#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myn s LEU 3 N -3.37 4.08 -1.01 0.00 1.43 -1.26 -0.10 118.68 118.44 1myn s LEU 3 Ca 0.34 0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 53.47 1myn s LEU 3 Cb 0.07 -2.00 -0.23 0.00 0.03 0.00 0.00 46.19 44.06 1myn s LEU 3 CO 0.12 0.32 2.05 -1.20 0.23 0.00 0.00 176.35 177.88 1myn n SER 4 N 2.56 1.14 -0.50 2.29 7.64 -0.77 -4.79 113.62 121.21 1myn n SER 4 Ca -0.18 -2.43 0.37 0.00 1.01 0.00 0.00 58.87 57.64 1myn n SER 4 Cb 0.54 -1.66 0.58 0.00 -1.01 0.00 0.00 64.21 62.66 1myn n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1myn n GLY 5 N 6.03 -0.70 0.09 0.23 0.00 -1.26 0.11 105.19 109.69 1myn n GLY 5 Ca 0.39 0.49 -0.09 0.00 0.00 0.00 0.00 46.02 46.81 1myn n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1myn n ARG 6 N -3.38 0.64 -3.36 1.61 1.74 -1.26 -4.90 116.66 107.75 1myn n ARG 6 Ca 0.31 0.26 -0.38 0.00 -0.77 0.00 0.00 57.85 57.27 1myn n ARG 6 Cb 1.41 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 31.04 1myn n ARG 6 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1myn s TYR 7 N -2.58 3.69 0.08 -1.55 6.14 0.31 -5.07 117.35 118.36 1myn s TYR 7 Ca -0.06 1.06 -0.08 0.00 0.64 0.00 0.00 57.07 58.63 1myn s TYR 7 Cb 0.08 -2.44 -0.01 0.00 0.42 0.00 0.00 41.96 40.01 1myn s TYR 7 CO 0.82 0.48 0.16 0.21 0.64 0.00 0.00 175.55 177.86 1myn s LYS 8 N -0.55 0.79 0.00 4.97 2.20 -1.26 -4.73 119.74 121.15 1myn s LYS 8 Ca 0.26 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1myn s LYS 8 Cb -0.17 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1myn s LYS 8 CO 0.14 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1myn n GLY 9 N 0.06 1.91 3.77 5.54 0.00 -1.26 -4.98 105.19 110.23 1myn n GLY 9 Ca -0.15 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 1myn n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1myn s PRO 10 N -2.02 4.23 -0.29 1.61 0.05 -1.26 -4.79 135.00 132.53 1myn s PRO 10 Ca 0.00 2.07 -0.04 0.00 0.05 0.00 0.00 61.00 63.08 1myn s PRO 10 Cb 0.00 -2.92 0.03 0.00 0.05 0.00 0.00 34.50 31.66 1myn s PRO 10 CO 0.00 -0.24 0.03 0.00 0.05 0.00 0.00 177.00 176.84 1myn n ALA 12 N 4.75 0.13 0.12 0.00 0.00 -1.26 -4.12 120.51 120.13 1myn n ALA 12 Ca -0.14 -0.33 0.16 0.00 0.00 0.00 0.00 53.44 53.13 1myn n ALA 12 Cb 0.46 0.14 0.50 0.00 0.00 0.00 0.00 19.45 20.55 1myn n ALA 12 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1myn h VAL 13 N 0.52 0.09 -0.53 0.00 -1.51 -1.99 0.38 116.25 113.20 1myn h VAL 13 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1myn h VAL 13 Cb 0.19 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 1myn h VAL 13 CO 0.08 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 173.75 1myn n TRP 14 N -3.10 0.71 0.19 5.19 2.14 -1.26 -4.43 117.44 116.88 1myn n TRP 14 Ca 0.08 -0.45 0.02 0.00 2.07 0.00 0.00 57.50 59.22 1myn n TRP 14 Cb 0.90 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 31.37 1myn n TRP 14 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1myn n ASP 15 N 1.22 0.28 0.02 -0.67 8.00 0.13 -4.68 116.55 120.84 1myn n ASP 15 Ca 0.19 -0.64 -0.12 0.00 0.71 0.00 0.00 54.79 54.93 1myn n ASP 15 Cb 0.54 0.93 -0.08 0.00 -0.02 0.00 0.00 41.12 42.49 1myn n ASP 15 