#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 -3.51 4.25 -0.01 0.00 1.43 -1.26 -0.24 118.68 119.34 1myn s LEU 3 Ca 0.30 0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 1myn s LEU 3 Cb 0.04 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 44.10 1myn s LEU 3 CO 0.16 0.39 1.93 -0.44 0.23 0.00 0.00 176.35 178.62 1myn s SER 4 N -1.11 6.39 0.04 2.29 0.01 -0.50 -4.83 113.70 116.00 1myn s SER 4 Ca 0.16 2.51 0.28 0.00 1.31 0.00 0.00 55.95 60.21 1myn s SER 4 Cb -0.12 -2.53 1.15 0.00 0.21 0.00 0.00 66.02 64.73 1myn s SER 4 CO 0.05 -1.12 1.90 0.61 0.41 0.00 0.00 173.24 175.09 1myn n GLY 5 N 4.59 -1.54 0.13 3.44 0.00 -1.26 -3.54 105.19 107.00 1myn n GLY 5 Ca 0.20 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.66 0.68 -1.97 1.61 3.00 -1.26 -4.95 116.66 112.12 1myn n ARG 6 Ca 0.07 0.16 -0.40 0.00 -0.01 0.00 0.00 57.85 57.67 1myn n ARG 6 Cb 0.36 -1.57 -0.00 0.00 0.00 0.00 0.00 32.46 31.24 1myn n ARG 6 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1myn s TYR 7 N -2.53 2.75 -0.01 -1.55 6.14 -1.23 -5.02 117.35 115.91 1myn s TYR 7 Ca -0.28 1.33 0.00 0.00 0.64 0.00 0.00 57.07 58.76 1myn s TYR 7 Cb 0.08 -3.80 0.01 0.00 0.42 0.00 0.00 41.96 38.68 1myn s TYR 7 CO 0.67 -2.39 -0.00 0.15 0.64 0.00 0.00 175.55 174.62 1myn s LYS 8 N -2.14 0.16 0.00 4.97 -0.14 -1.26 -4.92 119.74 116.41 1myn s LYS 8 Ca 0.55 0.02 0.00 0.00 -1.36 0.00 0.00 55.97 55.18 1myn s LYS 8 Cb -0.41 -0.27 0.00 0.00 -1.68 0.00 0.00 37.83 35.47 1myn s LYS 8 CO 0.54 -0.05 0.00 0.41 -0.76 0.00 0.00 175.35 175.49 1myn n GLY 9 N 3.58 2.24 3.79 -3.33 0.00 -1.26 -5.02 105.19 105.19 1myn n GLY 9 Ca -0.20 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.35 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 -1.84 2.38 -0.38 1.61 0.04 -1.26 -4.74 135.00 130.81 1myn s PRO 10 Ca 0.00 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 61.98 1myn s PRO 10 Cb 0.00 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.72 1myn s PRO 10 CO 0.00 -1.49 0.15 0.00 0.04 0.00 0.00 177.00 175.70 1myn n ALA 12 N 4.48 -0.10 -0.17 0.00 0.00 -1.26 -3.80 120.51 119.67 1myn n ALA 12 Ca -0.01 -1.48 0.29 0.00 0.00 0.00 0.00 53.44 52.24 1myn n ALA 12 Cb 0.42 0.19 0.64 0.00 0.00 0.00 0.00 19.45 20.70 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 -0.76 0.21 -0.64 0.00 -1.51 -1.98 0.30 116.25 111.87 1myn h VAL 13 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1myn h VAL 13 Cb 0.94 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1myn h VAL 13 CO 0.27 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 173.94 1myn n TRP 14 N -3.64 1.57 -0.00 5.19 2.14 -1.26 -4.41 117.44 117.02 1myn n TRP 14 Ca 0.20 -0.61 -0.00 0.00 2.07 0.00 0.00 57.50 59.16 1myn n TRP 14 Cb 1.19 -0.28 -0.01 0.00 -0.81 0.00 0.00 31.31 31.40 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 1.07 4.67 -0.28 -0.67 8.00 0.10 -4.74 116.55 124.69 1myn n ASP 15 Ca 0.26 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.81 1myn n ASP 15 Cb 0.93 0.69 0.11 0.00 -0.02 0.00 0.00 41.12 42.83 1myn