#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 5.14 0.53 -1.84 1.01 -1.26 -4.83 116.67 115.42 1dvv s ASP 2 Ca 0.00 1.32 0.19 0.00 0.71 0.00 0.00 52.55 54.77 1dvv s ASP 2 Cb 0.00 -2.14 1.38 0.00 1.01 0.00 0.00 42.92 43.17 1dvv s ASP 2 CO 0.00 -1.56 2.16 1.55 0.21 0.00 0.00 175.17 177.53 1dvv h PRO 3 N -0.80 0.00 -0.06 8.23 0.13 -1.98 0.63 132.00 138.15 1dvv h PRO 3 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 1dvv h PRO 3 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1dvv h PRO 3 CO 0.61 0.00 -0.45 1.05 -0.23 0.00 0.00 178.00 178.98 1dvv h GLU 4 N 0.00 0.13 0.43 0.86 -0.00 -1.97 0.17 114.58 114.21 1dvv h GLU 4 Ca 0.02 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.36 59.29 1dvv h GLU 4 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.83 1dvv h GLU 4 CO -0.00 0.56 -0.21 0.28 -0.00 0.00 0.00 179.01 179.64 1dvv h VAL 5 N 0.11 0.12 0.00 -1.06 2.07 -1.24 -1.95 116.25 114.29 1dvv h VAL 5 Ca 0.01 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1dvv h VAL 5 Cb 0.84 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1dvv h VAL 5 CO 0.06 0.03 -0.02 0.17 0.02 0.00 0.00 177.57 177.84 1dvv h LEU 6 N -1.12 0.00 -0.41 2.57 -0.00 -1.43 -0.47 115.31 114.44 1dvv h LEU 6 Ca -0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.66 1dvv h LEU 6 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 1dvv h LEU 6 CO 0.10 0.02 -0.75 0.00 -0.00 0.00 0.00 178.44 177.81 1dvv h ALA 7 N 1.98 0.70 0.00 0.17 0.00 -0.55 -2.72 119.26 118.84 1dvv h ALA 7 Ca -0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 54.91 54.02 1dvv h ALA 7 Cb 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1dvv h ALA 7 CO 0.00 0.93 -1.30 -0.22 0.00 0.00 0.00 179.25 178.67 1dvv h LYS 8 N 0.00 0.00 -0.20 0.00 3.11 -0.32 0.26 116.57 119.42 1dvv h LYS 8 Ca -0.01 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.64 1dvv h LYS 8 Cb 1.37 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.61 1dvv h LYS 8 CO 0.10 0.52 -0.66 -0.91 -2.81 0.00 0.00 179.45 175.69 1dvv h ASN 9 N 0.00 0.85 0.39 4.20 -0.26 -1.26 -2.94 115.58 116.56 1dvv h ASN 9 Ca -0.15 -0.50 0.00 0.00 -0.56 0.00 0.00 56.30 55.09 1dvv h ASN 9 Cb 1.73 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.74 1dvv h ASN 9 CO 0.08 1.28 -0.07 0.29 -1.06 0.00 0.00 177.43 177.95 1dvv n LYS 10 N -3.95 0.64 -0.82 0.81 4.01 -1.03 -4.88 118.16 112.93 1dvv n LYS 10 Ca -0.05 -0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.59 1dvv n LYS 10 Cb 0.68 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.70 1dvv n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1dvv n GLY 11 N 1.26 0.51 0.32 0.72 0.00 -1.11 -4.94 105.19 101.94 1dvv n GLY 11 Ca 0.15 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.26 1.14 0.03 0.00 2.81 -1.03 -2.80 117.12 113.01 1dvv n MET 13 Ca 0.05 -0.22 -0.18 0.00 -1.81 0.00 0.00 57.70 55.55 1dvv n MET 13 Cb 0.23 -1.18 -0.14 0.00 -0.71 0.00 0.00 33.22 31.41 1dvv n MET 13 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1dvv