#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvv s ASP 2 N 0.00 5.01 0.18 1.62 1.01 -1.26 -4.96 116.67 118.27 1dvv s ASP 2 Ca 0.00 1.22 -0.13 0.00 0.71 0.00 0.00 52.55 54.36 1dvv s ASP 2 Cb 0.00 -1.99 0.09 0.00 1.01 0.00 0.00 42.92 42.03 1dvv s ASP 2 CO 0.00 -1.63 1.81 -0.65 0.21 0.00 0.00 175.17 174.91 1dvv h PRO 3 N -0.85 0.82 -0.60 8.23 0.11 -2.00 -2.62 132.00 135.08 1dvv h PRO 3 Ca -0.46 -0.08 0.10 0.00 0.11 0.00 0.00 66.00 65.67 1dvv h PRO 3 Cb 1.26 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 1dvv h PRO 3 CO 0.62 0.61 0.21 0.93 -0.21 0.00 0.00 178.00 180.15 1dvv h GLU 4 N 0.81 0.37 -0.70 1.05 5.08 -1.93 0.24 114.58 119.50 1dvv h GLU 4 Ca 0.21 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.67 1dvv h GLU 4 Cb 0.00 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1dvv h GLU 4 CO -0.04 0.24 0.46 0.28 -1.00 0.00 0.00 179.01 178.96 1dvv h VAL 5 N 0.38 0.87 -0.01 3.13 2.07 -1.85 0.24 116.25 121.09 1dvv h VAL 5 Ca 0.31 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.53 1dvv h VAL 5 Cb 0.40 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1dvv h VAL 5 CO -0.32 0.09 -0.61 -0.07 0.02 0.00 0.00 177.57 176.67 1dvv h LEU 6 N 0.47 0.03 -1.26 2.57 3.38 -0.46 -2.04 115.31 118.01 1dvv h LEU 6 Ca 0.33 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 1dvv h LEU 6 Cb 0.64 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1dvv h LEU 6 CO -0.11 0.63 -0.32 0.00 0.09 0.00 0.00 178.44 178.73 1dvv h ALA 7 N 1.37 1.38 0.11 1.53 0.00 0.65 -1.09 119.26 123.21 1dvv h ALA 7 Ca -0.01 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.30 1dvv h ALA 7 Cb 1.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1dvv h ALA 7 CO 0.08 0.45 -1.49 -0.22 0.00 0.00 0.00 179.25 178.07 1dvv h LYS 8 N 0.07 0.22 0.00 0.00 3.64 -1.28 0.70 116.57 119.93 1dvv h LYS 8 Ca 0.01 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1dvv h LYS 8 Cb 0.61 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1dvv h LYS 8 CO 0.04 1.18 -0.29 -0.91 -2.27 0.00 0.00 179.45 177.21 1dvv h ASN 9 N -0.31 0.00 0.24 4.20 -0.26 -1.36 -2.62 115.58 115.46 1dvv h ASN 9 Ca -0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 1dvv h ASN 9 Cb 1.76 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.02 1dvv h ASN 9 CO 0.04 0.29 -1.00 0.29 -1.06 0.00 0.00 177.43 175.99 1dvv n LYS 10 N -4.06 0.15 -0.69 0.81 4.76 -0.42 -4.95 118.16 113.76 1dvv n LYS 10 Ca -0.02 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1dvv n LYS 10 Cb 0.35 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1dvv n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dvv n GLY 11 N 1.44 0.61 0.30 0.72 0.00 -0.89 -4.92 105.19 102.44 1dvv n GLY 11 Ca 0.03 -0.44 0.18 0.00 0.00 0.00 0.00 46.02 45.79 1dvv n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dvv n MET 13 N -3.30 2.98 -0.09 0.00 2.81 -0.73 -3.17 117.12 115.62 1dvv n MET 13 Ca -0.02 -2.02 -0.10 0.00 -1.81 0.00 0.00 57.70 53.76 1dvv n MET 13 Cb 0.18 -1.73 -0.13 0.00 -0.71 0.00 0.00 33.22 30.83 1dvv n MET 13 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1dvv