#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myk s MET 7 N 0.00 2.87 -0.26 1.97 1.00 -1.26 -5.06 119.30 118.56 1myk s MET 7 Ca 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 55.69 56.12 1myk s MET 7 Cb 0.00 -2.03 0.13 0.00 0.00 0.00 0.00 34.83 32.93 1myk s MET 7 CO 0.00 -1.02 0.35 -1.17 0.00 0.00 0.00 175.02 173.18 1myk s LEU 8 N -5.34 -0.52 0.35 -0.03 0.20 -1.26 -5.13 118.68 106.94 1myk s LEU 8 Ca 0.58 -0.16 -0.28 0.00 0.69 0.00 0.00 54.13 54.97 1myk s LEU 8 Cb -0.11 0.90 -0.09 0.00 -0.43 0.00 0.00 46.19 46.46 1myk s LEU 8 CO 0.51 -0.33 1.21 0.00 -0.29 0.00 0.00 176.35 177.45 1myk s GLN 9 N 2.48 4.31 0.22 1.98 1.03 -1.26 -5.03 119.66 123.39 1myk s GLN 9 Ca 0.11 1.98 -0.18 0.00 0.04 0.00 0.00 55.36 57.30 1myk s GLN 9 Cb -0.14 -2.95 0.03 0.00 0.03 0.00 0.00 33.01 29.97 1myk s GLN 9 CO -0.22 -0.15 0.57 -0.59 -2.54 0.00 0.00 175.29 172.37 1myk s PHE 10 N -1.25 -0.13 0.15 9.60 -0.71 -1.26 -5.19 117.98 119.20 1myk s PHE 10 Ca 0.51 -0.23 0.06 0.00 -1.04 0.00 0.00 56.93 56.23 1myk s PHE 10 Cb -0.35 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.88 1myk s PHE 10 CO 0.45 -0.99 -0.13 0.54 -1.34 0.00 0.00 175.22 173.75 1myk s ASN 11 N -2.89 2.03 0.39 1.98 2.20 -1.26 -5.15 114.94 112.26 1myk s ASN 11 Ca 0.10 -0.93 0.04 0.00 -0.94 0.00 0.00 52.86 51.13 1myk s ASN 11 Cb -0.02 -0.06 -0.05 0.00 -2.00 0.00 0.00 41.25 39.11 1myk s ASN 11 CO -0.00 -0.22 0.04 -0.76 -2.94 0.00 0.00 177.10 173.22 1myk s LEU 12 N -2.90 2.38 -0.22 3.54 1.43 -1.26 -5.14 118.68 116.51 1myk s LEU 12 Ca 0.15 -1.46 -0.04 0.00 -1.03 0.00 0.00 54.13 51.75 1myk s LEU 12 Cb -0.01 -0.56 0.09 0.00 0.03 0.00 0.00 46.19 45.74 1myk s LEU 12 CO 0.03 -0.65 0.19 -0.60 0.23 0.00 0.00 176.35 175.55 1myk s ARG 13 N -3.81 0.18 0.23 1.70 3.52 -1.26 -5.15 118.95 114.36 1myk s ARG 13 Ca 0.29 -0.01 0.11 0.00 -0.13 0.00 0.00 55.73 55.99 1myk s ARG 13 Cb 0.07 -1.25 -0.05 0.00 -1.56 0.00 0.00 34.95 32.16 1myk s ARG 13 CO 0.14 -0.76 -0.21 -1.58 -0.81 0.00 0.00 175.30 172.08 1myk s TRP 14 N 2.26 2.19 0.11 5.12 0.51 -1.26 -5.10 118.94 122.76 1myk s TRP 14 Ca 0.07 -0.38 -0.31 0.00 -2.12 0.00 0.00 56.10 53.36 1myk s TRP 14 Cb -0.16 -1.02 -0.10 0.00 -0.81 0.00 0.00 33.47 31.39 1myk s TRP 14 CO -0.18 0.56 1.76 -2.14 -0.51 0.00 0.00 176.95 176.44 1myk s PRO 15 N -3.12 4.16 0.42 4.98 0.02 -1.26 -4.82 135.00 135.38 1myk s PRO 15 Ca 0.24 2.50 0.29 0.00 0.02 0.00 0.00 61.00 64.05 1myk s PRO 15 Cb -0.06 -3.57 1.44 0.00 0.02 0.00 0.00 34.50 32.33 1myk s PRO 15 CO 0.11 -0.80 1.59 -0.09 -0.33 0.00 0.00 177.00 177.48 1myk h ARG 16 N 8.41 0.02 -0.18 5.54 2.43 -1.99 0.17 114.38 128.79 1myk h ARG 16 Ca -0.45 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.76 1myk h ARG 16 Cb 1.21 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 1myk h ARG 16 CO 0.94 0.02 -0.05 0.93 -1.51 0.00 0.00 179.97 180.30 1myk h GLU 17 N 0.02 -0.00 -0.67 0.20 3.07 -2.00 -0.66 114.58 114.55 1myk h GLU 17 Ca 0.86 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.66 1myk h GLU 17 Cb 2.62 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 