h ALA 14 N 3.39 0.40 0.00 3.04 0.00 -1.61 -3.39 119.26 121.10 1dvv h ALA 14 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1dvv h ALA 14 Cb 0.09 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dvv h ALA 14 CO 0.00 1.26 -1.47 0.00 0.00 0.00 0.00 179.25 179.05 1dvv s HIS 16 N -2.91 2.64 -0.13 0.00 4.02 -1.12 -1.63 115.29 116.15 1dvv s HIS 16 Ca -0.03 -0.42 -0.05 0.00 1.02 0.00 0.00 55.06 55.59 1dvv s HIS 16 Cb 0.10 -2.38 0.07 0.00 -1.02 0.00 0.00 32.58 29.35 1dvv s HIS 16 CO 0.63 -0.54 0.25 0.00 1.02 0.00 0.00 174.74 176.10 1dvv s ALA 17 N -2.41 -0.52 0.44 -1.40 0.00 -1.26 -4.81 121.76 111.80 1dvv s ALA 17 Ca 0.56 0.85 0.37 0.00 0.00 0.00 0.00 51.96 53.74 1dvv s ALA 17 Cb -0.09 -1.04 1.44 0.00 0.00 0.00 0.00 23.12 23.43 1dvv s ALA 17 CO 0.34 -0.69 1.40 -0.89 0.00 0.00 0.00 175.76 175.92 1dvv n ILE 18 N 5.35 -0.12 -1.83 0.00 -0.00 -1.26 -1.08 119.36 120.42 1dvv n ILE 18 Ca -0.06 1.48 0.00 0.00 -0.00 0.00 0.00 62.75 64.17 1dvv n ILE 18 Cb 0.50 -2.45 0.00 0.00 -0.00 0.00 0.00 39.64 37.69 1dvv n ILE 18 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1dvv n ASP 19 N -4.13 0.00 -3.83 4.38 5.68 -1.26 -1.47 116.55 115.92 1dvv n ASP 19 Ca 0.38 -1.00 -0.14 0.00 -0.50 0.00 0.00 54.79 53.53 1dvv n ASP 19 Cb 1.60 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 41.61 1dvv n ASP 19 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1dvv n THR 20 N 0.00 0.00 -4.01 2.12 -2.24 -1.16 -4.90 114.28 104.09 1dvv n THR 20 Ca 0.00 -1.28 -0.31 0.00 -2.27 0.00 0.00 64.05 60.19 1dvv n THR 20 Cb 0.46 -0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 68.03 1dvv n THR 20 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1dvv s LYS 21 N -3.57 1.73 0.00 -0.78 -0.14 -1.26 -3.23 119.74 112.49 1dvv s LYS 21 Ca 0.31 -1.55 0.00 0.00 -1.36 0.00 0.00 55.97 53.37 1dvv s LYS 21 Cb -0.02 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.16 1dvv s LYS 21 CO 0.20 -0.77 0.00 -1.33 -0.76 0.00 0.00 175.35 172.69 1dvv n MET 22 N 4.39 0.00 0.02 1.68 2.81 -1.26 -5.00 117.12 119.76 1dvv n MET 22 Ca -0.05 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.63 1dvv n MET 22 Cb 0.42 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.79 1dvv n MET 22 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1dvv h VAL 23 N 0.00 0.71 -1.67 2.03 2.07 -1.70 -3.48 116.25 114.20 1dvv h VAL 23 Ca 0.00 -2.40 -0.58 0.00 0.82 0.00 0.00 66.70 64.55 1dvv h VAL 23 Cb 0.00 2.57 -0.09 0.00 -1.52 0.00 0.00 31.29 32.25 1dvv h VAL 23 CO 0.00 0.88 -0.53 -0.83 0.02 0.00 0.00 177.57 177.11 1dvv s GLY 24 N -5.45 2.29 0.25 2.17 0.00 -0.65 -5.02 107.32 100.90 1dvv s GLY 24 Ca -0.20 -2.09 -0.30 0.00 0.00 0.00 0.00 44.72 42.13 1dvv s GLY 24 CO 0.79 -1.92 1.40 -4.14 0.00 0.00 0.00 173.10 169.23 1dvv s PRO 25 N -3.85 4.30 0.52 2.90 0.02 -1.26 -4.61 135.00 133.02 1dvv s PRO 25 Ca 0.39 2.25 -0.18 0.00 0.02 0.00 0.00 61.00 63.48 1dvv s PRO 25 Cb 0.04 -3.12 -0.13 0.00 0.02 0.00 0.00 34.50 31.30 