#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 1.37 0.63 4.31 1.01 -1.26 -4.85 116.67 117.88 1dvv s ASP 2 Ca 0.00 0.82 0.40 0.00 0.71 0.00 0.00 52.55 54.49 1dvv s ASP 2 Cb 0.00 -1.22 2.14 0.00 1.01 0.00 0.00 42.92 44.85 1dvv s ASP 2 CO 0.00 -3.87 2.28 1.55 0.21 0.00 0.00 175.17 175.34 1dvv h PRO 3 N -2.40 0.00 -0.26 8.23 0.14 -1.99 -2.34 132.00 133.38 1dvv h PRO 3 Ca -0.49 0.00 -0.07 0.00 0.14 0.00 0.00 66.00 65.58 1dvv h PRO 3 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.44 1dvv h PRO 3 CO 0.42 0.01 -0.12 1.49 0.14 0.00 0.00 178.00 179.93 1dvv h GLU 4 N 0.00 0.54 -0.05 0.86 4.22 -1.96 0.16 114.58 118.35 1dvv h GLU 4 Ca -0.00 -0.24 0.01 0.00 0.08 0.00 0.00 59.36 59.22 1dvv h GLU 4 Cb 0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1dvv h GLU 4 CO 0.00 0.79 -0.02 0.28 -2.18 0.00 0.00 179.01 177.88 1dvv h VAL 5 N 0.27 0.93 0.00 0.32 2.07 -1.75 -1.25 116.25 116.83 1dvv h VAL 5 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1dvv h VAL 5 Cb 0.63 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1dvv h VAL 5 CO 0.04 0.00 -0.14 0.17 0.02 0.00 0.00 177.57 177.66 1dvv h LEU 6 N -0.02 0.00 -0.95 2.57 8.10 -1.54 -2.70 115.31 120.78 1dvv h LEU 6 Ca 0.03 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.99 1dvv h LEU 6 Cb 0.06 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.24 1dvv h LEU 6 CO -0.06 0.14 0.35 0.00 -4.11 0.00 0.00 178.44 174.76 1dvv h ALA 7 N 1.86 1.18 0.14 0.17 0.00 0.51 -1.04 119.26 122.07 1dvv h ALA 7 Ca -0.00 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 1dvv h ALA 7 Cb 0.65 -0.30 0.03 0.00 0.00 0.00 0.00 17.79 18.17 1dvv h ALA 7 CO 0.02 0.62 -1.16 -0.22 0.00 0.00 0.00 179.25 178.51 1dvv h LYS 8 N 1.09 0.55 0.00 0.00 3.64 -1.16 0.35 116.57 121.04 1dvv h LYS 8 Ca 0.26 -0.77 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1dvv h LYS 8 Cb 0.14 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1dvv h LYS 8 CO -0.03 1.35 -0.05 -0.91 -2.27 0.00 0.00 179.45 177.53 1dvv h ASN 9 N 0.12 0.00 0.64 4.20 -0.26 -1.27 -1.32 115.58 117.69 1dvv h ASN 9 Ca -0.18 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.56 1dvv h ASN 9 Cb 1.86 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.12 1dvv h ASN 9 CO 0.22 0.05 -0.81 0.29 -1.06 0.00 0.00 177.43 176.12 1dvv n LYS 10 N -3.53 0.28 -0.35 0.81 4.76 -0.41 -4.94 118.16 114.78 1dvv n LYS 10 Ca -0.02 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1dvv n LYS 10 Cb 0.16 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 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 1.36 0.82 0.26 0.72 0.00 -0.50 -4.96 105.19 102.88 1dvv n GLY 11 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.05 0.97 -0.04 0.00 2.81 -1.17 -2.48 117.12 113.16 1dvv n MET 13 Ca -0.02 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.67 1dvv n MET 13 Cb 0.53 -1.16 -0.13 0.00 -0.71 0.00 0.00 33.22 31.75 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 3.26 0.18 0.00 3.04 0.00 -1.81 -3.39 119.26 