n ALA 14 N 0.70 1.56 0.12 3.04 0.00 -0.53 -4.61 120.51 120.79 1dvv n ALA 14 Ca 0.18 -1.14 0.04 0.00 0.00 0.00 0.00 53.44 52.53 1dvv n ALA 14 Cb 0.68 -0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 1dvv n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dvv s HIS 16 N -2.36 2.81 -0.07 0.00 4.02 -1.19 -1.38 115.29 117.12 1dvv s HIS 16 Ca -0.01 -0.22 -0.01 0.00 1.02 0.00 0.00 55.06 55.84 1dvv s HIS 16 Cb 0.06 -1.34 0.03 0.00 -1.02 0.00 0.00 32.58 30.31 1dvv s HIS 16 CO 0.36 0.54 -0.00 0.00 1.02 0.00 0.00 174.74 176.65 1dvv s ALA 17 N -2.29 0.68 0.53 -1.40 0.00 -1.26 -4.72 121.76 113.29 1dvv s ALA 17 Ca 0.33 -0.10 0.42 0.00 0.00 0.00 0.00 51.96 52.61 1dvv s ALA 17 Cb -0.06 -0.69 1.44 0.00 0.00 0.00 0.00 23.12 23.82 1dvv s ALA 17 CO 0.22 -0.39 1.40 -0.89 0.00 0.00 0.00 175.76 176.10 1dvv n ILE 18 N 4.97 0.00 0.00 0.00 -0.00 -1.26 -1.27 119.36 121.80 1dvv n ILE 18 Ca -0.10 1.34 0.00 0.00 -0.00 0.00 0.00 62.75 63.99 1dvv n ILE 18 Cb 0.50 -2.28 0.00 0.00 -0.00 0.00 0.00 39.64 37.86 1dvv n ILE 18 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1dvv n ASP 19 N -3.63 0.00 -3.38 4.38 2.03 -1.26 -1.81 116.55 112.88 1dvv n ASP 19 Ca 0.37 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1dvv n ASP 19 Cb 1.79 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 42.19 1dvv n ASP 19 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1dvv n THR 20 N -0.71 0.00 -3.73 5.18 -2.24 -1.23 -4.63 114.28 106.92 1dvv n THR 20 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1dvv n THR 20 Cb 0.00 -0.89 -0.16 0.00 -2.10 0.00 0.00 70.33 67.18 1dvv n THR 20 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1dvv s LYS 21 N -0.54 0.02 0.00 -0.78 2.36 -1.26 -3.43 119.74 116.11 1dvv s LYS 21 Ca 0.00 0.34 0.00 0.00 -2.55 0.00 0.00 55.97 53.76 1dvv s LYS 21 Cb 0.00 -0.26 0.00 0.00 -1.05 0.00 0.00 37.83 36.52 1dvv s LYS 21 CO 0.00 -0.21 0.00 -1.33 1.55 0.00 0.00 175.35 175.36 1dvv n MET 22 N 4.51 0.00 -0.03 4.03 2.81 -1.26 -4.99 117.12 122.19 1dvv n MET 22 Ca -0.21 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.59 1dvv n MET 22 Cb 0.51 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.87 1dvv n MET 22 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1dvv n VAL 23 N 0.00 1.61 -4.44 2.03 0.31 -0.70 -4.94 118.33 112.20 1dvv n VAL 23 Ca 0.00 -0.79 -0.22 0.00 -0.01 0.00 0.00 64.34 63.32 1dvv n VAL 23 Cb 0.00 -1.06 -0.10 0.00 -0.91 0.00 0.00 33.84 31.77 1dvv n VAL 23 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1dvv s GLY 24 N -5.18 1.85 0.44 2.92 0.00 -0.48 -5.03 107.32 101.84 1dvv s GLY 24 Ca -0.07 -1.90 -0.26 0.00 0.00 0.00 0.00 44.72 42.50 1dvv s GLY 24 CO 0.82 -1.88 1.40 -4.14 0.00 0.00 0.00 173.10 169.30 1dvv s PRO 25 N -3.67 3.76 0.45 2.90 0.02 -1.26 -4.59 135.00 132.61 1dvv s PRO 25 Ca 0.29 2.37 -0.20 0.00 0.02 0.00 0.00 61.00 63.48 1dvv s PRO 25 Cb 0.02 -2.69 -0.14 0.00 0.02 0.00 0.00 34.50 31.72 1dvv s PRO 25 CO 0.12 -0.74 0.25 0.00 -0.33 0.00 0.00 177.00 176.30 1dvv n ALA 26 N -0.11 -2.29 0.33 -1.55 0.00 -1.22 -4.60 120.51 111.07 1dvv n ALA 26 Ca 