#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 3.11 0.14 1.62 1.01 -1.26 -4.92 116.67 116.38 1dvv s ASP 2 Ca 0.00 1.67 -0.16 0.00 0.71 0.00 0.00 52.55 54.77 1dvv s ASP 2 Cb 0.00 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.63 1dvv s ASP 2 CO 0.00 -2.89 1.75 1.55 0.21 0.00 0.00 175.17 175.79 1dvv h PRO 3 N -1.72 0.57 -0.74 8.23 0.13 -2.01 -2.67 132.00 133.78 1dvv h PRO 3 Ca -0.49 -0.07 0.17 0.00 -0.87 0.00 0.00 66.00 64.74 1dvv h PRO 3 Cb 1.28 -0.11 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 1dvv h PRO 3 CO 0.51 0.46 0.16 1.05 -0.23 0.00 0.00 178.00 179.95 1dvv h GLU 4 N 0.53 0.23 -0.61 0.86 4.11 -1.92 0.26 114.58 118.04 1dvv h GLU 4 Ca 0.14 -0.01 0.12 0.00 0.07 0.00 0.00 59.36 59.68 1dvv h GLU 4 Cb 0.05 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 1dvv h GLU 4 CO -0.02 0.15 0.10 0.28 0.07 0.00 0.00 179.01 179.59 1dvv h VAL 5 N 0.24 0.59 -0.15 -1.06 2.07 -1.83 -0.57 116.25 115.53 1dvv h VAL 5 Ca 0.42 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.90 1dvv h VAL 5 Cb 0.73 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1dvv h VAL 5 CO -0.54 0.04 -0.07 -0.07 0.02 0.00 0.00 177.57 176.95 1dvv h LEU 6 N 0.22 -0.24 -1.92 2.57 3.38 -0.50 0.29 115.31 119.10 1dvv h LEU 6 Ca 0.32 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.50 1dvv h LEU 6 Cb 0.50 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1dvv h LEU 6 CO -0.44 -0.10 0.51 0.00 0.09 0.00 0.00 178.44 178.51 1dvv h ALA 7 N 1.08 2.26 0.00 1.53 0.00 -0.45 0.18 119.26 123.86 1dvv h ALA 7 Ca 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1dvv h ALA 7 Cb 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dvv h ALA 7 CO -0.19 -0.77 -0.26 0.87 0.00 0.00 0.00 179.25 178.89 1dvv h LYS 8 N 0.00 0.00 0.00 0.00 1.79 -0.38 0.35 116.57 118.32 1dvv h LYS 8 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1dvv h LYS 8 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1dvv h LYS 8 CO -0.00 0.33 0.00 0.09 -1.08 0.00 0.00 179.45 178.79 1dvv n ASN 9 N -4.67 0.17 -0.00 0.86 3.02 -0.69 -1.42 115.26 112.53 1dvv n ASN 9 Ca -0.07 0.56 0.10 0.00 -0.03 0.00 0.00 54.58 55.13 1dvv n ASN 9 Cb 0.24 -0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 38.69 1dvv n ASN 9 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1dvv n LYS 10 N -1.71 0.55 -0.70 3.52 4.76 0.01 -4.97 118.16 119.64 1dvv n LYS 10 Ca 0.01 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1dvv n LYS 10 Cb 0.09 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 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 1.41 0.63 0.33 0.72 0.00 -0.51 -4.94 105.19 102.83 1dvv n GLY 11 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.31 0.72 -0.05 0.00 2.81 -0.92 -2.44 117.12 112.94 1dvv n MET 13 Ca 0.07 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.83 1dvv n MET 13 Cb 0.18 -1.38 -0.12 0.00 -0.71 0.00 0.00 33.22 31.20 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 3.20 -0.01 0.00 3.04 0.00 -1.55 -3.37 119.26 120.57 1dvv h ALA 14 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1dvv h ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1dvv h ALA 14 CO 0.00 -0.08 -1.40 0.00 0.00 0.00 0.00 179.25 177.77 1dvv s HIS 16 N -3.22 2.15 0.35 0.00 4.02 -1.02 -1.72 115.29 115.85 1dvv s HIS 16 Ca 0.01 -0.62 -0.03 0.00 1.02 0.00 0.00 55.06 55.44 1dvv s HIS 16 Cb 0.15 -2.14 0.01 0.00 -1.02 0.00 0.00 32.58 29.59 1dvv s HIS 16 CO 0.88 -0.48 0.51 0.00 1.02 