#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bus n ALA 3 N 0.00 0.68 -1.99 4.61 0.00 -1.26 -4.86 120.51 117.70 1bus n ALA 3 Ca 0.00 0.31 -0.38 0.00 0.00 0.00 0.00 53.44 53.37 1bus n ALA 3 Cb 0.00 -2.44 0.02 0.00 0.00 0.00 0.00 19.45 17.03 1bus n ALA 3 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bus n GLN 4 N 6.26 3.30 -1.43 0.00 1.13 -1.26 -4.68 117.38 120.70 1bus n GLN 4 Ca 0.23 -3.53 -0.34 0.00 -1.94 0.00 0.00 57.00 51.42 1bus n GLN 4 Cb 0.26 -2.31 0.07 0.00 0.11 0.00 0.00 30.24 28.38 1bus n GLN 4 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1bus n VAL 5 N -0.08 3.51 -2.51 5.09 0.31 -1.26 -4.98 118.33 118.41 1bus n VAL 5 Ca 0.52 -3.13 -0.32 0.00 -0.01 0.00 0.00 64.34 61.40 1bus n VAL 5 Cb 0.29 -1.16 -0.04 0.00 -0.91 0.00 0.00 33.84 32.02 1bus n VAL 5 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1bus s ASP 6 N -2.01 6.70 -0.00 4.52 1.11 -1.26 -4.99 116.67 120.74 1bus s ASP 6 Ca 0.63 1.59 0.00 0.00 0.18 0.00 0.00 52.55 54.95 1bus s ASP 6 Cb 0.50 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.97 1bus s ASP 6 CO -0.02 -0.53 0.58 0.00 1.18 0.00 0.00 175.17 176.38 1bus n ALA 8 N -0.05 0.89 0.60 0.00 0.00 -1.26 -4.02 120.51 116.68 1bus n ALA 8 Ca 0.00 -0.61 0.06 0.00 0.00 0.00 0.00 53.44 52.89 1bus n ALA 8 Cb 0.50 -0.53 0.32 0.00 0.00 0.00 0.00 19.45 19.74 1bus n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bus n GLU 9 N -3.98 0.17 -0.31 0.00 4.71 -1.26 -2.50 120.64 117.47 1bus n GLU 9 Ca -0.35 0.17 0.07 0.00 -0.01 0.00 0.00 57.16 57.05 1bus n GLU 9 Cb 0.86 -1.50 0.12 0.00 -1.01 0.00 0.00 31.44 29.91 1bus n GLU 9 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 1bus n PHE 10 N -1.30 0.00 0.00 -0.32 -1.74 -1.26 -4.86 117.46 107.98 1bus n PHE 10 Ca 0.06 -0.86 0.00 0.00 -0.56 0.00 0.00 57.45 56.09 1bus n PHE 10 Cb 0.11 -0.15 0.00 0.00 1.52 0.00 0.00 39.48 40.96 1bus n PHE 10 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1bus n LYS 11 N -1.01 0.00 -3.21 3.97 5.02 -1.04 -4.32 118.16 117.56 1bus n LYS 11 Ca 0.13 0.27 -0.22 0.00 -2.02 0.00 0.00 58.31 56.46 1bus n LYS 11 Cb 0.69 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1bus n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bus s ASP 12 N -2.02 6.00 -0.23 4.39 1.01 -1.26 -3.67 116.67 120.89 1bus s ASP 12 Ca 0.00 0.25 -0.07 0.00 0.71 0.00 0.00 52.55 53.43 1bus s ASP 12 Cb 0.00 -1.64 -0.03 0.00 1.01 0.00 0.00 42.92 42.26 1bus s ASP 12 CO 0.00 -0.52 0.07 -2.16 0.21 0.00 0.00 175.17 172.77 1bus s PRO 13 N -4.40 3.76 -0.99 8.23 0.04 -1.26 -4.85 135.00 135.52 1bus s PRO 13 Ca 0.45 -0.43 -0.13 0.00 0.04 0.00 0.00 61.00 60.93 1bus s PRO 13 Cb -0.10 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 1bus s PRO 13 CO 0.36 -0.05 0.73 0.36 0.04 0.00 0.00 177.00 178.44 1bus n LYS 14 N 4.51 -1.28 0.00 4.56 2.85 -1.26 -4.97 118.16 122.57 1bus n LYS 14 Ca -0.16 0.72 0.00 0.00 -1.05 0.00 0.00 58.31 57.82 1bus n LYS 14 Cb 0.52 -3.99 0.00 0.00 -0.65 0.00 0.00 35.03 30.91 1bus n LYS 14 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1bus n VAL 15 N -3.38 0.00 -2.56 0.58 0.31 -1.24 -5.01 118.33 107.02 1bus n VAL 15 Ca -0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.77 1bus n VAL 15 Cb 0.60 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1bus n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bus