120.54 1dvv h ALA 14 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1dvv h ALA 14 Cb 0.00 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1dvv h ALA 14 CO 0.00 0.66 -1.57 0.00 0.00 0.00 0.00 179.25 178.34 1dvv s HIS 16 N -3.33 1.62 0.00 0.00 4.02 -1.04 -1.08 115.29 115.49 1dvv s HIS 16 Ca -0.02 -0.85 0.00 0.00 1.02 0.00 0.00 55.06 55.21 1dvv s HIS 16 Cb 0.14 -1.91 0.00 0.00 -1.02 0.00 0.00 32.58 29.80 1dvv s HIS 16 CO 0.88 -0.46 0.00 0.00 1.02 0.00 0.00 174.74 176.18 1dvv n ALA 17 N -1.76 0.00 -0.38 -1.40 0.00 -1.26 -4.70 120.51 111.02 1dvv n ALA 17 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1dvv n ALA 17 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 0.00 0.00 0.37 0.00 2.08 -1.26 -0.89 119.36 119.66 1dvv n ILE 18 Ca 0.00 0.31 0.04 0.00 0.56 0.00 0.00 62.75 63.66 1dvv n ILE 18 Cb 0.00 -1.14 -0.04 0.00 -0.75 0.00 0.00 39.64 37.71 1dvv n ILE 18 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1dvv n ASP 19 N -1.81 0.41 -3.02 4.38 2.03 -1.26 -0.77 116.55 116.52 1dvv n ASP 19 Ca 0.00 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.63 1dvv n ASP 19 Cb 0.00 1.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 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 -1.19 0.00 -3.66 5.18 -2.24 -1.26 -4.81 114.28 106.29 1dvv n THR 20 Ca 0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.65 1dvv n THR 20 Cb 0.12 -1.74 -0.14 0.00 -2.10 0.00 0.00 70.33 66.47 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 -0.33 0.11 0.00 -0.78 1.02 -1.26 -3.39 119.74 115.11 1dvv s LYS 21 Ca 0.00 0.67 0.00 0.00 0.02 0.00 0.00 55.97 56.66 1dvv s LYS 21 Cb 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 1dvv s LYS 21 CO 0.00 -0.30 0.00 -1.33 -0.92 0.00 0.00 175.35 172.80 1dvv n MET 22 N 5.34 0.00 0.08 1.68 2.81 -1.26 -4.98 117.12 120.80 1dvv n MET 22 Ca -0.06 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.73 1dvv n MET 22 Cb 0.50 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.93 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 1.55 -0.99 2.03 2.07 -1.42 -3.46 116.25 116.03 1dvv h VAL 23 Ca 0.00 -2.95 -0.65 0.00 0.82 0.00 0.00 66.70 63.92 1dvv h VAL 23 Cb 0.00 2.70 -0.13 0.00 -1.52 0.00 0.00 31.29 32.34 1dvv h VAL 23 CO 0.00 0.85 -0.55 -0.83 0.02 0.00 0.00 177.57 177.07 1dvv s GLY 24 N -4.60 2.81 0.39 2.17 0.00 -0.60 -4.99 107.32 102.49 1dvv s GLY 24 Ca -0.02 -1.11 -0.27 0.00 0.00 0.00 0.00 44.72 43.32 1dvv s GLY 24 CO 0.84 -2.14 1.31 2.56 0.00 0.00 0.00 173.10 175.68 1dvv s PRO 25 N -3.81 4.03 0.87 2.90 0.05 -1.26 -4.80 135.00 132.97 1dvv s PRO 25 Ca 0.17 2.19 -0.17 0.00 0.05 0.00 0.00 61.00 63.24 1dvv s PRO 25 Cb 0.05 -2.81 -0.12 0.00 0.05 0.00 0.00 34.50 31.67 1dvv s PRO 25 CO 0.09 -0.45 -0.40 0.00 0.05 0.00 0.00 177.00 176.29 1dvv n ALA 26 N 0.24 -4.31 0.13 8.56 0.00 -1.22 -4.69 120.51 119.23 1dvv n ALA 26 Ca 0.03 -0.51 -0.06 0.00 0.00 0.00 0.00 53.44 52.90 1dvv n ALA 26 Cb 0.43 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.82 -0.36 -0.82 0.00 0.05 0.10 -2.94 116.97 112.17 1dvv h TYR 27 Ca -0.43 -0.01 0.20 0.00 0.05 0.00 0.00 58.73 58.54 1dvv h TYR 27 Cb 1.33 0.12 -0.13 0.00 1.01 0.00 0.00 36.73 39.06 1dvv h TYR 27 CO 0.25 -0.23 0.15 -0.22 -1.05 0.00 0.00 178.16 177.06 1dvv h LYS 28 N -0.97 0.18 -0.68 4.88 3.64 -1.28 0.42 116.57 122.75 1dvv h LYS 28 Ca -0.04 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.46 1dvv h LYS 28 Cb 0.30 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 1dvv h LYS 28 CO 0.07 0.12 0.21 -0.44 -2.27 0.00 0.00 179.45 177.14 1dvv h ASP 29 N 0.18 0.14 -0.61 4.20 5.19 -1.72 0.28 116.42 124.07 1dvv h ASP 29 Ca 0.49 0.11 0.08 0.00 -0.62 0.00 0.00 57.03 57.09 1dvv h ASP 29 Cb 0.92 0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.49 1dvv h ASP 29 CO -0.64 0.06 0.27 0.58 -3.12 0.00 0.00 179.24 176.39 1dvv h VAL 30 N 0.35 0.84 0.00 -1.35 2.07 0.02 0.14 116.25 118.33 1dvv h VAL 30 Ca 0.37 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1dvv h VAL 30 Cb 0.55 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1dvv h VAL 30 CO -0.41 0.09 -0.06 0.00 0.02 0.00 0.00 177.57 177.21 1dvv h ALA 31 N 1.38 1.02 0.00 1.67 0.00 -0.72 -1.74 119.26 120.88 1dvv h ALA 31 Ca 0.30 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1dvv h ALA 31 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1dvv h ALA 31 CO -0.25 0.08 -0.73 0.00 0.00 0.00 0.00 179.25 178.34 1dvv h ALA 32 N 1.94 0.56 0.07 0.00 0.00 0.11 -1.48 119.26 120.44 1dvv h ALA 32 Ca -0.00 -0.67 -0.33 0.00 0.00 0.00 0.00 54.91 53.91 1dvv h ALA 32 Cb 0.54 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1dvv h ALA 32 CO 0.01 0.92 -1.85 1.17 0.00 0.00 0.00 179.25 179.49 1dvv n LYS 33 N -3.33 0.70 0.00 0.00 3.00 -0.61 -3.93 118.16 113.99 1dvv n LYS 33 Ca 0.01 0.28 0.13 0.00 -0.00 0.00 0.00 58.31 58.73 1dvv n LYS 33 Cb 0.81 -1.75 0.42 0.00 0.00 0.00 0.00 35.03 34.51 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 -3.27 0.00 -1.35 5.64 4.01 -0.68 -4.87 117.16 116.63 1dvv n TYR 34 Ca -0.24 0.00 -0.58 0.00 -0.16 0.00 0.00 57.90 56.91 1dvv n TYR 34 Cb 1.05 -0.33 -0.11 0.00 -0.31 0.00 0.00 39.34 39.65 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 -1.41 0.27 0.00 -0.72 0.00 -0.56 -1.91 120.51 116.18 1dvv n ALA 35 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1dvv n ALA 35 Cb 0.33 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 6.88 0.99 3.86 0.00 0.00 -1.26 -5.06 105.19 110.60 1dvv n GLY 36 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 0.02 3.16 -0.28 1.61 -1.52 -0.80 -4.99 119.66 116.86 1dvv s GLN 37 Ca 0.00 -0.64 -0.02 0.00 -1.95 0.00 0.00 55.36 52.75 1dvv s GLN 37 Cb 0.00 -2.85 0.14 0.00 -0.22 0.00 0.00 33.01 30.08 1dvv s GLN 37 CO 0.00 0.55 2.22 0.00 -0.25 0.00 0.00 175.29 177.81 1dvv n ALA 38 N 0.01 5.26 0.00 6.09 0.00 -1.26 -4.36 120.51 126.25 1dvv n ALA 38 Ca -0.07 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.69 1dvv n ALA 38 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.69 