0.00 0.00 174.74 176.68 1dvv n ALA 17 N -1.79 -0.49 0.04 -1.40 0.00 -1.26 -4.70 120.51 110.90 1dvv n ALA 17 Ca 0.05 -1.56 0.02 0.00 0.00 0.00 0.00 53.44 51.95 1dvv n ALA 17 Cb 0.62 1.25 -0.07 0.00 0.00 0.00 0.00 19.45 21.25 1dvv n ALA 17 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1dvv n ILE 18 N -0.56 1.07 0.00 0.00 -0.00 -1.26 -0.24 119.36 118.37 1dvv n ILE 18 Ca -0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 62.75 62.08 1dvv n ILE 18 Cb 0.58 -0.65 0.00 0.00 -0.00 0.00 0.00 39.64 39.57 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 -2.83 0.00 -2.93 4.38 5.75 -1.26 -1.60 116.55 118.05 1dvv n ASP 19 Ca -0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.58 1dvv n ASP 19 Cb 0.80 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.99 1dvv n ASP 19 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1dvv n THR 20 N -0.35 0.00 -3.94 2.12 -2.24 -1.26 -4.70 114.28 103.91 1dvv n THR 20 Ca 0.00 -0.17 -0.31 0.00 -2.27 0.00 0.00 64.05 61.30 1dvv n THR 20 Cb 0.00 -1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 67.06 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 -3.96 1.45 0.00 -0.78 2.20 -1.26 -3.51 119.74 113.88 1dvv s LYS 21 Ca 0.28 -1.34 0.00 0.00 -0.36 0.00 0.00 55.97 54.55 1dvv s LYS 21 Cb -0.03 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 1dvv s LYS 21 CO 0.21 -0.79 0.00 -1.33 -0.36 0.00 0.00 175.35 173.09 1dvv n MET 22 N 4.54 0.66 -0.03 4.03 2.81 -1.26 -4.99 117.12 122.87 1dvv n MET 22 Ca -0.05 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.71 1dvv n MET 22 Cb 0.43 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.85 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 1.36 -1.75 2.03 2.07 -1.85 -3.45 116.25 114.66 1dvv h VAL 23 Ca 0.00 -1.18 -0.43 0.00 0.82 0.00 0.00 66.70 65.91 1dvv h VAL 23 Cb 0.00 1.98 0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1dvv h VAL 23 CO 0.00 0.33 -0.26 -0.83 0.02 0.00 0.00 177.57 176.82 1dvv s GLY 24 N -3.27 1.78 0.41 2.17 0.00 -0.70 -5.05 107.32 102.66 1dvv s GLY 24 Ca -0.15 -1.52 -0.25 0.00 0.00 0.00 0.00 44.72 42.79 1dvv s GLY 24 CO 0.71 -1.37 1.26 2.56 0.00 0.00 0.00 173.10 176.26 1dvv s PRO 25 N -4.33 3.95 1.04 2.90 0.05 -1.26 -4.76 135.00 132.60 1dvv s PRO 25 Ca 0.51 2.06 -0.24 0.00 0.05 0.00 0.00 61.00 63.38 1dvv s PRO 25 Cb -0.10 -2.70 -0.07 0.00 0.05 0.00 0.00 34.50 31.68 1dvv s PRO 25 CO 0.33 -0.47 -0.90 0.00 0.05 0.00 0.00 177.00 176.01 1dvv n ALA 26 N 0.05 -4.96 -0.08 8.56 0.00 -1.23 -4.57 120.51 118.28 1dvv n ALA 26 Ca 0.04 -1.34 -0.12 0.00 0.00 0.00 0.00 53.44 52.02 1dvv n ALA 26 Cb 0.45 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.47 0.00 -0.49 0.00 0.05 -0.67 -3.23 116.97 111.16 1dvv h TYR 27 Ca -0.44 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.44 1dvv h TYR 27 Cb 1.36 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 39.01 1dvv h TYR 27 CO -0.03 0.73 -0.10 -0.22 -1.05 0.00 0.00 178.16 177.49 1dvv h LYS 28 N -1.00 0.02 -0.80 4.88 3.11 -1.49 0.24 116.57 121.53 1dvv h LYS 28 Ca -0.13 -0.00 0.10 0.00 -2.81 0.00 0.00 60.65 57.81 1dvv h LYS 28 Cb 0.82 -0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.97 1dvv h LYS 28 CO -0.08 0.01 0.44 -0.44 -2.81 0.00 0.00 179.45 176.57 1dvv h ASP 29 N 0.02 0.60 -0.89 4.20 3.32 -1.79 -0.30 116.42 121.58 1dvv h ASP 29 Ca 0.24 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.44 1dvv h ASP 29 Cb 0.36 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 