n TYR 16 N -0.40 4.50 -3.85 3.52 4.11 -1.26 -4.98 117.16 118.80 1bus n TYR 16 Ca 0.00 -3.00 -0.09 0.00 -0.00 0.00 0.00 57.90 54.81 1bus n TYR 16 Cb 0.00 -2.46 0.01 0.00 -0.00 0.00 0.00 39.34 36.89 1bus n TYR 16 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1bus n THR 18 N -0.52 0.00 -2.23 0.00 -2.24 -1.26 -4.48 114.28 103.56 1bus n THR 18 Ca -0.06 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 1bus n THR 18 Cb 0.60 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 1bus n THR 18 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bus s ARG 19 N 0.00 2.92 0.08 -0.78 3.00 -1.26 -4.92 118.95 117.99 1bus s ARG 19 Ca 0.00 -0.52 -0.35 0.00 0.00 0.00 0.00 55.73 54.86 1bus s ARG 19 Cb 0.00 -5.10 -0.15 0.00 0.00 0.00 0.00 34.95 29.70 1bus s ARG 19 CO 0.00 -2.92 1.53 0.39 0.00 0.00 0.00 175.30 174.31 1bus n GLU 20 N 8.90 1.73 -1.00 3.54 4.71 -1.26 -4.89 120.64 132.37 1bus n GLU 20 Ca 0.36 0.63 -0.09 0.00 -0.01 0.00 0.00 57.16 58.04 1bus n GLU 20 Cb 0.49 -2.35 0.17 0.00 -1.01 0.00 0.00 31.44 28.74 1bus n GLU 20 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1bus n SER 21 N 3.55 3.09 0.00 1.62 7.64 -1.26 -4.91 113.62 123.35 1bus n SER 21 Ca 0.19 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1bus n SER 21 Cb 0.24 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1bus n SER 21 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bus n ASN 22 N -1.07 0.00 -4.56 6.43 2.04 -1.26 -5.05 115.26 111.79 1bus n ASN 22 Ca 0.37 0.00 -0.32 0.00 -0.44 0.00 0.00 54.58 54.19 1bus n ASN 22 Cb 1.03 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 38.24 1bus n ASN 22 CO 0.00 0.00 0.00 -2.84 -0.44 0.00 0.00 177.26 173.98 1bus s PRO 23 N 0.00 2.60 -0.04 -0.53 0.02 -1.26 -4.02 135.00 131.77 1bus s PRO 23 Ca 0.00 0.13 0.01 0.00 0.02 0.00 0.00 61.00 61.16 1bus s PRO 23 Cb 0.00 -4.74 -0.03 0.00 0.02 0.00 0.00 34.50 29.75 1bus s PRO 23 CO 0.00 -3.06 -0.03 -3.38 -0.33 0.00 0.00 177.00 170.20 1bus s HIS 24 N 9.56 3.01 -0.19 6.54 -3.43 0.13 -3.93 115.29 126.98 1bus s HIS 24 Ca 0.68 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 55.00 1bus s HIS 24 Cb -0.09 -1.69 0.01 0.00 -1.43 0.00 0.00 32.58 29.38 1bus s HIS 24 CO 0.09 0.41 -0.17 0.00 -2.00 0.00 0.00 174.74 173.07 1bus n GLY 26 N 4.64 -1.04 0.00 0.00 0.00 0.43 -1.08 105.19 108.15 1bus n GLY 26 Ca -0.20 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1bus n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bus n SER 27 N 0.57 0.00 -1.84 1.61 3.41 0.19 -3.73 113.62 113.83 1bus n SER 27 Ca 0.03 0.50 -0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1bus n SER 27 Cb 0.15 -0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1bus n SER 27 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1bus n ASN 28 N -0.80 0.29 0.00 4.04 6.94 -1.26 -4.67 115.26 119.80 1bus n ASN 28 Ca 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 1bus n ASN 28 Cb 0.00 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1bus n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bus n GLY 29 N -0.15 0.00 3.45 4.83 0.00 -1.26 -5.13 105.19 106.92 1bus n GLY 29 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1bus n GLY 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bus s GLU 30 N -1.86 1.04 -0.29 1.61 -1.05 -1.26 -5.04 118.70 111.86 1bus s GLU 30 