#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 0.00 -0.36 4.61 0.00 -1.26 -4.91 120.51 118.59 1bus n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bus n ALA 3 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1bus n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bus n GLN 4 N -2.00 0.00 -3.43 0.00 10.64 -1.26 -4.71 117.38 116.62 1bus n GLN 4 Ca 0.00 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.88 1bus n GLN 4 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1bus n GLN 4 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1bus s VAL 5 N 0.00 5.06 0.31 -0.39 1.01 -1.26 -5.10 120.40 120.03 1bus s VAL 5 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1bus s VAL 5 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1bus s VAL 5 CO 0.00 -0.25 0.13 1.51 0.00 0.00 0.00 175.10 176.48 1bus s ASP 6 N -3.06 1.69 0.11 3.32 1.47 -1.26 -5.07 116.67 113.86 1bus s ASP 6 Ca 0.43 -1.51 0.00 0.00 1.18 0.00 0.00 52.55 52.65 1bus s ASP 6 Cb -0.11 0.29 0.00 0.00 -0.34 0.00 0.00 42.92 42.76 1bus s ASP 6 CO 0.29 -0.82 0.00 0.00 0.68 0.00 0.00 175.17 175.32 1bus h ALA 8 N 0.00 1.00 -0.01 0.00 0.00 -1.99 -2.76 119.26 115.50 1bus h ALA 8 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bus h ALA 8 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1bus h ALA 8 CO 0.00 0.01 -0.07 0.39 0.00 0.00 0.00 179.25 179.58 1bus n GLU 9 N -3.10 0.94 -2.56 0.00 4.71 -1.26 -3.67 120.64 115.69 1bus n GLU 9 Ca 0.02 -0.33 -0.12 0.00 -0.01 0.00 0.00 57.16 56.73 1bus n GLU 9 Cb 0.43 -1.49 0.03 0.00 -1.01 0.00 0.00 31.44 29.40 1bus n GLU 9 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1bus n PHE 10 N -0.75 1.89 0.00 -0.32 -0.00 -1.04 -4.94 117.46 112.29 1bus n PHE 10 Ca 0.17 -2.51 0.00 0.00 -0.00 0.00 0.00 57.45 55.11 1bus n PHE 10 Cb 0.26 -0.27 0.00 0.00 -0.00 0.00 0.00 39.48 39.47 1bus n PHE 10 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.76 177.12 1bus n LYS 11 N -0.44 0.00 -1.94 -4.13 -0.00 -1.22 -4.95 118.16 105.47 1bus n LYS 11 Ca 0.20 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.22 1bus n LYS 11 Cb 0.82 -0.13 0.07 0.00 -0.00 0.00 0.00 35.03 35.79 1bus n LYS 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1bus s ASP 12 N -1.05 4.81 -0.11 -5.58 1.01 -1.26 -4.50 116.67 109.99 1bus s ASP 12 Ca 0.00 0.83 -0.13 0.00 0.71 0.00 0.00 52.55 53.97 1bus s ASP 12 Cb 0.00 -1.44 -0.04 0.00 1.01 0.00 0.00 42.92 42.45 1bus s ASP 12 CO 0.00 -1.71 -0.25 -0.81 0.21 0.00 0.00 175.17 172.62 1bus n PRO 13 N -3.18 0.37 0.09 8.23 -0.05 -1.26 -4.83 135.00 134.37 1bus n PRO 13 Ca 0.08 0.15 0.06 0.00 -0.05 0.00 0.00 63.50 63.73 1bus n PRO 13 Cb 0.60 -1.14 0.33 0.00 -0.05 0.00 0.00 33.50 33.23 1bus n PRO 13 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1bus n LYS 14 N -4.08 0.08 -1.76 0.54 3.00 -1.26 -4.93 118.16 109.75 1bus n LYS 14 Ca -0.10 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 1bus n LYS 14 Cb 0.37 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.63 1bus n LYS 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1bus n VAL 15 N -1.92 -0.89 -5.04 3.15 0.31 -1.26 -4.97 118.33 107.72 1bus n VAL 15 Ca -0.01 0.20 -0.31 0.00 -0.01 0.00 0.00 64.34 64.21 1bus n VAL 15 Cb 0.03 -1.42 -0.15 0.00 -0.91 0.00 0.00 33.84 31.39 1bus n VAL 