.66 -1.01 4.31 -0.26 -0.93 0.74 115.58 119.08 1vib h ASN 14 Ca -0.19 -0.13 0.13 0.00 -0.56 0.00 0.00 56.30 55.54 1vib h ASN 14 Cb 1.43 -0.17 -0.09 0.00 -1.06 0.00 0.00 38.32 38.43 1vib h ASN 14 CO 0.01 0.70 0.63 -0.55 -1.06 0.00 0.00 177.43 177.16 1vib h ASN 15 N 0.66 0.92 0.86 5.81 -1.07 -0.97 0.33 115.58 122.12 1vib h ASN 15 Ca 0.14 0.05 -0.03 0.00 0.07 0.00 0.00 56.30 56.53 1vib h ASN 15 Cb 0.36 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 36.47 1vib h ASN 15 CO 0.01 0.47 -1.16 0.00 0.07 0.00 0.00 177.43 176.82 1vib h ARG 17 N 0.00 0.20 -0.33 0.00 2.43 0.45 0.97 114.38 118.10 1vib h ARG 17 Ca -0.03 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 58.78 1vib h ARG 17 Cb 1.10 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1vib h ARG 17 CO 0.01 1.16 0.10 0.87 -1.51 0.00 0.00 179.97 180.59 1vib h LYS 18 N -0.57 0.52 -0.53 0.20 6.56 -0.60 -2.34 116.57 119.81 1vib h LYS 18 Ca -0.14 -0.12 0.08 0.00 -1.06 0.00 0.00 60.65 59.42 1vib h LYS 18 Cb 1.47 -0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 32.99 1vib h LYS 18 CO 0.08 0.56 0.17 -0.22 -2.06 0.00 0.00 179.45 177.99 1vib h LYS 19 N 0.38 0.33 -0.94 3.15 1.63 -1.55 0.91 116.57 120.50 1vib h LYS 19 Ca 0.11 -0.02 0.19 0.00 -0.85 0.00 0.00 60.65 60.07 1vib h LYS 19 Cb 0.27 -0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.74 1vib h LYS 19 CO -0.00 0.22 0.60 -0.92 -3.45 0.00 0.00 179.45 175.90 1vib h TYR 20 N 0.34 0.77 0.00 1.91 3.20 -0.25 1.39 116.97 124.33 1vib h TYR 20 Ca 0.26 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1vib h TYR 20 Cb 0.31 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1vib h TYR 20 CO -0.18 0.21 -0.48 -0.44 -1.64 0.00 0.00 178.16 175.63 1vib h ASP 21 N 0.58 0.00 -0.43 -2.11 3.32 -0.54 -3.16 116.42 114.09 1vib h ASP 21 Ca 0.50 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1vib h ASP 21 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1vib h ASP 21 CO -0.24 0.04 0.00 0.18 -1.72 0.00 0.00 179.24 177.50 1vib n LEU 22 N -2.48 3.18 -0.03 1.55 4.77 0.29 -4.28 117.00 119.99 1vib n LEU 22 Ca 0.03 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 1vib n LEU 22 Cb 0.48 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1vib n LEU 22 CO 0.36 0.77 -0.78 0.00 -1.33 0.00 0.00 177.39 176.41 1vib s ILE 24 N -2.62 3.68 -0.84 0.00 1.01 -1.20 -4.64 121.20 116.60 1vib s ILE 24 Ca -0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.56 1vib s ILE 24 Cb 0.06 -4.64 0.35 0.00 0.01 0.00 0.00 42.46 38.24 1vib s ILE 24 CO 0.53 -1.28 1.99 0.54 0.00 0.00 0.00 174.94 176.72 1vib n ARG 25 N 8.46 2.84 0.00 2.79 3.00 -1.26 -4.76 116.66 127.73 1vib n ARG 25 Ca 0.44 -3.59 0.00 0.00 -0.01 0.00 0.00 57.85 54.69 1vib n ARG 25 Cb 0.47 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.65 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 -0.70 0.21 0.00 0.00 0.00 -1.26 -3.76 117.38 111.88 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 0.05 2.61 0.00 -1.26 0.99 105.19 112.59 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 -0.31 0.31 -0.63 1.61 2.85 -1.25 -4.00 118.16 116.73 1vib n LYS 29 Ca 0.00 0.05 0.01 0.00 -1.05 0.00 0.00 58.31 57.32 1vib n LYS 29 Cb 0.00 -1.65 0.21 0.00 -0.65 0.00 0.00 35.03 32.93 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 -2.08 0.76 -1.91 5.58 7.02 0.28 -4.91 117.44 122.17 1vib n TRP 30 Ca 0.02 -1.39 -0.23 0.00 -1.02 0.00 0.00 57.50 54.88 1vib n TRP 30 Cb 0.45 -0.38 -0.07 0.00 -2.42 0.00 0.00 31.31 28.88 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 -3.14 1.36 0.00 6.99 0.00 0.12 -0.10 121.76 126.99 1vib s ALA 31 Ca 0.42 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1vib s ALA 31 Cb 0.38 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.86 1vib s ALA 31 CO 0.01 -5.55 0.00 0.41 0.00 0.00 0.00 175.76 170.62 1vib n GLY 32 N 6.28 0.98 1.08 0.00 0.00 -1.26 -4.91 105.19 107.35 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 -0.21 3.15 -1.88 1.61 4.76 0.86 -4.99 118.16 121.46 1vib n LYS 33 Ca 0.00 -2.55 -0.41 0.00 -2.87 0.00 0.00 58.31 52.48 1vib n LYS 33 Cb 0.00 -1.61 -0.02 0.00 -1.84 0.00 0.00 35.03 31.56 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 -1.60 4.19 0.00 1.97 6.06 -1.12 -0.51 118.95 127.94 1vib s ARG 