0.05 0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 1dvv n ALA 26 Cb 0.42 -1.60 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 1dvv n ALA 26 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1dvv h TYR 27 N 0.39 -0.81 -0.71 0.00 0.05 -1.25 -1.63 116.97 113.01 1dvv h TYR 27 Ca -0.40 -0.02 0.15 0.00 0.05 0.00 0.00 58.73 58.52 1dvv h TYR 27 Cb 1.43 0.27 -0.12 0.00 1.01 0.00 0.00 36.73 39.31 1dvv h TYR 27 CO 0.30 -0.50 -0.01 -0.22 -1.05 0.00 0.00 178.16 176.68 1dvv h LYS 28 N -1.09 0.09 -0.94 4.88 3.64 -1.45 0.48 116.57 122.18 1dvv h LYS 28 Ca -0.09 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.40 1dvv h LYS 28 Cb 0.67 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.39 1dvv h LYS 28 CO 0.15 0.06 0.57 -0.44 -2.27 0.00 0.00 179.45 177.52 1dvv h ASP 29 N 0.10 0.84 -0.62 4.20 5.19 -1.75 -1.14 116.42 123.24 1dvv h ASP 29 Ca 0.38 0.05 0.07 0.00 -0.62 0.00 0.00 57.03 56.90 1dvv h ASP 29 Cb 0.64 -0.12 -0.06 0.00 0.18 0.00 0.00 39.33 39.97 1dvv h ASP 29 CO -0.63 0.46 0.31 0.58 -3.12 0.00 0.00 179.24 176.84 1dvv h VAL 30 N 0.92 0.91 -0.01 -1.35 2.07 0.96 -0.82 116.25 118.94 1dvv h VAL 30 Ca 0.46 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.70 1dvv h VAL 30 Cb 0.44 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1dvv h VAL 30 CO -0.26 0.10 -0.39 0.00 0.02 0.00 0.00 177.57 177.04 1dvv h ALA 31 N 1.35 1.34 0.00 1.67 0.00 -0.84 -1.74 119.26 121.04 1dvv h ALA 31 Ca 0.29 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1dvv h ALA 31 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1dvv h ALA 31 CO -0.21 0.50 -0.28 0.00 0.00 0.00 0.00 179.25 179.25 1dvv h ALA 32 N 1.60 1.04 0.10 0.00 0.00 -0.39 0.32 119.26 121.93 1dvv h ALA 32 Ca -0.00 -0.26 -0.34 0.00 0.00 0.00 0.00 54.91 54.31 1dvv h ALA 32 Cb 0.70 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1dvv h ALA 32 CO 0.05 0.35 -1.90 -0.22 0.00 0.00 0.00 179.25 177.53 1dvv h LYS 33 N 0.00 0.20 -0.02 0.00 1.63 -0.95 -3.35 116.57 114.09 1dvv h LYS 33 Ca -0.00 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1dvv h LYS 33 Cb 0.77 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1dvv h LYS 33 CO 0.04 1.04 -0.02 0.66 -3.45 0.00 0.00 179.45 177.71 1dvv n TYR 34 N -3.38 0.00 -1.51 1.91 4.02 -0.69 -4.90 117.16 112.62 1dvv n TYR 34 Ca -0.27 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.17 1dvv n TYR 34 Cb 1.05 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.31 1dvv n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dvv n ALA 35 N 0.55 1.12 0.00 -0.72 0.00 0.11 -3.83 120.51 117.74 1dvv n ALA 35 Ca 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1dvv n ALA 35 Cb 0.44 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1dvv n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dvv n GLY 36 N 6.25 0.77 3.35 0.00 0.00 -1.26 -5.04 105.19 109.26 1dvv n GLY 36 Ca 0.40 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 1dvv n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dvv s GLN 37 N -0.62 1.26 -0.17 1.61 -0.21 -1.25 -5.03 119.66 115.25 1dvv s GLN 37 Ca 0.00 -1.35 -0.02 0.00 0.02 0.00 0.00 55.36 54.01 1dvv s GLN 37 Cb 0.00 0.36 0.04 0.00 1.00 0.00 0.00 33.01 34.41 1dvv s GLN 37 CO 0.00 -0.46 2.37 0.00 -2.12 0.00 0.00 175.29 175.08 1dvv n ALA 38 N -0.27 5.07 0.00 6.09 0.00 -1.26 -4.36 120.51 125.79 1dvv n ALA 38 Ca -0.03 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1dvv n ALA 38 Cb 0.64 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1dvv n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dvv n GLY 39 N 1.19 0.93 0.24 0.00 0.00 -1.26 -5.01 105.19 101.28 1dvv n GLY 39 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.32 1dvv n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dvv h ALA 40 N 0.00 1.67 -0.13 4.61 0.00 -1.92 -1.70 119.26 121.80 1dvv h ALA 40 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 1dvv h ALA 40 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1dvv h ALA 40 CO 0.00 0.18 -0.60 1.49 0.00 0.00 0.00 179.25 180.32 1dvv h GLU 41 N 0.00 0.42 0.09 0.00 4.22 -1.95 0.34 114.58 117.70 1dvv h GLU 41 Ca -0.00 -0.29 -0.00 0.00 0.08 0.00 0.00 59.36 59.15 1dvv h GLU 41 Cb 0.26 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1dvv h GLU 41 CO 0.02 0.90 -0.04 0.00 -2.18 0.00 0.00 179.01 177.70 1dvv h ALA 42 N 1.04 -0.12 0.00 2.92 0.00 -1.72 -1.28 119.26 120.11 1dvv h ALA 42 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1dvv h ALA 42 Cb 1.13 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1dvv h ALA 42 CO 0.10 -0.43 -0.23 -0.92 0.00 0.00 0.00 179.25 177.77 1dvv h TYR 43 N -0.39 0.00 0.00 0.00 3.20 -1.45 -0.45 116.97 117.89 1dvv h TYR 43 Ca -0.01 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1dvv h TYR 43 Cb 0.33 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1dvv h TYR 43 CO 0.02 0.23 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.48 1dvv h LEU 44 N 0.00 0.00 0.05 2.82 3.38 -0.52 -0.04 115.31 121.00 1dvv h LEU 44 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 1dvv h LEU 44 Cb 0.56 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.33 1dvv h LEU 44 CO 0.03 0.22 -1.10 0.00 0.09 0.00 0.00 178.44 177.68 1dvv h ALA 45 N 1.78 0.07 0.00 1.53 0.00 0.10 -1.22 119.26 121.51 1dvv h ALA 45 Ca -0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 1dvv h ALA 45 Cb 0.58 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dvv h ALA 45 CO 0.03 0.67 -0.12 1.96 0.00 0.00 0.00 179.25 181.79 1dvv h GLN 46 N 0.32 0.00 0.00 0.00 4.20 -1.10 -2.47 115.11 116.06 1dvv h GLN 46 Ca -0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1dvv h GLN 46 Cb 1.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.55 1dvv h GLN 46 CO 0.21 0.12 -0.89 0.00 -0.67 0.00 0.00 178.83 177.60 1dvv h ARG 47 N 0.00 0.00 0.00 1.46 2.47 -1.00 -3.05 114.38 114.27 1dvv h ARG 47 Ca -0.00 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.47 1dvv h ARG 47 Cb 0.91 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.19 1dvv h ARG 47 CO 0.02 0.00 -1.35 0.82 0.56 0.00 0.00 179.97 180.01 1dvv h ILE 48 N 0.00 1.29 0.00 2.04 2.04 -1.07 0.78 117.51 122.58 1dvv h ILE 48 Ca 0.00 -3.06 -0.13 0.00 1.00 0.00 0.00 64.86 62.66 1dvv h ILE 48 Cb 0.99 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.69 1dvv h ILE 48 CO 0.00 0.74 -0.72 0.50 0.00 0.00 0.00 178.15 178.66 1dvv h LYS 49 N 0.00 0.00 -0.00 2.37 3.64 -1.55 -3.18 116.57 117.86 1dvv h LYS 49 Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1dvv h LYS 49 Cb 1.