1dvv s PRO 25 CO 0.21 -0.37 0.08 0.00 -0.33 0.00 0.00 177.00 176.59 1dvv n ALA 26 N 2.27 -2.47 0.44 -1.55 0.00 -1.20 -4.60 120.51 113.40 1dvv n ALA 26 Ca 0.06 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1dvv n ALA 26 Cb 0.41 -1.54 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 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 0.07 -1.05 -0.71 0.00 0.05 -1.12 -1.00 116.97 113.22 1dvv h TYR 27 Ca -0.42 -0.02 0.16 0.00 0.05 0.00 0.00 58.73 58.49 1dvv h TYR 27 Cb 1.43 0.35 -0.12 0.00 1.01 0.00 0.00 36.73 39.40 1dvv h TYR 27 CO 0.26 -0.65 0.02 -0.22 -1.05 0.00 0.00 178.16 176.51 1dvv h LYS 28 N -1.30 0.12 -0.95 4.88 3.11 -1.34 0.44 116.57 121.52 1dvv h LYS 28 Ca -0.12 -0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.78 1dvv h LYS 28 Cb 0.87 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 32.01 1dvv h LYS 28 CO 0.19 0.08 0.62 -0.44 -2.81 0.00 0.00 179.45 177.09 1dvv h ASP 29 N 0.12 0.97 -0.74 4.20 3.32 -1.75 -0.51 116.42 122.03 1dvv h ASP 29 Ca 0.39 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.52 1dvv h ASP 29 Cb 0.66 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1dvv h ASP 29 CO -0.61 0.62 0.49 0.58 -1.72 0.00 0.00 179.24 178.60 1dvv h VAL 30 N 1.10 0.99 0.00 -1.35 2.07 0.13 -1.06 116.25 118.13 1dvv h VAL 30 Ca 0.41 -0.25 -0.20 0.00 0.82 0.00 0.00 66.70 67.48 1dvv h VAL 30 Cb 0.19 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1dvv h VAL 30 CO -0.16 0.13 -0.95 0.00 0.02 0.00 0.00 177.57 176.62 1dvv h ALA 31 N 1.61 0.40 0.00 1.67 0.00 -0.72 -2.66 119.26 119.55 1dvv h ALA 31 Ca 0.33 -0.86 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1dvv h ALA 31 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1dvv h ALA 31 CO -0.11 1.18 -0.24 0.00 0.00 0.00 0.00 179.25 180.08 1dvv h ALA 32 N 1.05 1.03 0.09 0.00 0.00 -0.09 0.12 119.26 121.45 1dvv h ALA 32 Ca -0.01 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 54.35 1dvv h ALA 32 Cb 1.71 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1dvv h ALA 32 CO 0.12 0.30 -1.80 1.17 0.00 0.00 0.00 179.25 179.04 1dvv n LYS 33 N -3.41 0.71 -0.18 0.00 3.00 -0.70 -4.03 118.16 113.54 1dvv n LYS 33 Ca 0.00 0.35 0.07 0.00 -0.00 0.00 0.00 58.31 58.73 1dvv n LYS 33 Cb 0.43 -1.72 0.20 0.00 0.00 0.00 0.00 35.03 33.94 1dvv n LYS 33 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1dvv n TYR 34 N -3.76 0.48 -1.69 5.64 4.01 -1.01 -4.94 117.16 115.89 1dvv n TYR 34 Ca -0.32 -0.24 -0.42 0.00 -0.16 0.00 0.00 57.90 56.76 1dvv n TYR 34 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.97 1dvv n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dvv n ALA 35 N 0.61 1.24 0.00 -0.72 0.00 0.40 -1.29 120.51 120.75 1dvv n ALA 35 Ca 0.14 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1dvv n ALA 35 Cb 0.33 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 0.80 1.96 3.61 0.00 0.00 -1.26 -5.02 105.19 105.28 1dvv n GLY 36 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1dvv