Ca 0.00 0.01 -0.09 0.00 -0.15 0.00 0.00 54.97 54.74 1bus s GLU 30 Cb 0.00 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.16 1bus s GLU 30 CO 0.00 -0.35 0.13 0.99 0.95 0.00 0.00 175.26 176.97 1bus s THR 31 N -1.81 4.57 0.00 1.83 2.01 -1.26 -0.42 115.64 120.55 1bus s THR 31 Ca -0.08 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1bus s THR 31 Cb -0.01 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1bus s THR 31 CO 0.04 0.17 0.00 0.00 -0.69 0.00 0.00 174.62 174.14 1bus n TYR 32 N 4.97 0.00 0.00 4.92 4.11 -0.56 -5.02 117.16 125.57 1bus n TYR 32 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 1bus n TYR 32 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.84 1bus n TYR 32 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1bus n GLY 33 N 0.00 0.44 3.70 -7.48 0.00 -1.25 0.23 105.19 100.83 1bus n GLY 33 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1bus n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bus s ASN 34 N 0.00 6.74 0.33 1.61 2.20 -1.26 -4.28 114.94 120.29 1bus s ASN 34 Ca 0.00 2.36 0.10 0.00 -0.94 0.00 0.00 52.86 54.38 1bus s ASN 34 Cb 0.00 -2.58 1.00 0.00 -2.00 0.00 0.00 41.25 37.67 1bus s ASN 34 CO 0.00 -0.74 1.58 0.11 -2.94 0.00 0.00 177.10 175.11 1bus h LYS 35 N 7.32 0.03 -0.03 3.55 6.56 -1.91 0.55 116.57 132.63 1bus h LYS 35 Ca -0.41 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.17 1bus h LYS 35 Cb 1.20 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1bus h LYS 35 CO 0.89 0.02 0.00 0.00 -2.06 0.00 0.00 179.45 178.31 1bus h ALA 37 N 0.72 -0.26 0.11 0.00 0.00 -0.21 0.24 119.26 119.85 1bus h ALA 37 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1bus h ALA 37 Cb 0.31 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1bus h ALA 37 CO 0.00 -0.76 -0.05 0.35 0.00 0.00 0.00 179.25 178.79 1bus h PHE 38 N -0.30 -0.14 -0.33 0.00 3.57 -1.15 0.63 116.94 119.22 1bus h PHE 38 Ca 0.14 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1bus h PHE 38 Cb 0.54 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1bus h PHE 38 CO -0.50 -0.06 0.19 0.00 -2.23 0.00 0.00 178.31 175.71 1bus h LYS 40 N 0.42 0.54 0.44 0.00 3.64 -0.44 0.73 116.57 121.91 1bus h LYS 40 Ca 0.12 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1bus h LYS 40 Cb 0.04 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1bus h LYS 40 CO -0.02 0.36 -0.21 0.00 -2.27 0.00 0.00 179.45 177.30 1bus h ALA 41 N 1.33 -0.59 -1.13 5.00 0.00 -0.65 -3.15 119.26 120.07 1bus h ALA 41 Ca 0.27 -0.13 0.33 0.00 0.00 0.00 0.00 54.91 55.37 1bus h ALA 41 Cb 0.20 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1bus h ALA 41 CO -0.19 -0.55 0.72 0.28 0.00 0.00 0.00 179.25 179.51 1bus h VAL 42 N -1.16 0.37 0.41 0.00 2.07 -0.84 0.68 116.25 117.78 1bus h VAL 42 Ca -0.06 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1bus h VAL 42 Cb 0.46 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1bus h VAL 42 CO 0.10 0.05 -0.28 -0.03 0.02 0.00 0.00 177.57 177.43 1bus h MET 43 N 0.28 -0.63 -2.10 1.57 -1.53 -0.87 -2.55 114.93 109.10 1bus h MET 43 Ca 0.68 0.04 -0.54 0.00 -3.44 0.00 0.00 59.70 56.45 1bus h MET 43 Cb 1.88 0.14 -0.17 0.00 -0.55 0.00 0.00 31.60 32.91 1bus h MET 43 CO -0.37 -0.42 0.72 1.63 0.14 0.00 0.00 176.91 178.61 1bus n LYS 44 N -4.08 2.78 -0.10 0.39 5.02 0.05 -4.30 118.16 117.91 1bus n