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 1dvv h LYS 49 CO 0.11 0.55 -0.01 0.09 -2.27 0.00 0.00 179.45 177.91 1dvv n ASN 50 N -3.19 0.69 -0.68 4.20 4.13 -1.15 -3.26 115.26 116.00 1dvv n ASN 50 Ca -0.00 -0.85 0.09 0.00 1.68 0.00 0.00 54.58 55.50 1dvv n ASN 50 Cb 0.79 0.35 -0.02 0.00 -1.54 0.00 0.00 39.78 39.36 1dvv n ASN 50 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dvv n GLY 51 N 0.39 -0.88 0.00 7.41 0.00 0.27 -3.86 105.19 108.51 1dvv n GLY 51 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1dvv n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dvv n SER 52 N -4.40 0.00 -3.72 1.61 7.64 -0.33 -4.80 113.62 109.61 1dvv n SER 52 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1dvv n SER 52 Cb 0.58 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.79 1dvv n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dvv n GLN 53 N -0.65 0.91 -1.29 1.43 0.00 -1.26 -1.19 117.38 115.33 1dvv n GLN 53 Ca 0.00 -1.99 -0.10 0.00 0.00 0.00 0.00 57.00 54.91 1dvv n GLN 53 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 30.24 30.28 1dvv n GLN 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1dvv n GLY 54 N 0.92 1.16 0.01 2.61 0.00 -1.25 -4.90 105.19 103.75 1dvv n GLY 54 Ca 0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 1dvv n GLY 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1dvv n VAL 55 N -2.70 0.23 -0.01 1.61 0.31 -1.26 -4.91 118.33 111.59 1dvv n VAL 55 Ca -0.10 0.45 -0.02 0.00 -0.01 0.00 0.00 64.34 64.66 1dvv n VAL 55 Cb 0.34 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 31.62 1dvv n VAL 55 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 1dvv n TRP 56 N -2.74 0.00 -3.49 3.52 7.02 -1.26 -5.11 117.44 115.38 1dvv n TRP 56 Ca -0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.43 1dvv n TRP 56 Cb 0.07 -0.12 -0.00 0.00 -2.42 0.00 0.00 31.31 28.83 1dvv n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1dvv n GLY 57 N 3.24 2.47 0.00 6.99 0.00 -1.26 -5.00 105.19 111.62 1dvv n GLY 57 Ca -0.05 -1.29 0.02 0.00 0.00 0.00 0.00 46.02 44.69 1dvv n GLY 57 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dvv n PRO 58 N -0.13 0.49 -3.61 1.61 -0.05 -1.26 -3.78 135.00 128.26 1dvv n PRO 58 Ca -0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 63.50 63.05 1dvv n PRO 58 Cb 0.14 -1.10 -0.07 0.00 -0.05 0.00 0.00 33.50 32.41 1dvv n PRO 58 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 1dvv s ILE 59 N -2.00 4.26 0.53 0.52 1.01 -1.26 -4.95 121.20 119.30 1dvv s ILE 59 Ca 0.05 -2.91 -0.23 0.00 0.00 0.00 0.00 60.65 57.56 1dvv s ILE 59 Cb 0.02 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 1dvv s ILE 59 CO 0.04 -0.93 1.39 -2.65 0.00 0.00 0.00 174.94 172.78 1dvv n PRO 60 N 3.52 1.85 -2.67 2.79 -0.01 -1.26 -4.87 