30.50 1myk h GLU 17 CO -0.55 -0.00 0.17 0.28 -1.40 0.00 0.00 179.01 177.51 1myk h VAL 18 N -0.00 1.25 0.00 3.13 2.07 -1.02 -1.60 116.25 120.08 1myk h VAL 18 Ca 0.09 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 1myk h VAL 18 Cb 0.13 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1myk h VAL 18 CO -0.19 0.35 -0.36 0.25 0.02 0.00 0.00 177.57 177.65 1myk h LEU 19 N 1.01 0.00 -0.33 2.57 5.85 -1.31 -1.21 115.31 121.89 1myk h LEU 19 Ca 0.21 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.74 1myk h LEU 19 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1myk h LEU 19 CO -0.00 0.36 -0.69 0.44 -0.34 0.00 0.00 178.44 178.21 1myk h ASP 20 N 0.00 0.73 -0.26 1.25 3.32 -0.73 -2.10 116.42 118.64 1myk h ASP 20 Ca -0.00 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 1myk h ASP 20 Cb 0.74 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1myk h ASP 20 CO 0.05 1.22 0.05 0.25 -1.72 0.00 0.00 179.24 179.09 1myk h LEU 21 N 0.45 0.40 -0.68 1.55 5.85 -0.74 -0.76 115.31 121.39 1myk h LEU 21 Ca -0.03 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 1myk h LEU 21 Cb 1.29 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1myk h LEU 21 CO 0.13 0.55 -0.20 -0.37 -0.34 0.00 0.00 178.44 178.22 1myk h VAL 22 N 0.24 1.27 -0.28 1.05 -1.51 -1.23 0.92 116.25 116.71 1myk h VAL 22 Ca 0.08 -1.31 -0.01 0.00 -1.23 0.00 0.00 66.70 64.23 1myk h VAL 22 Cb 0.31 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 1myk h VAL 22 CO 0.00 0.44 0.16 0.03 -1.23 0.00 0.00 177.57 176.97 1myk h ARG 23 N 0.72 0.39 -0.96 5.19 3.08 -1.31 0.96 114.38 122.45 1myk h ARG 23 Ca 0.10 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.20 1myk h ARG 23 Cb 0.72 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.61 1myk h ARG 23 CO 0.05 0.34 0.60 -0.22 -1.07 0.00 0.00 179.97 179.67 1myk h LYS 24 N 0.34 0.98 0.01 0.04 3.11 -0.78 0.77 116.57 121.05 1myk h LYS 24 Ca 0.10 -0.06 -0.22 0.00 -2.81 0.00 0.00 60.65 57.66 1myk h LYS 24 Cb 0.06 -0.22 -0.03 0.00 -1.00 0.00 0.00 32.23 31.04 1myk h LYS 24 CO -0.02 0.65 -1.06 0.28 -2.81 0.00 0.00 179.45 176.49 1myk h VAL 25 N 1.01 1.65 0.14 2.00 2.07 0.09 -2.71 116.25 120.50 1myk h VAL 25 Ca 0.45 -3.36 -0.01 0.00 0.82 0.00 0.00 66.70 64.61 1myk h VAL 25 Cb 0.34 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1myk h VAL 25 CO -0.23 0.95 -0.07 0.00 0.02 0.00 0.00 177.57 178.24 1myk h ALA 26 N 0.96 -0.19 -0.18 1.67 0.00 0.20 -2.55 119.26 119.17 1myk h ALA 26 Ca -0.04 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1myk h ALA 26 Cb 1.80 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.61 1myk h ALA 26 CO 0.13 -0.47 -0.16 1.49 0.00 0.00 0.00 179.25 180.24 1myk h GLU 27 N -0.45 -0.17 -0.92 0.00 4.57 -0.99 0.68 114.58 117.29 1myk h GLU 27 Ca -0.02 0.01 0.23 0.00 -1.18 0.00 0.00 59.36 58.40 1myk h GLU 27 Cb 0.36 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.93 1myk h GLU 27 CO 0.03 -0.12 0.62 1.49 -1.18 0.00 0.00 179.01 179.86 1myk h GLU 28 N -0.18 0.27 -0.23 1.92 4.81 -1.41 0.41 114.58 