n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1myn n ASN 16 N -1.90 -0.28 -0.31 -2.24 0.23 -1.22 0.19 115.26 109.73 1myn n ASN 16 Ca -0.02 1.34 -0.00 0.00 -0.53 0.00 0.00 54.58 55.37 1myn n ASN 16 Cb 0.40 -0.40 0.13 0.00 -2.08 0.00 0.00 39.78 37.82 1myn n ASN 16 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1myn h GLU 17 N 0.00 0.98 -0.75 -3.83 4.57 -1.90 -0.14 114.58 113.52 1myn h GLU 17 Ca 0.37 -0.06 0.13 0.00 -1.18 0.00 0.00 59.36 58.62 1myn h GLU 17 Cb 0.57 -0.22 -0.09 0.00 -0.16 0.00 0.00 28.75 28.85 1myn h GLU 17 CO -0.80 0.65 0.33 1.15 -1.18 0.00 0.00 179.01 179.15 1myn h THR 18 N 1.00 0.73 -0.08 0.32 2.02 0.18 -0.33 112.91 116.76 1myn h THR 18 Ca 0.36 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.39 1myn h THR 18 Cb 0.11 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1myn h THR 18 CO -0.15 0.09 -0.08 0.00 0.37 0.00 0.00 175.52 175.76 1myn h ARG 20 N -0.10 0.00 0.00 0.00 3.08 -0.56 0.46 114.38 117.26 1myn h ARG 20 Ca 0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1myn h ARG 20 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1myn h ARG 20 CO -0.14 0.00 -0.17 0.00 -1.07 0.00 0.00 179.97 178.60 1myn h ARG 21 N 0.00 0.00 0.34 0.04 3.08 -0.45 -2.81 114.38 114.58 1myn h ARG 21 Ca 0.38 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 1myn h ARG 21 Cb 1.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.65 1myn h ARG 21 CO -0.00 0.48 -0.17 0.28 -1.07 0.00 0.00 179.97 179.50 1myn h VAL 22 N -1.00 0.67 -1.01 2.04 2.07 -0.11 0.65 116.25 119.56 1myn h VAL 22 Ca -0.03 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1myn h VAL 22 Cb 0.56 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 1myn h VAL 22 CO -0.02 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.22 1myn n LYS 24 N -4.51 0.25 -0.03 0.00 4.81 -0.89 -0.75 118.16 117.04 1myn n LYS 24 Ca 0.16 -0.02 -0.21 0.00 -0.87 0.00 0.00 58.31 57.36 1myn n LYS 24 Cb 0.19 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.61 1myn n LYS 24 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1myn n GLU 25 N -1.36 0.72 0.24 1.64 0.28 0.22 -4.22 120.64 118.16 1myn n GLU 25 Ca 0.11 0.27 0.08 0.00 -0.16 0.00 0.00 57.16 57.45 1myn n GLU 25 Cb 0.29 -1.68 0.59 0.00 1.43 0.00 0.00 31.44 32.07 1myn n GLU 25 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1myn h GLU 26 N -0.04 0.00 0.00 3.44 4.11 -0.67 -3.46 114.58 117.96 1myn h GLU 26 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1myn h GLU 26 Cb 1.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1myn h GLU 26 CO 0.03 0.15 0.00 0.41 0.07 0.00 0.00 179.01 179.67 1myn n GLY 27 N -0.95 -0.55 0.00 1.06 0.00 -1.15 -5.11 105.19 98.47 1myn n GLY 27 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.96 -0.09 1.61 3.00 0.07 -5.01 116.66 117.20 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 -0.14 0.00 0.00 0.00 0.00 32.46 32.32 1myn n ARG 28 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1myn n SER 29 N -2.26 1.41 -3.61 0.55 7.64 -1.20 -4.27 113.62 111.88 1myn n SER 29 Ca 