1dvv h ASP 29 CO -0.49 0.33 0.57 0.58 -1.72 0.00 0.00 179.24 178.52 1dvv h VAL 30 N 0.72 0.97 0.00 -1.35 2.07 -0.97 -0.21 116.25 117.48 1dvv h VAL 30 Ca 0.39 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.50 1dvv h VAL 30 Cb 0.40 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1dvv h VAL 30 CO -0.27 0.16 -0.54 0.00 0.02 0.00 0.00 177.57 176.94 1dvv h ALA 31 N 1.55 0.76 0.00 1.67 0.00 -0.67 -2.70 119.26 119.88 1dvv h ALA 31 Ca 0.41 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1dvv h ALA 31 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1dvv h ALA 31 CO -0.17 0.68 -0.47 0.00 0.00 0.00 0.00 179.25 179.28 1dvv h ALA 32 N 1.46 1.13 0.04 0.00 0.00 0.06 0.39 119.26 122.34 1dvv h ALA 32 Ca -0.01 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 1dvv h ALA 32 Cb 1.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1dvv h ALA 32 CO 0.07 0.59 -0.84 -0.22 0.00 0.00 0.00 179.25 178.85 1dvv h LYS 33 N 0.00 0.09 0.00 0.00 3.64 -1.37 -3.30 116.57 115.64 1dvv h LYS 33 Ca -0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1dvv h LYS 33 Cb 0.88 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1dvv h LYS 33 CO 0.06 1.08 0.00 0.66 -2.27 0.00 0.00 179.45 178.98 1dvv n TYR 34 N -4.32 0.00 -1.68 1.91 4.02 -1.02 -4.83 117.16 111.23 1dvv n TYR 34 Ca -0.21 0.00 -0.51 0.00 -0.01 0.00 0.00 57.90 57.16 1dvv n TYR 34 Cb 0.69 -0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 39.77 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 -1.19 0.44 0.00 -0.72 0.00 0.12 -1.83 120.51 117.34 1dvv n ALA 35 Ca 0.15 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1dvv n ALA 35 Cb 0.17 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.26 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 4.09 2.71 3.70 0.00 0.00 -1.26 -5.04 105.19 109.39 1dvv n GLY 36 Ca 0.23 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 4.18 -0.24 1.61 -1.52 -0.76 -4.87 119.66 118.06 1dvv s GLN 37 Ca 0.00 2.43 -0.03 0.00 -1.95 0.00 0.00 55.36 55.81 1dvv s GLN 37 Cb 0.00 -3.49 0.01 0.00 -0.22 0.00 0.00 33.01 29.31 1dvv s GLN 37 CO 0.00 -0.74 2.69 0.00 -0.25 0.00 0.00 175.29 176.99 1dvv n ALA 38 N 5.24 5.76 0.00 6.09 0.00 -1.26 -3.95 120.51 132.38 1dvv n ALA 38 Ca 0.16 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.64 1dvv n ALA 38 Cb 0.39 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 1.24 0.00 0.06 0.00 0.00 -1.26 -5.01 105.19 100.22 1dvv n GLY 39 Ca 0.36 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.51 1dvv n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dvv n ALA 40 N 0.00 2.30 0.21 4.61 0.00 -1.25 -3.13 120.51 123.25 1dvv n ALA 40 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.49 1dvv n ALA 40 Cb 0.00 -1.47 0.34 0.00 0.00 0.00 0.00 19.45 18.32 1dvv n ALA 40 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1dvv h GLU 41 N 0.00 0.00 0.06 0.00 4.11 -1.93 -1.55 114.58 115.27 1dvv h GLU 41 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1dvv h GLU 41 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1dvv h GLU 41 CO 0.00 0.19 -0.03 0.00 0.07 0.00 0.00 179.01 179.23 1dvv h ALA 42 N 1.81 -0.09 -0.14 1.06 0.00 -1.95 -1.83 119.26 118.13 1dvv h ALA 42 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1dvv h ALA 42 Cb 0.90 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1dvv h ALA 42 CO 0.02 -0.26 -0.44 -0.92 0.00 0.00 0.00 179.25 177.65 1dvv h TYR 43 N -0.67 0.39 -0.01 