n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dvv n GLN 37 N -2.00 1.10 -1.40 1.61 1.13 -0.41 -4.85 117.38 112.55 1dvv n GLN 37 Ca 0.00 0.41 -0.25 0.00 -1.94 0.00 0.00 57.00 55.22 1dvv n GLN 37 Cb 0.00 -2.11 -0.06 0.00 0.11 0.00 0.00 30.24 28.18 1dvv n GLN 37 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dvv n ALA 38 N -1.22 6.34 0.00 -1.58 0.00 -1.26 -4.44 120.51 118.36 1dvv n ALA 38 Ca 0.12 -2.85 0.00 0.00 0.00 0.00 0.00 53.44 50.71 1dvv n ALA 38 Cb 0.44 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 0.95 0.76 0.26 0.00 0.00 -1.26 -5.02 105.19 100.88 1dvv n GLY 39 Ca 0.47 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.38 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 1.00 0.00 4.61 0.00 -1.91 -2.91 119.26 120.04 1dvv h ALA 40 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1dvv h ALA 40 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1dvv h ALA 40 CO 0.00 0.01 -0.11 1.05 0.00 0.00 0.00 179.25 180.20 1dvv h GLU 41 N 0.00 0.00 0.34 0.00 4.11 -1.95 -0.46 114.58 116.63 1dvv h GLU 41 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1dvv h GLU 41 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1dvv h GLU 41 CO 0.00 0.11 -0.17 0.00 0.07 0.00 0.00 179.01 179.03 1dvv h ALA 42 N 1.89 -0.46 0.00 1.06 0.00 -1.90 -2.12 119.26 117.71 1dvv h ALA 42 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1dvv h ALA 42 Cb 0.43 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1dvv h ALA 42 CO 0.01 -0.44 -0.15 -0.92 0.00 0.00 0.00 179.25 177.76 1dvv h TYR 43 N -1.11 0.00 -0.28 0.00 3.20 -1.68 -0.84 116.97 116.26 1dvv h TYR 43 Ca -0.05 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 1dvv h TYR 43 Cb 0.38 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1dvv h TYR 43 CO 0.01 0.15 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.41 1dvv h LEU 44 N 0.00 0.51 -0.74 2.82 3.38 -1.09 -1.54 115.31 118.65 1dvv h LEU 44 Ca -0.00 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 1dvv h LEU 44 Cb 0.38 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1dvv h LEU 44 CO 0.02 0.73 -0.58 0.00 0.09 0.00 0.00 178.44 178.70 1dvv h ALA 45 N 1.32 0.93 -0.07 1.53 0.00 -0.45 -0.19 119.26 122.33 1dvv h ALA 45 Ca 0.07 -0.53 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 1dvv h ALA 45 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1dvv h ALA 45 CO 0.04 0.71 -0.82 1.96 0.00 0.00 0.00 179.25 181.14 1dvv h GLN 46 N 0.12 0.55 0.00 0.00 1.08 -0.99 -2.03 115.11 113.85 1dvv h GLN 46 Ca -0.00 -0.49 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1dvv h GLN 46 Cb 1.05 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1dvv h GLN 46 CO 0.08 1.12 -0.34 0.54 -0.95 0.00 0.00 178.83 179.29 1dvv n ARG 47 N -3.85 0.28 0.07 1.46 5.12 -0.63 -3.17 116.66 115.95 1dvv n ARG 47 Ca -0.06 0.15 0.01 0.00 -1.93 0.00 0.00 57.85 56.01 1dvv n ARG 47 Cb 0.77 -1.74 -0.04 0.00 -1.16 0.00 0.00 32.46 30.28 1dvv n ARG 47 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1dvv