0.00 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1myn n SER 29 Cb 0.00 -0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.09 1myn n SER 29 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1myn s SER 30 N -6.31 -0.01 0.19 6.43 0.01 -1.26 -4.50 113.70 108.24 1myn s SER 30 Ca -0.24 -0.01 0.07 0.00 1.31 0.00 0.00 55.95 57.08 1myn s SER 30 Cb 0.08 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 1myn s SER 30 CO 0.71 -0.04 0.08 -0.83 0.41 0.00 0.00 173.24 173.57 1myn s GLY 31 N -2.46 1.68 -0.65 3.44 0.00 -1.25 -0.77 107.32 107.32 1myn s GLY 31 Ca 0.13 -1.33 0.06 0.00 0.00 0.00 0.00 44.72 43.58 1myn s GLY 31 CO -0.04 -1.35 0.69 1.42 0.00 0.00 0.00 173.10 173.81 1myn n HIS 32 N -0.39 3.48 -1.20 1.90 8.25 0.19 -4.39 115.22 123.06 1myn n HIS 32 Ca -0.09 -4.18 -0.38 0.00 -0.26 0.00 0.00 57.72 52.81 1myn n HIS 32 Cb 0.56 -0.57 0.02 0.00 1.12 0.00 0.00 29.99 31.12 1myn n HIS 32 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1myn s SER 34 N -1.02 5.56 0.58 0.00 0.15 0.59 -4.87 113.70 114.68 1myn s SER 34 Ca 0.54 2.17 0.29 0.00 0.70 0.00 0.00 55.95 59.65 1myn s SER 34 Cb -0.42 -2.58 1.47 0.00 -1.71 0.00 0.00 66.02 62.78 1myn s SER 34 CO 0.69 -1.33 1.89 -0.65 1.20 0.00 0.00 173.24 175.04 1myn h PRO 35 N 0.97 0.00 0.00 5.44 0.10 -1.91 -3.17 132.00 133.42 1myn h PRO 35 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.60 1myn h PRO 35 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.36 1myn h PRO 35 CO 0.56 0.00 0.00 0.43 0.10 0.00 0.00 178.00 179.09 1myn n SER 36 N -3.77 0.00 0.00 -2.05 7.64 -1.26 -5.02 113.62 109.16 1myn n SER 36 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1myn n SER 36 Cb 0.71 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1myn n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1myn n LEU 37 N -0.87 0.00 -4.21 -3.43 -0.00 -1.20 -4.87 117.00 102.42 1myn n LEU 37 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1myn n LEU 37 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1myn n LEU 37 CO 0.00 0.00 -0.37 -0.75 -0.00 0.00 0.00 177.39 176.27 1myn s LYS 38 N 0.00 0.96 -0.42 1.47 2.47 -1.25 -0.50 119.74 122.48 1myn s LYS 38 Ca 0.00 -1.42 -0.08 0.00 -1.56 0.00 0.00 55.97 52.91 1myn s LYS 38 Cb 0.00 -0.30 0.09 0.00 -1.46 0.00 0.00 37.83 36.16 1myn s LYS 38 CO 0.00 -0.04 0.25 0.00 0.16 0.00 0.00 175.35 175.72 1myn s TRP 40 N 1.35 3.40 0.09 0.00 0.52 -1.26 -1.41 118.94 121.64 1myn s TRP 40 Ca 0.04 0.10 0.07 0.00 0.02 0.00 0.00 56.10 56.33 1myn s TRP 40 Cb -0.23 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 1myn s TRP 40 CO 0.00 0.52 -0.12 0.00 0.02 0.00 0.00 176.95 177.37 1myn s GLU 42 N -2.02 3.68 0.00 0.00 -6.30 0.05 -2.89 118.70 111.22 1myn s GLU 42 Ca 0.19 -0.51 0.00 0.00 -2.50 0.00 0.00 54.97 52.16 1myn s GLU 42 Cb -0.11 -2.96 0.00 0.00 0.00 0.00 0.00 34.13 31.06 1myn s GLU 42 CO 0.11 0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.01 1myn n GLY 43 N 3.66 1.54 0.00 -1.50 0.00 -1.26 -3.20 105.19 104.43 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