0.85 0.20 0.00 0.00 -1.26 -5.03 105.19 100.64 1dvv n GLY 39 Ca 0.30 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.36 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 1.47 -0.10 4.61 0.00 -1.94 -2.40 119.26 120.90 1dvv h ALA 40 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1dvv h ALA 40 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1dvv h ALA 40 CO 0.00 0.37 -0.40 0.93 0.00 0.00 0.00 179.25 180.16 1dvv h GLU 41 N 0.00 0.22 0.13 0.00 5.08 -1.95 0.20 114.58 118.26 1dvv h GLU 41 Ca -0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1dvv h GLU 41 Cb 0.54 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1dvv h GLU 41 CO 0.04 0.59 -0.06 0.00 -1.00 0.00 0.00 179.01 178.57 1dvv h ALA 42 N 1.41 -0.17 0.00 3.43 0.00 -1.84 -1.69 119.26 120.39 1dvv h ALA 42 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1dvv h ALA 42 Cb 0.79 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1dvv h ALA 42 CO 0.06 -0.32 0.00 -0.92 0.00 0.00 0.00 179.25 178.07 1dvv h TYR 43 N -0.73 0.00 -0.05 0.00 3.20 -1.49 -1.75 116.97 116.15 1dvv h TYR 43 Ca -0.02 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.67 1dvv h TYR 43 Cb 0.53 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1dvv h TYR 43 CO 0.09 0.00 -0.75 -0.07 -1.64 0.00 0.00 178.16 175.78 1dvv h LEU 44 N 0.00 0.36 -0.74 2.82 3.38 -0.52 -1.85 115.31 118.76 1dvv h LEU 44 Ca 0.00 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1dvv h LEU 44 Cb 0.50 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1dvv h LEU 44 CO 0.00 0.99 -0.54 0.00 0.09 0.00 0.00 178.44 178.98 1dvv h ALA 45 N 1.00 0.93 -0.11 1.53 0.00 -0.42 0.22 119.26 122.41 1dvv h ALA 45 Ca -0.03 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 1dvv h ALA 45 Cb 1.33 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1dvv h ALA 45 CO 0.12 0.68 -0.46 1.96 0.00 0.00 0.00 179.25 181.55 1dvv h GLN 46 N 0.19 0.51 0.00 0.00 4.20 -1.26 -1.81 115.11 116.94 1dvv h GLN 46 Ca 0.00 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1dvv h GLN 46 Cb 1.01 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1dvv h GLN 46 CO 0.08 1.03 0.00 0.00 -0.67 0.00 0.00 178.83 179.27 1dvv h ARG 47 N 0.11 0.00 0.00 1.46 2.47 -1.29 -2.83 114.38 114.30 1dvv h ARG 47 Ca -0.03 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 1dvv h ARG 47 Cb 1.10 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.40 1dvv h ARG 47 CO 0.10 0.00 -0.75 0.82 0.56 0.00 0.00 179.97 180.70 1dvv h ILE 48 N 0.00 0.69 0.00 2.04 2.04 -0.45 0.50 117.51 122.34 1dvv h ILE 48 Ca 0.00 -2.05 -0.23 0.00 1.00 0.00 0.00 64.86 63.58 1dvv h ILE 48 Cb 0.75 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 39.05 1dvv h ILE 48 CO 0.00 0.39 -1.30 0.11 0.00 0.00 0.00 178.15 177.35 1dvv h LYS 49 N 0.00 0.00 -0.00 2.37 1.57 -1.18 -3.29 116.57 116.03 1dvv h LYS 49 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1dvv h LYS 49 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1dvv h LYS 49 CO 