0.00 3.20 -1.71 -1.92 116.97 116.25 1dvv h TYR 43 Ca -0.01 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 1dvv h TYR 43 Cb 0.56 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1dvv h TYR 43 CO 0.11 0.72 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.21 1dvv h LEU 44 N 0.27 0.01 -0.09 2.82 3.38 -1.27 0.14 115.31 120.57 1dvv h LEU 44 Ca 0.02 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1dvv h LEU 44 Cb 0.89 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.65 1dvv h LEU 44 CO 0.07 0.08 -0.95 0.00 0.09 0.00 0.00 178.44 177.73 1dvv h ALA 45 N 1.92 0.24 0.00 1.53 0.00 -0.55 -1.56 119.26 120.84 1dvv h ALA 45 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1dvv h ALA 45 Cb 0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dvv h ALA 45 CO 0.01 0.72 0.00 0.37 0.00 0.00 0.00 179.25 180.34 1dvv h GLN 46 N 0.39 0.00 0.00 0.00 4.15 -0.87 -2.02 115.11 116.76 1dvv h GLN 46 Ca -0.10 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.20 1dvv h GLN 46 Cb 1.59 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.26 1dvv h GLN 46 CO 0.18 0.00 -1.30 0.54 -1.93 0.00 0.00 178.83 176.32 1dvv n ARG 47 N -3.00 0.62 0.14 1.69 5.12 -0.05 -3.26 116.66 117.91 1dvv n ARG 47 Ca 0.02 0.19 0.12 0.00 -1.93 0.00 0.00 57.85 56.25 1dvv n ARG 47 Cb 0.38 -1.81 0.06 0.00 -1.16 0.00 0.00 32.46 29.93 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 0.00 0.00 0.55 2.04 -1.10 0.37 117.51 119.37 1dvv h ILE 48 Ca -0.12 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.69 1dvv h ILE 48 Cb 1.42 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1dvv h ILE 48 CO 0.03 0.00 -0.98 0.50 0.00 0.00 0.00 178.15 177.71 1dvv h LYS 49 N 0.00 0.00 0.00 2.37 3.64 -1.47 -3.25 116.57 117.86 1dvv h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1dvv h LYS 49 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1dvv h LYS 49 CO 0.00 0.19 0.00 0.09 -2.27 0.00 0.00 179.45 177.46 1dvv n ASN 50 N -2.89 0.23 -1.02 4.20 3.02 -1.20 -3.44 115.26 114.16 1dvv n ASN 50 Ca -0.03 -0.56 0.12 0.00 -0.03 0.00 0.00 54.58 54.08 1dvv n ASN 50 Cb 0.69 0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 40.28 1dvv n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dvv n GLY 51 N 0.46 -1.44 0.00 7.41 0.00 0.13 -3.55 105.19 108.21 1dvv n GLY 51 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1dvv n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dvv n SER 52 N -4.28 0.00 -1.05 1.61 2.88 0.00 -4.74 113.62 108.03 1dvv n SER 52 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1dvv n SER 52 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1dvv n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dvv n GLN 53 N -0.89 1.96 -1.42 -1.46 0.00 -1.26 -1.22 117.38 113.08 1dvv n GLN 53 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 56.85 1dvv n GLN 53 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 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 5.00 1.46 0.02 2.61 0.00 -1.23 -4.85 105.19 108.20 1dvv n GLY 54 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.48 0.33 0.00 1.61 0.31 -1.26 -4.92 118.33 111.93 1dvv n VAL 55 Ca -0.15 0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1dvv n VAL 55 Cb 0.53 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 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 -2.88 0.00 -4.04 3.52 7.02 -1.26 -5.11 117.44 114.70 1dvv n TRP 56 Ca -0.02 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.33 