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1myn h ASN 16 N 0.07 0.02 -0.80 -2.24 7.08 -1.76 -1.41 115.58 116.53 1myn h ASN 16 Ca 0.00 -0.18 0.16 0.00 -3.08 0.00 0.00 56.30 53.20 1myn h ASN 16 Cb 0.10 -0.00 -0.10 0.00 -2.08 0.00 0.00 38.32 36.23 1myn h ASN 16 CO 0.00 0.19 0.34 -0.08 -2.08 0.00 0.00 177.43 175.80 1myn h GLU 17 N -0.16 0.44 -0.34 4.14 4.81 -1.87 0.72 114.58 122.32 1myn h GLU 17 Ca 0.00 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1myn h GLU 17 Cb 0.18 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.38 1myn h GLU 17 CO -0.00 0.29 -0.21 1.15 -0.73 0.00 0.00 179.01 179.51 1myn h THR 18 N 0.46 0.41 0.05 0.32 2.02 -1.64 0.33 112.91 114.86 1myn h THR 18 Ca 0.45 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.65 1myn h THR 18 Cb 0.72 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1myn h THR 18 CO -0.43 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.28 1myn h ARG 20 N -0.33 0.28 0.00 0.00 3.08 0.32 0.32 114.38 118.06 1myn h ARG 20 Ca 0.04 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1myn h ARG 20 Cb 0.37 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1myn h ARG 20 CO -0.13 0.19 -0.20 0.00 -1.07 0.00 0.00 179.97 178.75 1myn h ARG 21 N 0.29 0.00 0.01 0.04 -0.00 0.67 -2.76 114.38 112.63 1myn h ARG 21 Ca 0.63 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 60.12 1myn h ARG 21 Cb 1.79 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.75 1myn h ARG 21 CO -0.29 0.95 -0.05 0.28 0.00 0.00 0.00 179.97 180.86 1myn h VAL 22 N -1.00 0.87 -0.59 2.04 2.07 0.15 0.39 116.25 120.18 1myn h VAL 22 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1myn h VAL 22 Cb 1.00 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1myn h VAL 22 CO -0.03 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.89 1myn h LYS 24 N 0.82 0.32 -0.43 0.00 3.64 -1.04 0.74 116.57 120.61 1myn h LYS 24 Ca 0.21 -0.08 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1myn h LYS 24 Cb 0.01 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.69 1myn h LYS 24 CO -0.04 0.47 -0.24 0.93 -2.27 0.00 0.00 179.45 178.30 1myn h GLU 25 N 0.12 -0.15 -0.83 1.90 4.39 0.15 0.60 114.58 120.75 1myn h GLU 25 Ca 0.06 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.94 1myn h GLU 25 Cb 0.30 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 1myn h GLU 25 CO 0.00 -0.10 0.55 1.49 -1.16 0.00 0.00 179.01 179.79 1myn h GLU 26 N -0.16 0.42 0.00 2.33 4.22 -0.89 -3.45 114.58 117.06 1myn h GLU 26 Ca 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.62 1myn h GLU 26 Cb 0.48 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1myn h GLU 26 CO -0.52 0.28 0.00 0.41 -2.18 0.00 0.00 179.01 177.00 1myn n GLY 27 N -1.51 1.31 0.00 1.92 0.00 0.21 -5.12 105.19 101.99 1myn n GLY 27 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1myn n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1myn n ARG 28 N -0.12 2.86 -0.09 1.61 3.00 0.20 -5.00 116.66 119.12 1myn n ARG 28 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.85 57.68 1myn n ARG 28 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1myn n ARG 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1myn h SER 29 N 0.00 0.00 -4.02 0.55 4.64 -1.08 -3.42 113.55 110.22 1myn h SER 29 Ca 0.00 -0.34 0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1myn h SER 29 Cb 0.00 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.87 1myn h SER 29 CO 0.00 1.25 0.70 -0.44 -0.87 0.00 0.00 176.83 177.47 1myn s SER 30 N -6.49 -0.23 0.03 4.97 0.01 -1.25 -4.75 113.70 105.99 1myn s SER 30 Ca -0.24 0.16 -0.28 0.00 1.31 0.00 0.00 55.95 56.89 1myn s SER 30 Cb 0.05 0.21 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 1myn s SER 30 CO 0.47 -0.29 0.90 -0.83 0.41 0.00 0.00 173.24 173.90 1myn s GLY 31 N -1.59 2.88 -0.67 3.44 0.00 -1.22 -1.54 107.32 108.62 1myn s GLY 31 Ca 0.05 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.24 1myn s GLY 31 CO -0.04 1.46 0.47 0.30 0.00 0.00 0.00 173.10 175.29 1myn s HIS 32 N 0.53 3.48 1.05 1.90 3.76 0.14 -4.07 115.29 122.09 1myn s HIS 32 Ca 0.47 -3.11 -0.13 0.00 -0.15 0.00 0.00 55.06 52.13 1myn s HIS 32 Cb -0.21 -2.94 0.15 0.00 1.11 0.00 0.00 32.58 30.69 1myn s HIS 32 CO 0.26 -0.70 0.67 0.00 -0.85 0.00 0.00 174.74 174.12 1myn s SER 34 N -2.23 4.64 0.56 0.00 0.15 -0.17 -4.86 113.70 111.79 1myn s SER 34 Ca 0.62 -0.39 0.29 0.00 0.70 0.00 0.00 55.95 57.18 1myn s SER 34 Cb -0.21 -0.96 1.47 0.00 -1.71 0.00 0.00 66.02 64.61 1myn s SER 34 CO 0.64 0.13 1.92 -0.65 1.20 0.00 0.00 173.24 176.48 1myn h PRO 35 N 3.07 0.00 -1.63 5.44 0.11 -1.93 -1.23 132.00 135.84 1myn h PRO 35 Ca -0.48 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.29 1myn h PRO 35 Cb 1.19 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 1myn h PRO 35 CO 0.56 0.00 0.39 0.45 -0.21 0.00 0.00 178.00 179.19 1myn n SER 36 N -4.00 6.43 -3.97 -2.05 2.88 -1.26 -4.83 113.62 106.81 1myn n SER 36 Ca 0.11 -3.07 -0.38 0.00 -1.33 0.00 0.00 58.87 54.21 1myn n SER 36 Cb 0.74 -1.10 0.01 0.00 -0.75 0.00 0.00 64.21 63.11 1myn n SER 36 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1myn n LEU 37 N 0.51 -0.48 -4.30 2.46 7.99 -0.47 -4.89 117.00 117.83 1myn n LEU 37 Ca 0.33 -1.12 -0.16 0.00 -0.01 0.00 0.00 56.01 55.06 1myn n LEU 37 Cb 0.58 -1.43 -0.10 0.00 -0.11 0.00 0.00 43.42 42.36 1myn n LEU 37 CO 0.36 0.66 -0.35 -0.75 -1.51 0.00 0.00 177.39 175.80 1myn s LYS 38 N -6.61 1.24 -0.51 3.23 2.47 -1.19 -1.93 119.74 116.43 1myn s LYS 38 Ca 0.33 -1.60 -0.01 0.00 -1.56 0.00 0.00 55.97 53.13 1myn s LYS 38 Cb -0.19 -0.59 0.13 0.00 -1.46 0.00 0.00 37.83 35.73 1myn s LYS 38 CO 0.87 -0.05 0.30 0.00 0.16 0.00 0.00 175.35 176.62 1myn s TRP 40 N 0.38 3.47 -0.04 0.00 0.52 -1.22 -1.84 118.94 120.20 1myn s TRP 40 Ca 0.14 0.68 0.04 0.00 0.02 0.00 0.00 56.10 56.97 1myn s TRP 40 Cb -0.22 -2.12 -0.03 0.00 -1.15 0.00 0.00 33.47 29.95 1myn s TRP 40 CO -0.04 0.22 -0.14 0.00 0.02 0.00 0.00 176.95 177.01 1myn s GLU 42 N -0.83 3.62 0.00 0.00 2.12 -0.59 -2.55 118.70 120.48 1myn s GLU 42 Ca 0.12 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.91 1myn s GLU 42 Cb -0.11 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.41 1myn s GLU 42 CO 0.01 0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 1myn n GLY 43 N 3.49 0.99 0.00 -1.50 0.00 -1.26 -0.55 105.19 106.35 1myn n GLY 43 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1myn n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32