15 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1bus s TYR 16 N -0.40 2.44 -0.43 3.52 1.13 -1.26 -5.02 117.35 117.32 1bus s TYR 16 Ca 0.00 -0.35 0.08 0.00 -1.41 0.00 0.00 57.07 55.39 1bus s TYR 16 Cb 0.00 -1.50 0.32 0.00 -1.10 0.00 0.00 41.96 39.68 1bus s TYR 16 CO 0.00 0.09 0.95 0.00 -2.51 0.00 0.00 175.55 174.08 1bus n THR 18 N 0.50 0.00 -3.74 0.00 -2.24 -1.26 -4.94 114.28 102.60 1bus n THR 18 Ca 0.13 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1bus n THR 18 Cb 0.67 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1bus n THR 18 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bus n ARG 19 N -1.02 0.87 -2.22 -0.78 5.12 -1.26 -5.07 116.66 112.30 1bus n ARG 19 Ca -0.13 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.37 1bus n ARG 19 Cb 0.78 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.08 1bus n ARG 19 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1bus n GLU 20 N 0.00 3.70 -2.76 5.56 4.71 -1.26 -4.38 120.64 126.22 1bus n GLU 20 Ca 0.00 -3.42 -0.02 0.00 -0.01 0.00 0.00 57.16 53.72 1bus n GLU 20 Cb 0.00 -2.91 0.08 0.00 -1.01 0.00 0.00 31.44 27.61 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 3.71 0.19 0.08 1.62 7.64 -1.26 -4.97 113.62 120.63 1bus n SER 21 Ca 0.45 -2.16 0.12 0.00 1.01 0.00 0.00 58.87 58.29 1bus n SER 21 Cb 0.34 0.05 0.15 0.00 -1.01 0.00 0.00 64.21 63.75 1bus n SER 21 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1bus h ASN 22 N 1.96 0.00 -3.36 6.43 -0.00 -1.76 -2.61 115.58 116.24 1bus h ASN 22 Ca -0.27 -0.16 -0.77 0.00 -0.00 0.00 0.00 56.30 55.10 1bus h ASN 22 Cb 1.28 0.00 -0.24 0.00 -0.00 0.00 0.00 38.32 39.35 1bus h ASN 22 CO 0.04 0.08 -0.04 -2.16 -0.00 0.00 0.00 177.43 175.35 1bus s PRO 23 N -3.20 3.26 -0.13 6.67 0.04 -1.24 -3.53 135.00 136.87 1bus s PRO 23 Ca 0.05 -2.00 -0.12 0.00 0.04 0.00 0.00 61.00 58.98 1bus s PRO 23 Cb 0.12 -4.37 0.03 0.00 0.04 0.00 0.00 34.50 30.33 1bus s PRO 23 CO 0.73 -1.34 0.34 -3.38 0.04 0.00 0.00 177.00 173.39 1bus s HIS 24 N 1.11 -0.38 0.89 0.56 -3.43 -0.53 -1.12 115.29 112.39 1bus s HIS 24 Ca 0.11 0.92 -0.13 0.00 -0.80 0.00 0.00 55.06 55.15 1bus s HIS 24 Cb -0.21 0.13 0.13 0.00 -1.43 0.00 0.00 32.58 31.20 1bus s HIS 24 CO -0.02 -0.18 1.17 0.00 -2.00 0.00 0.00 174.74 173.71 1bus s GLY 26 N -4.31 1.67 0.00 0.00 0.00 0.15 -3.22 107.32 101.60 1bus s GLY 26 Ca 0.65 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1bus s GLY 26 CO 0.52 -1.69 0.22 -1.14 0.00 0.00 0.00 173.10 171.01 1bus n SER 27 N -0.78 0.00 -1.57 1.64 3.41 0.12 -4.38 113.62 112.06 1bus n SER 27 Ca -0.07 0.22 0.03 0.00 -0.26 0.00 0.00 58.87 58.79 1bus n SER 27 Cb 0.59 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.40 0.98 0.00 4.04 0.23 -1.26 -4.87 115.26 113.97 1bus n ASN 28 Ca 0.00 -2.00 -0.03 0.00 -0.53 0.00 0.00 54.58 52.02 1bus n ASN 28 Cb 0.00 -0.29 -0.01 0.00 -2.08 0.00 0.00 39.78 37.40 1bus n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bus n GLY 29 N 0.42 -0.20 0.00 4.83 0.00 -1.26 -5.12 105.19 103.86 1bus n GLY 29 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1bus n GLY 29 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bus n GLU 30 N -3.70 0.00 -4.31 1.61 1.02 -1.26 -5.06 120.64 108.94 1bus n GLU 30 Ca -0.04 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.76 1bus n GLU 30 Cb 0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.45 1bus n GLU 30 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1bus s THR 31 N -2.99 3.70 0.11 2.62 2.01 -1.26 0.32 115.64 120.15 1bus s THR 31 Ca 0.00 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 1bus s THR 31 Cb 0.00 -2.