h ILE 48 N 0.00 0.66 0.00 0.55 2.04 -0.95 0.56 117.51 120.37 1dvv h ILE 48 Ca 0.00 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 63.76 1dvv h ILE 48 Cb 0.75 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1dvv h ILE 48 CO 0.00 0.38 -0.42 0.11 0.00 0.00 0.00 178.15 178.22 1dvv h LYS 49 N 0.00 0.00 0.00 2.37 1.57 -1.38 -3.29 116.57 115.84 1dvv h LYS 49 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1dvv h LYS 49 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1dvv h LYS 49 CO 0.06 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.03 1dvv n ASN 50 N -2.83 0.36 -1.03 0.86 4.13 -1.19 -3.48 115.26 112.08 1dvv n ASN 50 Ca 0.03 -0.72 0.12 0.00 1.68 0.00 0.00 54.58 55.68 1dvv n ASN 50 Cb 0.53 0.24 -0.04 0.00 -1.54 0.00 0.00 39.78 38.97 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 0.24 -1.48 0.00 7.41 0.00 0.20 -3.41 105.19 108.15 1dvv n GLY 51 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.27 0.00 -5.03 1.61 7.64 0.41 -4.73 113.62 109.25 1dvv n SER 52 Ca -0.01 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.67 1dvv n SER 52 Cb 0.61 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.87 1dvv n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dvv s GLN 53 N -2.00 2.35 -0.70 1.43 0.00 -1.26 -1.21 119.66 118.26 1dvv s GLN 53 Ca 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 55.36 53.74 1dvv s GLN 53 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 33.01 30.36 1dvv s GLN 53 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.29 174.89 1dvv n GLY 54 N -2.20 0.75 0.00 2.60 0.00 -1.25 -4.93 105.19 100.16 1dvv n GLY 54 Ca 0.15 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.04 0.00 -0.01 1.61 0.31 -1.26 -4.90 118.33 111.03 1dvv n VAL 55 Ca -0.07 0.44 -0.02 0.00 -0.01 0.00 0.00 64.34 64.68 1dvv n VAL 55 Cb 0.29 -1.41 -0.02 0.00 -0.91 0.00 0.00 33.84 31.80 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 -2.24 0.00 -3.56 3.52 7.02 -1.26 -5.10 117.44 115.82 1dvv n TRP 56 Ca 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.45 1dvv n TRP 56 Cb 0.00 -0.11 -0.00 0.00 -2.42 0.00 0.00 31.31 28.77 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 3.10 2.62 0.18 6.99 0.00 -1.26 -5.01 105.19 111.81 1dvv n GLY 57 Ca -0.04 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 0.56 -3.67 1.61 -0.05 -1.26 -3.76 135.00 128.30 1dvv n PRO 58 Ca -0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 63.50 63.07 1dvv n PRO 58 Cb 0.14 -1.10 -0.09 0.00 -0.05 0.00 0.00 33.50 32.40 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 -1.65 3.89 0.21 0.52 1.01 -1.26 -4.94 121.20 118.98 1dvv s ILE 59 Ca 0.00 -2.60 -0.31 0.00 0.00 0.00 0.00 60.65 57.73 1dvv s ILE 59 Cb 0.00 -3.54 -0.11 0.00 0.01 0.00 0.00 42.46 38.82 1dvv s ILE 59 CO 0.00 -0.85 1.64 -2.84 0.00 0.00 0.00 174.94 172.89 1dvv s PRO 60 N 0.35 4.16 0.11 2.79 0.02 -1.26 -4.81 135.00 136.36 1dvv s PRO 60 Ca 0.14 2.51 -0.30 0.00 0.02 0.00 0.00 61.00 63.37 1dvv