120.16 1myk h GLU 28 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1myk h GLU 28 Cb 0.35 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1myk h GLU 28 CO -0.29 0.18 0.00 0.09 -0.73 0.00 0.00 179.01 178.26 1myk n ASN 29 N -4.45 3.24 -1.19 1.04 4.13 -0.53 -4.96 115.26 112.53 1myk n ASN 29 Ca 0.20 -1.98 -0.10 0.00 1.68 0.00 0.00 54.58 54.38 1myk n ASN 29 Cb 0.80 -0.14 -0.00 0.00 -1.54 0.00 0.00 39.78 38.90 1myk n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1myk n GLY 30 N 1.41 -0.02 3.74 7.41 0.00 0.14 -5.02 105.19 112.85 1myk n GLY 30 Ca 0.17 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1myk n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1myk s ARG 31 N -4.58 2.18 0.52 1.61 0.52 0.05 -4.99 118.95 114.26 1myk s ARG 31 Ca 0.02 -1.97 -0.06 0.00 -0.52 0.00 0.00 55.73 53.20 1myk s ARG 31 Cb -0.01 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 1myk s ARG 31 CO 0.03 -0.18 0.84 -1.54 0.02 0.00 0.00 175.30 174.48 1myk s SER 32 N -3.90 6.15 0.21 0.23 1.04 -1.26 -4.08 113.70 112.09 1myk s SER 32 Ca 0.36 0.98 -0.08 0.00 0.48 0.00 0.00 55.95 57.69 1myk s SER 32 Cb 0.04 -2.20 0.15 0.00 0.10 0.00 0.00 66.02 64.11 1myk s SER 32 CO 0.20 -0.70 1.77 0.58 0.98 0.00 0.00 173.24 176.07 1myk h VAL 33 N 0.07 1.26 -0.41 5.02 2.07 -1.94 -0.80 116.25 121.52 1myk h VAL 33 Ca -0.46 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.30 1myk h VAL 33 Cb 1.21 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 1myk h VAL 33 CO 0.62 0.34 -0.04 -1.13 0.02 0.00 0.00 177.57 177.38 1myk h ASN 34 N 1.16 -0.25 0.40 0.57 -1.24 -2.00 -1.06 115.58 113.16 1myk h ASN 34 Ca 0.26 0.11 -0.17 0.00 0.71 0.00 0.00 56.30 57.21 1myk h ASN 34 Cb 0.23 0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 1myk h ASN 34 CO -0.02 -0.08 -0.71 -1.28 -1.29 0.00 0.00 177.43 174.04 1myk h SER 35 N 0.06 0.32 -0.39 1.15 0.87 -1.90 -1.96 113.55 111.70 1myk h SER 35 Ca 0.20 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1myk h SER 35 Cb 0.30 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1myk h SER 35 CO -0.37 0.93 0.18 -0.08 -0.53 0.00 0.00 176.83 176.96 1myk h GLU 36 N 0.18 0.57 -0.26 2.24 4.57 -0.53 -0.93 114.58 120.42 1myk h GLU 36 Ca -0.02 -0.09 -0.17 0.00 -1.18 0.00 0.00 59.36 57.90 1myk h GLU 36 Cb 1.27 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1myk h GLU 36 CO 0.11 0.51 -0.49 0.82 -1.18 0.00 0.00 179.01 178.78 1myk h ILE 37 N 0.49 1.29 -0.73 2.32 2.04 -1.24 -2.81 117.51 118.87 1myk h ILE 37 Ca 0.13 -1.69 0.05 0.00 1.00 0.00 0.00 64.86 64.36 1myk h ILE 37 Cb 0.14 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 1myk h ILE 37 CO -0.02 0.54 0.44 0.22 0.00 0.00 0.00 178.15 179.33 1myk h TYR 38 N 0.55 0.81 0.01 1.37 3.20 -1.21 -1.81 116.97 119.88 1myk h TYR 38 Ca 0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1myk h TYR 38 Cb 1.10 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1myk h TYR 38 CO 0.08 0.42 -0.00 1.96 -1.64 0.00 0.00 178.16 178.98 1myk h GLN 39 N 0.82 -0.01 -0.77 1.82 1.08 -1.11 -1.41 115.11 115.54 1myk