#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mpz n THR 2 N 0.00 -0.07 0.05 0.00 -1.04 -1.26 -3.39 114.28 108.58 1mpz n THR 2 Ca 0.00 -2.60 -0.12 0.00 -2.04 0.00 0.00 64.05 59.29 1mpz n THR 2 Cb 0.00 0.85 -0.09 0.00 -1.82 0.00 0.00 70.33 69.27 1mpz n THR 2 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1mpz h THR 3 N 2.29 1.02 0.00 12.58 2.02 -1.96 -3.49 112.91 125.38 1mpz h THR 3 Ca -0.03 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1mpz h THR 3 Cb 1.05 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1mpz h THR 3 CO 0.27 0.23 0.00 0.61 0.37 0.00 0.00 175.52 176.99 1mpz n GLY 4 N 0.25 1.16 0.00 2.16 0.00 -1.26 -4.95 105.19 102.56 1mpz n GLY 4 Ca -0.08 0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1mpz n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mpz n PRO 5 N 0.00 0.75 0.00 1.61 -0.04 -1.26 -4.77 135.00 131.28 1mpz n PRO 5 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mpz n PRO 5 Cb 0.00 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1mpz n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mpz n ARG 8 N 7.13 0.00 0.00 0.00 1.85 -1.25 -3.63 116.66 120.77 1mpz n ARG 8 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.39 1mpz n ARG 8 Cb -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1mpz n ARG 8 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1mpz n GLN 9 N 0.00 0.00 -2.98 2.89 6.02 0.76 -4.60 117.38 119.47 1mpz n GLN 9 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 1mpz n GLN 9 Cb 0.00 -0.36 -0.02 0.00 1.02 0.00 0.00 30.24 30.88 1mpz n GLN 9 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mpz s LYS 11 N -3.32 0.52 0.00 0.00 2.47 -0.24 -4.24 119.74 114.93 1mpz s LYS 11 Ca 0.39 -0.03 0.14 0.00 -1.56 0.00 0.00 55.97 54.91 1mpz s LYS 11 Cb 0.16 0.10 0.14 0.00 -1.46 0.00 0.00 37.83 36.77 1mpz s LYS 11 CO -0.04 -0.79 0.99 1.47 0.16 0.00 0.00 175.35 177.14 1mpz n LEU 12 N 4.43 2.29 -4.21 5.43 -0.00 -1.26 -3.75 117.00 119.92 1mpz n LEU 12 Ca 0.08 -1.13 -0.34 0.00 -0.00 0.00 0.00 56.01 54.62 1mpz n LEU 12 Cb 0.58 -0.04 0.08 0.00 -0.00 0.00 0.00 43.42 44.05 1mpz n LEU 12 CO -0.06 0.45 -0.71 0.29 -0.00 0.00 0.00 177.39 177.36 1mpz n LYS 13 N 0.78 -0.16 -0.67 1.47 4.01 -1.26 -4.69 118.16 117.64 1mpz n LYS 13 Ca 0.09 -0.03 -0.07 0.00 -0.51 0.00 0.00 58.31 57.79 1mpz n LYS 13 Cb 0.36 -1.44 -0.10 0.00 -0.51 0.00 0.00 35.03 33.35 1mpz n LYS 13 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1mpz n PRO 14 N 0.35 1.34 -2.83 1.97 -0.04 -1.26 -4.75 135.00 129.78 1mpz n PRO 14 Ca 0.02 -0.59 -0.03 0.00 -0.04 0.00 0.00 63.50 62.87 1mpz n PRO 14 Cb 0.55 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 1mpz n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mpz n ALA 15 N 2.40 -2.49 -2.00 0.55 0.00 -1.26 -5.04 120.51 112.68 1mpz n ALA 15 Ca 0.25 1.27 0.00 0.00 0.00 0.00 0.00 53.44 54.96 1mpz n ALA 15 Cb 0.62 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1mpz n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mpz n GLY 16 N 2.03 0.35 3.44 0.00 0.00 -1.26 -4.99 105.19 104.77 1mpz n GLY 16 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1mpz n GLY 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mpz n THR 17 N 0.00 0.00 -2.88 2.61 -1.04 -1.16 -4.90 114.28 106.91 1mpz n THR 17 Ca 0.00 -1.14 -0.41 0.00 -2.04 0.00 0.00 64.05 60.46 1mpz n THR 17 Cb 0.00 0.96 -0.04 0.00 -1.82 0.00 0.00 70.33 69.43 1mpz n THR 17 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1mpz s THR 18 N -2.33 4.93 -1.30 12.58 2.01 -1.24 0.19 115.64 130.48 1mpz s THR 18 Ca 0.18 1.71 -0.25 0.00 0.31 0.00 0.00 61.69 63.64 1mpz s THR 18 Cb -0.04 -4.16 0.03 0.00 0.01 0.00 0.00 72.50 68.34 1mpz s THR 18 CO 0.14 0.14 0.52 0.00 -0.69 0.00 0.00 174.62 174.72 1mpz n TRP 20 N -4.91 0.00 -1.00 0.00 -0.00 -1.26 -4.90 117.44 105.37 1mpz n TRP 20 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.33 1mpz n TRP 20 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.91 1mpz n TRP 20 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1mpz n LYS 21 N -2.39 -2.80 0.00 5.87 0.00 -1.26 -4.83 118.16 112.75 1mpz n LYS 21 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 58.31 60.33 1mpz n LYS 21 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 35.03 32.80 1mpz n LYS 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1mpz n THR 22 N 0.03 0.00 0.00 3.15 -2.24 -1.26 -4.83 