LYS 44 Ca -0.08 -2.52 -0.24 0.00 -2.02 0.00 0.00 58.31 53.45 1bus n LYS 44 Cb 0.28 -2.22 -0.12 0.00 -0.02 0.00 0.00 35.03 32.95 1bus n LYS 44 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1bus n SER 45 N 1.04 1.96 0.00 4.39 3.41 -0.13 -4.92 113.62 119.37 1bus n SER 45 Ca 0.51 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 1bus n SER 45 Cb 0.50 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1bus n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bus n GLY 46 N 1.63 2.29 0.00 5.00 0.00 -1.26 -4.82 105.19 108.03 1bus n GLY 46 Ca -0.42 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1bus n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bus n GLY 47 N 0.00 1.94 0.65 -0.02 0.00 -1.26 -5.01 105.19 101.49 1bus n GLY 47 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bus n GLY 47 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bus n LYS 48 N -0.58 0.00 -3.74 1.61 0.00 -1.26 -5.01 118.16 109.19 1bus n LYS 48 Ca 0.00 -0.82 -0.35 0.00 -0.00 0.00 0.00 58.31 57.14 1bus n LYS 48 Cb 0.00 -0.22 -0.10 0.00 -0.00 0.00 0.00 35.03 34.71 1bus n LYS 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1bus s ILE 49 N 0.00 3.67 0.00 0.58 1.01 -1.26 -4.96 121.20 120.24 1bus s ILE 49 Ca 0.04 -3.22 0.00 0.00 0.00 0.00 0.00 60.65 57.47 1bus s ILE 49 Cb 0.05 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1bus s ILE 49 CO -0.02 -0.91 0.00 -3.20 0.00 0.00 0.00 174.94 170.81 1bus n ASN 50 N 3.17 0.00 -4.01 3.58 5.15 -1.26 -4.71 115.26 117.18 1bus n ASN 50 Ca 0.10 -0.61 -0.15 0.00 -0.60 0.00 0.00 54.58 53.32 1bus n ASN 50 Cb 0.37 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.49 1bus n ASN 50 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1bus s LEU 51 N 0.00 2.12 -0.30 1.20 0.05 -1.26 0.53 118.68 121.01 1bus s LEU 51 Ca 0.00 -0.30 0.19 0.00 0.05 0.00 0.00 54.13 54.07 1bus s LEU 51 Cb 0.00 -0.25 0.48 0.00 -2.05 0.00 0.00 46.19 44.37 1bus s LEU 51 CO 0.00 -0.04 1.04 0.29 -0.55 0.00 0.00 176.35 177.09 1bus n LYS 52 N 2.31 1.66 0.03 1.48 4.76 -1.10 -4.83 118.16 122.47 1bus n LYS 52 Ca -0.17 -3.48 0.01 0.00 -2.87 0.00 0.00 58.31 51.79 1bus n LYS 52 Cb 0.57 -1.52 0.04 0.00 -1.84 0.00 0.00 35.03 32.28 1bus n LYS 52 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1bus n HIS 53 N -0.36 0.06 -2.50 2.13 8.25 -0.24 -4.33 115.22 118.22 1bus n HIS 53 Ca 0.12 0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 57.18 1bus n HIS 53 Cb 0.81 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.67 1bus n HIS 53 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1bus s ARG 54 N -2.53 3.96 7.34 -0.41 1.04 -1.26 -1.43 118.95 125.65 1bus s ARG 54 Ca -0.00 1.16 0.00 0.00 -1.04 0.00 0.00 55.73 55.85 1bus s ARG 54 Cb 0.00 -3.83 0.00 0.00 -2.04 0.00 0.00 34.95 29.08 1bus s ARG 54 CO 0.01 -1.05 0.00 0.41 -0.04 0.00 0.00 175.30 174.63 1bus n GLY 55 N 4.18 3.51 3.46 3.88 0.00 -1.25 -4.55 105.19 114.42 1bus n GLY 55 Ca 0.14 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1bus n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bus s LYS 56 N 0.00 -1.67 0.00 1.61 -0.14 -1.26 -2.58 119.74 115.70 1bus s LYS 56 Ca 0.00 0.29 0.03 0.00 -1.36 0.00 0.00 55.97 54.93 1bus s LYS 56 Cb 0.00 -1.51 0.17 0.00 -1.68 0.00 0.00 37.83 34.80 1bus s LYS 56 CO 0.00 -4.08 0.65 0.00 -0.76 0.00 0.00 175.35 171.16