h GLN 39 Ca 0.31 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.53 1myk h GLN 39 Cb 0.12 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 1myk h GLN 39 CO -0.15 0.16 0.50 0.00 -0.95 0.00 0.00 178.83 178.39 1myk h ARG 40 N -0.17 0.98 -0.22 1.46 3.08 -1.30 -0.11 114.38 118.10 1myk h ARG 40 Ca -0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1myk h ARG 40 Cb 0.17 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1myk h ARG 40 CO 0.00 0.65 0.02 0.28 -1.07 0.00 0.00 179.97 179.85 1myk h VAL 41 N 1.01 1.24 -0.06 2.04 2.07 -1.32 -1.44 116.25 119.78 1myk h VAL 41 Ca 0.29 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 1myk h VAL 41 Cb -0.07 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1myk h VAL 41 CO -0.08 0.25 -0.17 0.24 0.02 0.00 0.00 177.57 177.83 1myk h MET 42 N 0.16 0.09 -0.37 1.57 2.86 -1.02 -1.95 114.93 116.27 1myk h MET 42 Ca 0.06 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.55 1myk h MET 42 Cb 0.35 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1myk h MET 42 CO 0.01 0.27 -0.30 1.49 1.06 0.00 0.00 176.91 179.44 1myk h GLU 43 N 0.09 0.86 -0.35 1.72 4.57 -0.80 -2.08 114.58 118.58 1myk h GLU 43 Ca 0.02 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 1myk h GLU 43 Cb 0.36 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1myk h GLU 43 CO 0.02 1.07 0.18 0.66 -1.18 0.00 0.00 179.01 179.76 1myk h SER 44 N 0.66 0.45 -0.71 1.04 4.64 -0.54 0.16 113.55 119.25 1myk h SER 44 Ca 0.07 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1myk h SER 44 Cb 0.87 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 1myk h SER 44 CO 0.08 0.44 0.34 -0.26 -0.87 0.00 0.00 176.83 176.56 1myk h PHE 45 N 0.44 1.04 0.42 4.77 0.04 -1.39 -1.95 116.94 120.31 1myk h PHE 45 Ca 0.12 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1myk h PHE 45 Cb 0.10 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 1myk h PHE 45 CO -0.02 0.76 -0.35 -0.22 -0.60 0.00 0.00 178.31 177.87 1myk h LYS 46 N 1.03 -0.75 0.00 1.51 1.63 -0.82 -0.56 116.57 118.60 1myk h LYS 46 Ca 0.25 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.10 1myk h LYS 46 Cb 0.11 0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1myk h LYS 46 CO -0.03 -0.50 -0.01 0.87 -3.45 0.00 0.00 179.45 176.33 1myk h LYS 47 N -0.78 0.00 -0.47 1.90 6.56 -0.64 -1.01 116.57 122.13 1myk h LYS 47 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1myk h LYS 47 Cb 0.68 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.34 1myk h LYS 47 CO -0.02 0.01 0.00 -0.85 -2.06 0.00 0.00 179.45 176.53 1myk n GLU 48 N -3.37 3.78 -1.46 3.15 0.28 -0.66 -4.96 120.64 117.39 1myk n GLU 48 Ca -0.03 -2.90 -0.15 0.00 -0.16 0.00 0.00 57.16 53.93 1myk n GLU 48 Cb 0.10 -1.95 -0.06 0.00 1.43 0.00 0.00 31.44 30.96 1myk n GLU 48 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1myk n GLY 49 N 0.34 1.35 0.31 -1.84 0.00 -0.35 -5.01 105.19 99.98 1myk n GLY 49 Ca 0.24 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.40 1myk n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86