s PRO 60 Cb -0.20 -3.09 -0.07 0.00 0.02 0.00 0.00 34.50 31.16 1dvv s PRO 60 CO -0.04 -0.67 1.19 1.41 -0.33 0.00 0.00 177.00 178.56 1dvv s MET 61 N 0.84 4.47 0.33 5.54 1.75 -0.35 -4.68 119.30 127.19 1dvv s MET 61 Ca 0.71 1.81 -0.29 0.00 -1.25 0.00 0.00 55.69 56.67 1dvv s MET 61 Cb -0.47 -3.30 -0.11 0.00 2.84 0.00 0.00 34.83 33.79 1dvv s MET 61 CO 0.35 -0.17 1.40 -1.25 -0.65 0.00 0.00 175.02 174.69 1dvv s PRO 62 N 0.50 4.25 0.46 4.11 0.05 -1.26 -0.44 135.00 142.67 1dvv s PRO 62 Ca 0.56 2.36 -0.25 0.00 0.05 0.00 0.00 61.00 63.72 1dvv s PRO 62 Cb -0.31 -3.04 -0.08 0.00 0.05 0.00 0.00 34.50 31.12 1dvv s PRO 62 CO 0.32 -0.35 1.43 -1.25 0.05 0.00 0.00 177.00 177.20 1dvv s PRO 63 N -1.61 3.64 0.28 0.56 0.04 -1.22 -4.37 135.00 132.32 1dvv s PRO 63 Ca 0.52 2.43 0.09 0.00 0.04 0.00 0.00 61.00 64.09 1dvv s PRO 63 Cb -0.43 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 1dvv s PRO 63 CO 0.54 -0.86 0.01 -0.80 0.04 0.00 0.00 177.00 175.94 1dvv s ASN 64 N -0.51 4.51 -0.26 6.66 0.01 -1.23 -4.87 114.94 119.27 1dvv s ASN 64 Ca 0.62 -0.70 0.01 0.00 -0.71 0.00 0.00 52.86 52.08 1dvv s ASN 64 Cb -0.44 -0.79 0.28 0.00 0.41 0.00 0.00 41.25 40.70 1dvv s ASN 64 CO 0.56 -0.06 1.68 0.00 -1.51 0.00 0.00 177.10 177.77 1dvv n ALA 65 N -0.93 4.44 -2.62 0.60 0.00 -1.26 -4.61 120.51 116.13 1dvv n ALA 65 Ca -0.06 -1.49 -0.43 0.00 0.00 0.00 0.00 53.44 51.46 1dvv n ALA 65 Cb 0.60 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.86 4.46 0.79 0.00 -7.23 -1.26 -5.02 120.40 110.28 1dvv s VAL 66 Ca 0.29 1.51 -0.10 0.00 -1.81 0.00 0.00 61.98 61.87 1dvv s VAL 66 Cb 0.23 -4.44 0.16 0.00 0.56 0.00 0.00 36.38 32.89 1dvv s VAL 66 CO 0.03 -0.61 0.36 -1.20 -0.31 0.00 0.00 175.10 173.37 1dvv n SER 67 N 7.06 -2.70 0.27 4.85 7.64 -1.26 -4.36 113.62 125.12 1dvv n SER 67 Ca 0.11 -0.36 -0.13 0.00 1.01 0.00 0.00 58.87 59.50 1dvv n SER 67 Cb 0.48 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 63.02 1dvv n SER 67 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1dvv h ASP 68 N -2.58 -0.63 -0.81 6.43 3.58 -1.96 -1.64 116.42 118.82 1dvv h ASP 68 Ca -0.16 -0.02 0.19 0.00 0.42 0.00 0.00 57.03 57.46 1dvv h ASP 68 Cb 0.55 0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.71 1dvv h ASP 68 CO 0.10 -0.23 0.55 0.44 -2.88 0.00 0.00 179.24 177.22 1dvv h ASP 69 N -1.14 0.29 0.01 2.28 5.19 -1.99 -0.62 116.42 120.43 1dvv h ASP 69 Ca -0.08 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1dvv h ASP 69 Cb 0.60 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1dvv h ASP 69 CO 0.12 0.13 -0.00 -0.33 -3.12 0.00 0.00 179.24 176.04 1dvv h GLU 70 N 0.30 -0.01 0.00 3.56 4.39 -1.84 -2.32 114.58 118.66 1dvv h GLU 70 Ca 0.41 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 1dvv h GLU 70 Cb 1.