34 Ca 0.39 2.45 0.00 0.00 -2.50 0.00 0.00 55.73 56.07 1vib s ARG 34 Cb 0.24 -3.07 0.00 0.00 0.06 0.00 0.00 34.95 32.18 1vib s ARG 34 CO 0.20 -0.55 0.00 0.41 -2.50 0.00 0.00 175.30 172.86 1vib n GLY 35 N 2.39 3.08 0.12 8.12 0.00 -1.26 -4.71 105.19 112.93 1vib n GLY 35 Ca 0.08 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 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 0.15 -0.95 1.61 3.64 -1.64 -3.08 116.57 116.30 1vib h LYS 36 Ca 0.00 -0.26 0.17 0.00 -1.27 0.00 0.00 60.65 59.29 1vib h LYS 36 Cb 0.00 0.10 -0.16 0.00 -0.41 0.00 0.00 32.23 31.75 1vib h LYS 36 CO 0.00 1.12 -0.31 0.00 -2.27 0.00 0.00 179.45 177.99 1vib n ALA 38 N -3.56 0.00 -0.33 0.00 0.00 -1.26 -1.08 120.51 114.28 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 0.05 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.90 -0.07 -0.10 0.00 0.00 -0.86 -0.48 120.51 118.10 1vib n ALA 39 Ca 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 53.44 54.23 1vib n ALA 39 Cb 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.00 -0.54 0.00 6.17 -0.69 -0.50 115.15 118.60 1vib h HIS 40 Ca 0.32 0.06 -0.09 0.00 0.71 0.00 0.00 60.37 61.36 1vib h HIS 40 Cb 0.53 0.49 -0.02 0.00 2.52 0.00 0.00 27.41 30.93 1vib h HIS 40 CO -0.75 -0.40 -0.04 0.00 0.71 0.00 0.00 177.93 177.44 1vib h ILE 42 N 0.86 1.20 -0.14 0.00 2.10 -0.08 0.06 117.51 121.52 1vib h ILE 42 Ca 0.15 -0.36 0.04 0.00 1.08 0.00 0.00 64.86 65.77 1vib h ILE 42 Cb 0.57 0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 36.35 1vib h ILE 42 CO 0.03 0.19 0.25 0.40 -1.08 0.00 0.00 178.15 177.94 1vib h ILE 43 N 1.05 0.25 0.00 2.19 2.04 -0.99 0.19 117.51 122.24 1vib h ILE 43 Ca 0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1vib h ILE 43 Cb -0.12 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1vib h ILE 43 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.09 1vib n GLN 44 N -3.41 0.05 -0.05 2.37 3.00 0.01 -0.25 117.38 119.09 1vib n GLN 44 Ca 0.01 0.09 0.01 0.00 -0.01 0.00 0.00 57.00 57.10 1vib n GLN 44 Cb 0.35 -1.57 -0.16 0.00 0.00 0.00 0.00 30.24 28.86 1vib n GLN 44 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1vib n LYS 45 N -1.66 0.68 0.06 -1.09 -0.00 0.64 -3.82 118.16 112.97 1vib n LYS 45 Ca 0.06 -0.11 0.05 0.00 -0.00 0.00 0.00 58.31 58.31 1vib n LYS 45 Cb 0.33 -1.52 -0.05 0.00 -0.00 0.00 0.00 35.03 33.79 1vib n LYS 45 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1vib n ASN 46 N -2.49 0.83 0.08 -5.58 2.85 -0.98 -3.96 115.26 106.01 1vib n ASN 46 Ca -0.18 0.35 -0.20 0.00 -0.11 0.00 0.00 54.58 54.44 1vib n ASN 46 Cb 0.85 0.33 -0.15 0.00 1.24 0.00 0.00 39.78 42.04 1vib n ASN 46 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1vib h ASN 47 N 0.00 0.53 -0.87 1.20 -1.07 -0.80 -3.33 115.58 111.24 1vib h ASN 47 Ca -0.09 -0.71 0.11 0.00 0.07 0.00 0.00 56.30 55.68 1vib h ASN 47 Cb 1.32 -0.17 -0.07 0.00 -2.07 0.00 0.00 38.32 37.33 1vib h ASN 47 CO 0.02 1.59 0.56 0.00 0.07 0.00 0.00 177.43 179.68 1vib h LYS 49 N 0.78 0.00 -0.34 0.00 1.57 -1.69 0.18 116.57 117.07 1vib h LYS 49 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1vib h LYS 49 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1vib h LYS 49 CO -0.18 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.11 1vib n GLY 50 N -0.97 3.75 1.14 3.86 0.00 0.26 -2.95 105.19 110.27 1vib n GLY 50 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.19 0.00 -0.02 1.61 4.81 0.47 -4.90 118.16 119.95 1vib n LYS 51 Ca 0.23 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.75 1vib n LYS 51 Cb 0.96 -0.42 -0.16 0.00 0.02 0.00 0.00 35.03 35.43 1vib n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vib n LYS 53 N -2.26 2.21 -4.17 0.00 5.02 -1.15 -4.96 118.16 112.84 1vib n LYS 53 Ca -0.06 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.07 1vib n LYS 53 Cb 0.59 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.47 1vib n LYS 53 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1vib s LYS 54 N -1.27 0.57 0.00 1.97 0.00 -1.22 -4.46 119.74 115.34 1vib s LYS 54 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 55.97 55.47 1vib s LYS 54 Cb 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 37.83 37.36 1vib s LYS 54 CO 0.00 0.12 0.53 -1.91 0.00 0.00 0.00 175.35 174.09