135.00 134.35 1dvv n PRO 60 Ca 0.10 0.67 -0.42 0.00 -0.01 0.00 0.00 63.50 63.85 1dvv n PRO 60 Cb 0.40 -2.60 -0.04 0.00 -0.01 0.00 0.00 33.50 31.25 1dvv n PRO 60 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 175.50 176.90 1dvv s MET 61 N -2.80 4.59 0.23 -0.52 1.75 -0.33 -4.74 119.30 117.49 1dvv s MET 61 Ca 0.69 1.49 -0.30 0.00 -1.25 0.00 0.00 55.69 56.32 1dvv s MET 61 Cb -0.42 -3.41 -0.10 0.00 2.84 0.00 0.00 34.83 33.74 1dvv s MET 61 CO 0.51 0.02 1.43 -1.25 -0.65 0.00 0.00 175.02 175.09 1dvv s PRO 62 N 0.60 4.28 0.28 4.11 0.05 -1.26 -1.19 135.00 141.86 1dvv s PRO 62 Ca 0.51 2.27 -0.30 0.00 0.05 0.00 0.00 61.00 63.53 1dvv s PRO 62 Cb -0.23 -3.13 -0.12 0.00 0.05 0.00 0.00 34.50 31.07 1dvv s PRO 62 CO 0.29 -0.42 1.55 -0.35 0.05 0.00 0.00 177.00 178.12 1dvv n PRO 63 N 2.54 2.54 -4.02 0.56 -0.04 -1.25 -4.49 135.00 130.84 1dvv n PRO 63 Ca 0.07 0.90 -0.22 0.00 -0.04 0.00 0.00 63.50 64.22 1dvv n PRO 63 Cb 0.40 -2.65 -0.04 0.00 -0.04 0.00 0.00 33.50 31.17 1dvv n PRO 63 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1dvv s ASN 64 N 0.43 5.35 -0.25 3.54 0.01 -1.20 -4.89 114.94 117.92 1dvv s ASN 64 Ca 0.65 -0.38 -0.02 0.00 -0.71 0.00 0.00 52.86 52.40 1dvv s ASN 64 Cb -0.53 -1.20 0.08 0.00 0.41 0.00 0.00 41.25 40.01 1dvv s ASN 64 CO 0.49 -0.15 2.40 0.00 -1.51 0.00 0.00 177.10 178.33 1dvv n ALA 65 N -1.23 5.40 -2.54 0.60 0.00 -1.26 -4.65 120.51 116.84 1dvv n ALA 65 Ca -0.06 -1.72 -0.41 0.00 0.00 0.00 0.00 53.44 51.25 1dvv n ALA 65 Cb 0.59 -1.61 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 1dvv n ALA 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1dvv s VAL 66 N -1.46 5.14 0.12 0.00 -7.23 -1.26 -5.07 120.40 110.64 1dvv s VAL 66 Ca 0.37 0.05 -0.02 0.00 -1.81 0.00 0.00 61.98 60.57 1dvv s VAL 66 Cb 0.24 -3.86 0.03 0.00 0.56 0.00 0.00 36.38 33.35 1dvv s VAL 66 CO -0.06 -0.14 0.06 -1.54 -0.31 0.00 0.00 175.10 173.11 1dvv n SER 67 N 5.45 -1.56 0.03 4.85 3.41 -1.26 -4.36 113.62 120.18 1dvv n SER 67 Ca -0.08 -0.06 -0.19 0.00 -0.26 0.00 0.00 58.87 58.27 1dvv n SER 67 Cb 0.49 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 1dvv n SER 67 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1dvv h ASP 68 N -1.82 0.66 -0.43 4.04 3.04 -1.97 -1.78 116.42 118.16 1dvv h ASP 68 Ca -0.03 -0.80 -0.06 0.00 -3.24 0.00 0.00 57.03 52.91 1dvv h ASP 68 Cb 0.09 -0.20 -0.02 0.00 -1.04 0.00 0.00 39.33 38.16 1dvv h ASP 68 CO 0.02 1.38 0.06 -2.24 -2.04 0.00 0.00 179.24 176.42 1dvv h ASP 69 N 0.02 0.74 0.08 4.15 3.04 -1.99 0.25 116.42 122.71 1dvv h ASP 69 Ca -0.12 -0.15 -0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1dvv h ASP 69 Cb 1.54 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 39.64 1dvv h ASP 69 CO 0.16 0.77 -0.04 -0.33 -2.04 0.00 0.00 179.24 177.76 1dvv h GLU 70 N 0.75 -0.11 0.00 4.15 5.08 -1.87 -2.61 114.58 119.97 1dvv h GLU 70 Ca 0.16 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1dvv h GLU 70 Cb 0.36 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1dvv h GLU 70 CO 0.01 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.33 1dvv h ALA 71 N 0.28 