114.28 109.13 1mpz n THR 22 Ca 0.00 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 1mpz n THR 22 Cb 0.00 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 1mpz n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1mpz n SER 23 N -1.84 0.00 0.00 3.42 7.64 -1.26 -5.01 113.62 116.57 1mpz n SER 23 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1mpz n SER 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1mpz n SER 23 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1mpz n LEU 24 N 0.00 0.00 0.02 -3.43 0.00 -1.26 -5.03 117.00 107.30 1mpz n LEU 24 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 1mpz n LEU 24 Cb 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 43.42 43.49 1mpz n LEU 24 CO 0.00 -0.08 -0.10 0.41 0.00 0.00 0.00 177.39 177.63 1mpz n THR 25 N -1.40 0.90 0.00 1.96 -1.04 -1.26 -5.12 114.28 108.32 1mpz n THR 25 Ca 0.00 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1mpz n THR 25 Cb 0.00 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 1mpz n THR 25 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1mpz n SER 26 N -3.33 0.00 -0.05 8.00 2.88 -1.26 -4.25 113.62 115.60 1mpz n SER 26 Ca -0.02 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.49 1mpz n SER 26 Cb 0.07 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 1mpz n SER 26 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1mpz h HIS 27 N 0.00 0.00 -5.77 0.66 3.86 -1.88 -3.42 115.15 108.60 1mpz h HIS 27 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1mpz h HIS 27 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1mpz h HIS 27 CO 0.00 0.19 -0.04 0.66 0.86 0.00 0.00 177.93 179.60 1mpz n TYR 28 N -4.74 -0.06 0.00 2.45 4.02 -1.11 -3.99 117.16 113.73 1mpz n TYR 28 Ca -0.02 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1mpz n TYR 28 Cb 0.10 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 1mpz n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1mpz n THR 30 N 0.00 0.00 -0.47 0.00 -1.04 -1.26 -2.98 114.28 108.53 1mpz n THR 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1mpz n THR 30 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1mpz n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1mpz n GLY 31 N 0.00 -0.76 0.00 3.41 0.00 -1.26 -4.04 105.19 102.54 1mpz n GLY 31 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1mpz n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mpz n LYS 32 N 1.09 0.00 -3.72 1.61 3.00 -1.24 -4.59 118.16 114.30 1mpz n LYS 32 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 1mpz n LYS 32 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 1mpz n LYS 32 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1mpz s SER 33 N -4.00 5.55 0.11 3.14 0.01 -1.26 -4.47 113.70 112.78 1mpz s SER 33 Ca 0.00 -3.60 0.01 0.00 1.31 0.00 0.00 55.95 53.67 1mpz s SER 33 Cb 0.00 -1.83 -0.00 0.00 0.21 0.00 0.00 66.02 64.40 1mpz s SER 33 CO 0.00 -0.19 0.03 0.00 0.41 0.00 0.00 173.24 173.49 1mpz n ASP 35 N -1.81 -0.33 -4.23 0.00 -0.08 -1.26 -4.71 116.55 104.12 1mpz n ASP 35 Ca -0.02 -0.98 -0.29 0.00 -1.51 0.00 0.00 54.79 51.98 1mpz n ASP 35 Cb 0.17 0.14 -0.16 0.00 2.34 0.00 0.00 41.12 43.60 1mpz n ASP 35 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mpz s PRO 37 N -0.24 4.07 -1.16 0.00 0.04 -1.26 -4.45 135.00 132.02 1mpz s PRO 37 Ca 0.00 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.47 1mpz s PRO 37 Cb -0.12 -3.83 0.25 0.00 0.04 0.00 0.00 34.50 30.84 1mpz s PRO 37 CO 0.02 -0.92 1.57 1.47 0.04 0.00 0.00 177.00 179.18 1mpz n LEU 38 N 7.17 6.34 0.00 -3.56 -0.00 -1.22 -4.69 117.00 121.04 1mpz n LEU 38 Ca 0.15 -4.97 0.00 0.00 -0.00 0.00 0.00 56.01 51.18 1mpz n LEU 38 Cb 0.46 -1.38 0.00 0.00 -0.00 0.00 0.00 43.42 42.50 1mpz n LEU 38 CO 0.60 1.50 0.00 0.00 -0.00 0.00 0.00 177.39 179.49 1mpz n TYR 39 N 2.52 0.00 -2.42 1.47 9.36 -1.26 -2.44 117.16 124.39 1mpz n TYR 39 Ca 0.31 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 61.10 1mpz n TYR 39 Cb 0.35 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.04 1mpz n TYR 39 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1mpz s PRO 40 N 0.00 4.28 0.00 2.98 0.04 -1.26 -4.90 135.00 136.14 1mpz s PRO 40 Ca 0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1mpz s PRO 40 Cb 0.00 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1mpz s PRO 40 CO 0.00 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.84