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1dvv h GLU 70 CO -0.11 0.36 -0.04 0.00 -1.16 0.00 0.00 179.01 178.06 1dvv h ALA 71 N 0.60 1.11 -0.11 3.43 0.00 -0.25 -0.21 119.26 123.82 1dvv h ALA 71 Ca -0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1dvv h ALA 71 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1dvv h ALA 71 CO 0.00 0.04 -0.30 0.37 0.00 0.00 0.00 179.25 179.37 1dvv h GLN 72 N 0.00 0.40 0.00 0.00 -0.00 -0.83 -1.64 115.11 113.04 1dvv h GLN 72 Ca -0.00 -0.28 -0.03 0.00 -0.00 0.00 0.00 58.65 58.34 1dvv h GLN 72 Cb 0.24 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.76 1dvv h GLN 72 CO 0.00 0.90 -0.13 1.15 0.00 0.00 0.00 178.83 180.75 1dvv h THR 73 N -0.03 0.31 -0.13 2.39 2.02 -0.86 -2.51 112.91 114.10 1dvv h THR 73 Ca -0.01 -0.96 -0.19 0.00 0.77 0.00 0.00 66.41 66.03 1dvv h THR 73 Cb 0.91 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1dvv h THR 73 CO 0.06 0.13 -0.71 -0.07 0.37 0.00 0.00 175.52 175.31 1dvv h LEU 74 N 0.00 0.66 0.03 2.58 3.38 -0.84 -0.49 115.31 120.64 1dvv h LEU 74 Ca -0.00 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1dvv h LEU 74 Cb 0.73 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1dvv h LEU 74 CO 0.02 1.17 -0.02 0.00 0.09 0.00 0.00 178.44 179.70 1dvv h ALA 75 N 0.82 -0.05 0.00 1.53 0.00 -1.05 -1.67 119.26 118.84 1dvv h ALA 75 Ca -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1dvv h ALA 75 Cb 1.29 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1dvv h ALA 75 CO 0.13 -0.26 -0.03 0.87 0.00 0.00 0.00 179.25 179.96 1dvv h LYS 76 N -0.58 0.00 -0.08 0.00 1.57 -1.50 -1.75 116.57 114.24 1dvv h LYS 76 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1dvv h LYS 76 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.85 1dvv h LYS 76 CO 0.01 0.03 -0.79 2.35 -0.57 0.00 0.00 179.45 180.47 1dvv h TRP 77 N 0.00 0.95 -0.75 -1.35 7.01 -0.81 -2.44 115.95 118.56 1dvv h TRP 77 Ca -0.00 -0.46 0.00 0.00 2.11 0.00 0.00 58.89 60.54 1dvv h TRP 77 Cb 0.10 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 1dvv h TRP 77 CO 0.00 1.29 0.47 0.82 -2.79 0.00 0.00 178.44 178.23 1dvv h ILE 78 N 0.34 1.20 0.00 2.65 2.04 -0.40 0.14 117.51 123.49 1dvv h ILE 78 Ca -0.08 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1dvv h ILE 78 Cb 1.45 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1dvv h ILE 78 CO 0.16 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.70 1dvv n LEU 79 N -4.53 0.56 -0.01 1.44 4.32 -1.06 -2.95 117.00 114.77 1dvv n LEU 79 Ca 0.07 0.59 0.11 0.00 -0.02 0.00 0.00 56.01 56.76 1dvv n LEU 79 Cb 0.04 -0.46 -0.15 0.00 -1.62 0.00 0.00 43.42 41.23 1dvv n LEU 79 CO 0.37 -0.31 -0.45 -0.24 -1.22 0.00 0.00 177.39 175.53 1dvv n SER 80 N -2.06 0.44 -4.53 -1.43 2.88 -0.42 -4.87 113.62 103.63 1dvv n SER 80 Ca 0.04 -0.43 -0.22 0.00 -1.33 0.00 0.00 58.87 56.93 1dvv n SER 80 Cb 0.31 1.57 -0.13 0.00 -0.75 0.00 0.00 64.21 65.21 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 -1.93 0.36 -0.06 -1.46 1.13 0.37 -5.05 117.38 110.73 1dvv n GLN 81 Ca -0.01 -0.35 0.00 0.00 -1.94 0.00 0.00 57.00 54.71 1dvv n GLN 81 Cb 0.47 -2.46 0.00 0.00 0.11 0.00 0.00 30.24 28.35 1dvv n GLN 81 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25