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.82 1bus s THR 31 CO 0.00 0.47 0.39 -0.31 -0.69 0.00 0.00 174.62 174.48 1bus s TYR 32 N 0.68 3.53 0.00 4.92 1.51 0.17 -4.79 117.35 123.37 1bus s TYR 32 Ca -0.02 0.68 0.00 0.00 -1.01 0.00 0.00 57.07 56.72 1bus s TYR 32 Cb -0.15 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1bus s TYR 32 CO 0.02 0.48 0.00 0.41 -1.11 0.00 0.00 175.55 175.35 1bus n GLY 33 N 0.53 0.83 3.73 0.71 0.00 -1.23 -1.45 105.19 108.32 1bus n GLY 33 Ca -0.05 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1bus n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bus s ASN 34 N -1.05 7.35 0.27 1.61 -0.87 -1.25 -3.71 114.94 117.30 1bus s ASN 34 Ca 0.00 1.98 -0.08 0.00 -1.57 0.00 0.00 52.86 53.19 1bus s ASN 34 Cb 0.00 -2.60 0.46 0.00 -0.02 0.00 0.00 41.25 39.09 1bus s ASN 34 CO 0.00 -0.17 1.58 0.50 -2.57 0.00 0.00 177.10 176.44 1bus h LYS 35 N 5.34 0.01 0.12 -0.60 3.11 -1.81 0.63 116.57 123.37 1bus h LYS 35 Ca -0.44 -0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.42 1bus h LYS 35 Cb 1.21 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.42 1bus h LYS 35 CO 0.72 0.00 -0.20 0.00 -2.81 0.00 0.00 179.45 177.17 1bus h ALA 37 N 0.42 -0.41 -0.70 0.00 0.00 -0.31 -1.34 119.26 116.92 1bus h ALA 37 Ca 0.02 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1bus h ALA 37 Cb 0.39 0.62 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 1bus h ALA 37 CO -0.10 -0.82 -0.19 0.35 0.00 0.00 0.00 179.25 178.49 1bus h PHE 38 N -0.42 -0.42 0.34 0.00 3.04 0.13 0.52 116.94 120.14 1bus h PHE 38 Ca 0.09 0.06 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1bus h PHE 38 Cb 0.56 0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.36 1bus h PHE 38 CO -0.40 -0.31 -0.16 0.00 -2.02 0.00 0.00 178.31 175.42 1bus h LYS 40 N -0.52 0.51 0.38 0.00 1.57 -0.01 -0.06 116.57 118.45 1bus h LYS 40 Ca -0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1bus h LYS 40 Cb 0.39 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1bus h LYS 40 CO 0.08 0.34 -0.18 0.00 -0.57 0.00 0.00 179.45 179.11 1bus h ALA 41 N 1.63 -0.52 -1.03 3.86 0.00 0.53 -3.11 119.26 120.62 1bus h ALA 41 Ca 0.56 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 55.60 1bus h ALA 41 Cb 1.22 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1bus h ALA 41 CO -0.30 -0.54 0.74 0.28 0.00 0.00 0.00 179.25 179.43 1bus h VAL 42 N -1.01 0.48 -0.07 0.00 2.07 0.43 0.54 116.25 118.68 1bus h VAL 42 Ca -0.05 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1bus h VAL 42 Cb 0.52 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1bus h VAL 42 CO 0.09 0.00 -0.45 -0.03 0.02 0.00 0.00 177.57 177.20 1bus h MET 43 N 0.01 -0.54 0.00 1.57 -1.53 -0.98 -3.35 114.93 110.11 1bus h MET 43 Ca 0.49 0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.79 1bus h MET 43 Cb 1.97 0.12 0.00 0.00 -0.55 0.00 0.00 31.60 33.14 1bus h MET 43 CO -0.01 -0.36 0.00 1.17 0.14 0.00 0.00 176.91 177.85 