1.00 -0.05 3.43 0.00 -1.19 -1.31 119.26 121.42 1dvv h ALA 71 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1dvv h ALA 71 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1dvv h ALA 71 CO 0.02 0.00 -0.12 1.96 0.00 0.00 0.00 179.25 181.11 1dvv h GLN 72 N 0.00 0.18 0.00 0.00 1.08 -0.60 -0.51 115.11 115.25 1dvv h GLN 72 Ca 0.00 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.05 1dvv h GLN 72 Cb 0.16 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1dvv h GLN 72 CO 0.00 0.71 -0.17 1.15 -0.95 0.00 0.00 178.83 179.57 1dvv h THR 73 N -0.34 0.54 -0.05 -0.54 2.02 -1.02 -2.05 112.91 111.48 1dvv h THR 73 Ca -0.00 -0.84 -0.19 0.00 0.77 0.00 0.00 66.41 66.15 1dvv h THR 73 Cb 0.71 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1dvv h THR 73 CO 0.03 0.17 -0.77 -0.07 0.37 0.00 0.00 175.52 175.24 1dvv h LEU 74 N 0.00 0.43 -0.19 2.58 3.38 -1.02 -0.37 115.31 120.12 1dvv h LEU 74 Ca -0.00 -0.30 -0.17 0.00 0.09 0.00 0.00 57.88 57.50 1dvv h LEU 74 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1dvv h LEU 74 CO 0.02 1.05 -0.55 0.00 0.09 0.00 0.00 178.44 179.05 1dvv h ALA 75 N 0.94 0.33 0.00 1.53 0.00 -0.52 -1.96 119.26 119.58 1dvv h ALA 75 Ca -0.04 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1dvv h ALA 75 Cb 1.36 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1dvv h ALA 75 CO 0.13 0.54 -0.36 0.87 0.00 0.00 0.00 179.25 180.42 1dvv h LYS 76 N 0.42 0.00 -0.20 0.00 1.57 -1.38 -2.67 116.57 114.31 1dvv h LYS 76 Ca -0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 1dvv h LYS 76 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1dvv h LYS 76 CO 0.12 0.36 -0.47 2.35 -0.57 0.00 0.00 179.45 181.24 1dvv h TRP 77 N 0.00 0.86 -0.10 -1.35 7.01 -0.88 -0.90 115.95 120.59 1dvv h TRP 77 Ca -0.00 -0.32 -0.01 0.00 2.11 0.00 0.00 58.89 60.66 1dvv h TRP 77 Cb 0.82 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.72 1dvv h TRP 77 CO 0.00 1.11 0.01 0.82 -2.79 0.00 0.00 178.44 177.59 1dvv h ILE 78 N 0.37 1.22 0.00 2.65 2.04 -1.22 1.22 117.51 123.79 1dvv h ILE 78 Ca -0.00 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1dvv h ILE 78 Cb 1.08 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1dvv h ILE 78 CO 0.10 0.20 0.00 -0.07 0.00 0.00 0.00 178.15 178.38 1dvv h LEU 79 N -0.08 0.00 -2.98 1.44 4.07 -1.53 -3.00 115.31 113.23 1dvv h LEU 79 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1dvv h LEU 79 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1dvv h LEU 79 CO 0.00 0.00 0.00 -0.24 -1.08 0.00 0.00 178.44 177.12 1dvv n SER 80 N -2.46 2.23 -3.08 -0.43 2.88 -0.34 -4.96 113.62 107.45 1dvv n SER 80 Ca 0.02 -2.05 -0.40 0.00 -1.33 0.00 0.00 58.87 55.12 1dvv n SER 80 Cb 0.30 -0.07 -0.05 0.00 -0.75 0.00 0.00 64.21 63.63 1dvv n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dvv n GLN 81 N -0.31 0.00 0.00 -1.46 1.13 0.42 -4.95 117.38 112.20 1dvv n GLN 81 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1dvv n GLN 81 Cb 0.31 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.63 1dvv n GLN 81 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79