1dvv n TRP 56 Cb 0.09 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.95 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 2.87 2.63 0.00 6.99 0.00 -1.26 -5.01 105.19 111.41 1dvv n GLY 57 Ca 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.46 0.47 -3.53 1.61 -0.05 -1.26 -3.56 135.00 128.23 1dvv n PRO 58 Ca 0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 63.50 63.06 1dvv n PRO 58 Cb 0.46 -1.09 -0.08 0.00 -0.05 0.00 0.00 33.50 32.74 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 4.35 0.22 0.52 1.01 -1.26 -4.89 121.20 119.15 1dvv s ILE 59 Ca 0.04 -1.69 -0.30 0.00 0.00 0.00 0.00 60.65 58.70 1dvv s ILE 59 Cb 0.02 -3.82 -0.10 0.00 0.01 0.00 0.00 42.46 38.56 1dvv s ILE 59 CO 0.03 -0.75 1.49 -2.16 0.00 0.00 0.00 174.94 173.56 1dvv s PRO 60 N 1.40 4.24 0.20 2.79 0.04 -1.26 -4.69 135.00 137.73 1dvv s PRO 60 Ca 0.05 2.34 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 1dvv s PRO 60 Cb -0.26 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.08 1dvv s PRO 60 CO 0.00 -0.50 1.22 1.41 0.04 0.00 0.00 177.00 179.17 1dvv s MET 61 N 0.10 4.47 0.17 4.56 1.75 -0.36 -4.62 119.30 125.38 1dvv s MET 61 Ca 0.63 1.93 -0.31 0.00 -1.25 0.00 0.00 55.69 56.68 1dvv s MET 61 Cb -0.43 -3.22 -0.10 0.00 2.84 0.00 0.00 34.83 33.92 1dvv s MET 61 CO 0.40 -0.10 1.56 -1.25 -0.65 0.00 0.00 175.02 174.98 1dvv s PRO 62 N -0.40 4.21 0.31 4.11 0.05 -1.26 -0.82 135.00 141.20 1dvv s PRO 62 Ca 0.53 2.37 -0.30 0.00 0.05 0.00 0.00 61.00 63.65 1dvv s PRO 62 Cb -0.34 -3.15 -0.11 0.00 0.05 0.00 0.00 34.50 30.95 1dvv s PRO 62 CO 0.38 -0.60 1.59 -1.25 0.05 0.00 0.00 177.00 177.17 1dvv s PRO 63 N 1.00 4.11 0.32 0.56 0.04 -1.23 -4.46 135.00 135.34 1dvv s PRO 63 Ca 0.69 2.59 0.08 0.00 0.04 0.00 0.00 61.00 64.41 1dvv s PRO 63 Cb -0.44 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1dvv s PRO 63 CO 0.32 -0.63 0.19 -0.80 0.04 0.00 0.00 177.00 176.12 1dvv s ASN 64 N 0.42 5.00 -0.40 6.66 0.01 -1.22 -4.88 114.94 120.52 1dvv s ASN 64 Ca 0.62 -0.59 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 1dvv s ASN 64 Cb -0.48 -0.92 0.37 0.00 0.41 0.00 0.00 41.25 40.63 1dvv s ASN 64 CO 0.50 -0.25 1.87 0.00 -1.51 0.00 0.00 177.10 177.72 1dvv n ALA 65 N -1.21 5.23 -2.64 0.60 0.00 -1.26 -4.55 120.51 116.67 1dvv n ALA 65 Ca -0.04 -2.22 -0.43 0.00 0.00 0.00 0.00 53.44 50.75 1dvv n ALA 65 Cb 0.60 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.90 4.24 0.44 0.00 -7.23 -1.26 -4.99 120.40 108.70 1dvv s VAL 66 Ca 0.42 0.41 -0.21 0.00 -1.81 0.00 0.00 61.98 60.79 1dvv s VAL 66 Cb 0.34 -4.62 -0.14 0.00 0.56 0.00 0.00 36.38 32.52 1dvv s VAL 66 CO 0.02 -1.25 0.23 -1.54 -0.31 0.00 0.00 175.10 172.25 1dvv n SER 67 N 7.86 -2.26 -0.56 4.85 3.41 -1.26 -3.92 113.62 121.75 1dvv n SER 67 Ca 0.03 0.81 0.45 0.00 -0.26 0.00 0.00 58.87 59.90 1dvv n SER 67 Cb 0.48 -0.97 0.77 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.40 0.06 -0.11 4.04 2.03 -1.94 0.72 116.42 121.63 1dvv h ASP 68 Ca -0.39 0.03 -0.02 0.00 -0.73 0.00 0.00 57.03 55.92 1dvv h ASP 68 Cb 1.43 0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 39.95 1dvv h ASP 68 CO 0.47 -0.04 -0.03 0.44 -1.03 0.00 0.00 179.24 179.06 1dvv h ASP 69 N 0.03 0.21 -0.15 4.15 5.19 -1.99 0.43 116.42 124.29 1dvv h ASP 69 Ca 0.82 -0.37 -0.01 0.00 -0.62 0.00 0.00 57.03 56.85 1dvv h ASP 69 Cb 3.13 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 42.57 1dvv h ASP 69 CO -0.11 0.53 0.05 -0.33 -3.12 0.00 0.00 179.24 176.27 1dvv h GLU 70 N -0.11 0.23 0.00 3.56 5.08 0.16 -1.57 114.58 121.93 1dvv h GLU 70 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1dvv h GLU 70 Cb 0.44 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1dvv h GLU 70 CO 0.01 0.34 0.00 0.00 -1.00 0.00 0.00 179.01 178.36 1dvv h ALA 71 N 0.88 1.00 -0.04 3.43 0.00 -1.26 -1.00 119.26 122.28 1dvv h ALA 71 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1dvv h ALA 71 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1dvv h ALA 71 CO -0.00 0.00 -0.38 1.96 0.00 0.00 0.00 179.25 180.82 1dvv h GLN 72 N 0.00 0.34 0.00 0.00 1.08 0.06 -1.04 115.11 115.55 1dvv h GLN 72 Ca 0.00 -0.30 -0.09 0.00 -1.45 0.00 0.00 58.65 56.80 1dvv h GLN 72 Cb 0.30 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1dvv h GLN 72 CO 0.00 0.97 -0.45 1.15 -0.95 0.00 0.00 178.83 179.55 1dvv h THR 73 N -0.19 1.10 -0.19 -0.54 2.02 -0.97 -2.45 112.91 111.69 1dvv h THR 73 Ca -0.04 -1.66 -0.13 0.00 0.77 0.00 0.00 66.41 65.35 1dvv h THR 73 Cb 1.07 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 1dvv h THR 73 CO 0.08 0.44 -0.44 -0.07 0.37 0.00 0.00 175.52 175.90 1dvv h LEU 74 N 0.00 0.50 0.30 2.58 3.38 -1.10 -0.14 115.31 120.83 1dvv h LEU 74 Ca -0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1dvv h LEU 74 Cb 0.92 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1dvv h LEU 74 CO 0.06 0.88 -0.14 0.00 0.09 0.00 0.00 178.44 179.32 1dvv h ALA 75 N 1.15 -0.40 -0.08 1.53 0.00 -0.81 -1.54 119.26 119.11 1dvv h ALA 75 Ca 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1dvv h ALA 75 Cb 0.92 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1dvv h ALA 75 CO 0.08 -0.54 0.10 0.87 0.00 0.00 0.00 179.25 179.76 1dvv h LYS 76 N -0.77 0.00 -0.24 0.00 1.57 -1.42 -0.72 116.57 114.99 1dvv h LYS 76 Ca -0.04 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1dvv h LYS 76 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1dvv h LYS 76 CO 0.07 0.00 -0.32 2.35 -0.57 0.00 0.00 179.45 180.98 1dvv h TRP 77 N 0.00 0.78 0.06 -1.35 7.01 -0.57 -0.13 115.95 121.75 1dvv h TRP 77 Ca 0.04 -0.25 0.00 0.00 2.11 0.00 0.00 58.89 60.79 1dvv h TRP 77 Cb 0.23 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1dvv h TRP 77 CO 0.00 0.99 -0.05 0.82 -2.79 0.00 0.00 178.44 177.41 1dvv h ILE 78 N 0.34 0.88 0.00 2.65 2.04 -0.12 0.26 117.51 123.56 1dvv h ILE 78 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1dvv h ILE 78 Cb 0.90 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1dvv h ILE 78 CO 0.08 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.41 1dvv n LEU 79 N -5.16 0.00 0.01 1.44 4.77 -1.05 -2.58 117.00 114.43 1dvv n LEU 79 Ca -0.07 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.52 1dvv n LEU 79 Cb 0.09 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.59 1dvv n LEU 79 CO 0.32 -0.16 -0.34 -0.24 -1.33 0.00 0.00 177.39 175.65 1dvv n SER 80 N -1.50 0.45 -0.31 -1.43 2.88 -0.06 -4.37 113.62 109.28 1dvv n SER 80 Ca 0.05 -0.23 0.17 0.00 -1.33 0.00 0.00 58.87 57.52 1dvv n SER 80 Cb 0.23 1.33 0.34 0.00 -0.75 0.00 0.00 64.21 65.36 1dvv n SER 80 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1dvv h GLN 81 N 0.00 0.15 0.00 -1.46 1.08 -0.28 -3.50 115.11 111.10 1dvv h GLN 81 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1dvv h GLN 81 Cb 0.82 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1dvv h GLN 81 CO 0.00 0.10 0.00 1.17 -0.95 0.00 0.00 178.83 179.15