1bus n LYS 44 N -5.45 0.00 -2.01 0.39 4.81 0.02 -4.87 118.16 111.05 1bus n LYS 44 Ca -0.05 0.06 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1bus n LYS 44 Cb 0.37 -0.40 -0.02 0.00 0.02 0.00 0.00 35.03 35.00 1bus n LYS 44 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1bus n SER 45 N -1.09 -0.51 0.00 3.14 7.64 0.17 -2.30 113.62 120.67 1bus n SER 45 Ca 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1bus n SER 45 Cb 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1bus n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bus n GLY 46 N -0.49 2.05 0.00 0.23 0.00 -1.26 -4.10 105.19 101.62 1bus n GLY 46 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.66 2.77 -0.02 0.00 -0.97 -5.08 105.19 102.55 1bus n GLY 47 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1bus n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bus s LYS 48 N 0.00 1.63 0.27 1.61 2.20 -1.26 -5.09 119.74 119.11 1bus s LYS 48 Ca 0.00 -2.41 0.02 0.00 -0.36 0.00 0.00 55.97 53.21 1bus s LYS 48 Cb 0.00 -2.67 -0.05 0.00 -1.51 0.00 0.00 37.83 33.59 1bus s LYS 48 CO 0.00 -1.20 0.09 0.42 -0.36 0.00 0.00 175.35 174.30 1bus s ILE 49 N -0.17 0.68 0.08 5.43 1.09 -1.26 -4.81 121.20 122.24 1bus s ILE 49 Ca 0.20 -2.00 -0.26 0.00 -1.10 0.00 0.00 60.65 57.50 1bus s ILE 49 Cb -0.18 -2.67 0.09 0.00 -1.06 0.00 0.00 42.46 38.64 1bus s ILE 49 CO -0.05 0.00 1.16 0.20 -0.10 0.00 0.00 174.94 176.15 1bus s ASN 50 N -3.35 -0.02 1.16 3.58 0.01 -1.26 -4.93 114.94 110.13 1bus s ASN 50 Ca 0.37 -0.41 -0.16 0.00 -0.71 0.00 0.00 52.86 51.95 1bus s ASN 50 Cb 0.08 0.32 0.25 0.00 0.41 0.00 0.00 41.25 42.31 1bus s ASN 50 CO 0.14 -0.64 0.56 -0.11 -1.51 0.00 0.00 177.10 175.55 1bus n LEU 51 N -0.73 0.00 0.00 0.60 -0.00 -1.26 0.15 117.00 115.76 1bus n LEU 51 Ca -0.02 -0.57 0.00 0.00 -0.00 0.00 0.00 56.01 55.42 1bus n LEU 51 Cb 0.60 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 1bus n LEU 51 CO 0.17 -2.50 0.00 1.17 -0.00 0.00 0.00 177.39 176.23 1bus n LYS 52 N -3.11 0.00 0.00 1.96 3.00 -1.20 -1.34 118.16 117.48 1bus n LYS 52 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1bus n LYS 52 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.42 1bus n LYS 52 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1bus n HIS 53 N 0.00 0.00 -1.45 5.64 1.44 -1.26 0.50 115.22 120.09 1bus n HIS 53 Ca 0.00 0.00 -0.47 0.00 -2.01 0.00 0.00 57.72 55.24 1bus n HIS 53 Cb 0.00 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.09 1bus n HIS 53 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 1bus n ARG 54 N 0.00 0.38 0.00 -1.40 -4.01 -1.26 0.33 116.66 110.70 1bus n ARG 54 Ca 0.00 0.13 0.00 0.00 -1.04 0.00 0.00 57.85 56.94 1bus n ARG 54 Cb 0.00 -1.24 0.00 0.00 -3.04 0.00 0.00 32.46 28.18 1bus n ARG 54 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1bus n GLY 55 N 1.80 -1.06 3.69 2.89 0.00 -0.27 -2.57 105.19 109.67 1bus n GLY 55 Ca 0.15 0.06 -0.55 0.00 0.00 0.00 0.00 46.02 45.69 1bus n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bus n LYS 56 N -0.10 1.39 0.00 1.61 4.01 -1.26 -3.83 118.16 119.98 1bus n LYS 56 Ca 0.00 0.51 0.12 0.00 -0.51 0.00 0.00 58.31 58.43 1bus n LYS 56 Cb 0.00 -2.23 0.10 0.00 -0.51 0.00 0.00 35.03 32.39 1bus n LYS 56 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29