0.05 0.67 -0.14 0.27 -0.57 0.00 0.00 179.45 179.73 1dvv n ASN 50 N -3.16 0.90 -1.43 0.86 0.23 -1.08 -2.54 115.26 109.04 1dvv n ASN 50 Ca -0.08 -0.95 0.18 0.00 -0.53 0.00 0.00 54.58 53.21 1dvv n ASN 50 Cb 0.96 0.52 -0.06 0.00 -2.08 0.00 0.00 39.78 39.11 1dvv n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dvv n GLY 51 N 0.77 -2.40 0.00 4.83 0.00 0.18 -3.60 105.19 104.97 1dvv n GLY 51 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.34 0.00 -4.59 1.61 2.88 -0.40 -4.79 113.62 103.99 1dvv n SER 52 Ca -0.03 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.27 1dvv n SER 52 Cb 0.68 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.13 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 -0.37 0.75 -1.19 -1.46 0.00 -1.26 -1.27 117.38 112.58 1dvv n GLN 53 Ca 0.00 -3.17 -0.06 0.00 0.00 0.00 0.00 57.00 53.78 1dvv n GLN 53 Cb 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 30.24 30.58 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 -1.05 0.81 0.22 2.61 0.00 -1.25 -4.91 105.19 101.61 1dvv n GLY 54 Ca -0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.86 0.42 -0.06 1.61 0.31 -1.26 -4.92 118.33 111.57 1dvv n VAL 55 Ca -0.06 0.34 -0.08 0.00 -0.01 0.00 0.00 64.34 64.53 1dvv n VAL 55 Cb 0.20 -1.64 -0.05 0.00 -0.91 0.00 0.00 33.84 31.44 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 -3.02 0.00 -2.61 3.52 7.02 -1.26 -5.11 117.44 115.98 1dvv n TRP 56 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1dvv n TRP 56 Cb 0.12 -0.45 0.00 0.00 -2.42 0.00 0.00 31.31 28.57 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 2.94 2.37 0.00 6.99 0.00 -1.26 -4.99 105.19 111.23 1dvv n GLY 57 Ca -0.21 -0.90 0.04 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 0.49 -3.58 1.61 -0.05 -1.26 -3.84 135.00 128.36 1dvv n PRO 58 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 63.50 63.06 1dvv n PRO 58 Cb 0.00 -1.25 -0.06 0.00 -0.05 0.00 0.00 33.50 32.14 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 4.52 0.80 0.52 1.01 -1.26 -4.98 121.20 119.81 1dvv s ILE 59 Ca 0.12 -3.26 -0.14 0.00 0.00 0.00 0.00 60.65 57.37 1dvv s ILE 59 Cb 0.05 -3.83 0.07 0.00 0.01 0.00 0.00 42.46 38.76 1dvv s ILE 59 CO 0.09 -1.01 1.15 -2.65 0.00 0.00 0.00 174.94 172.51 1dvv n PRO 60 N 3.06 0.24 -3.15 2.79 -0.01 -1.26 -4.91 135.00 131.76 1dvv n PRO 60 Ca 0.16 0.15 -0.39 0.00 -0.01 0.00 0.00 63.50 63.41 1dvv n PRO 60 Cb 0.39 -2.39 -0.05 0.00 -0.01 0.00 0.00 33.50 31.44 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 -3.97 4.36 0.19 -0.52 1.75 -0.40 -4.78 119.30 115.94 1dvv s MET 61 Ca 0.73 0.81 -0.31 0.00 -1.25 0.00 0.00 55.69 55.67 1dvv s MET 61 Cb -0.30 -3.35 -0.09 0.00 2.84 0.00 0.00 34.83 33.93 1dvv s MET 61 CO 0.51 0.35 1.41 -1.25 -0.65 0.00 0.00 175.02 175.39 1dvv s PRO 62 N -0.16 4.31 0.30 4.11 0.05 -1.26 -1.28 135.00 141.08 1dvv s PRO 62 Ca 0.33 2.19 -0.30 0.00 0.05 0.00 0.00 61.00 63.27 1dvv s PRO 62 Cb -0.19 -3.17 -0.12 0.00 0.05 0.00 0.00 34.50 31.07 1dvv s PRO 62 CO 0.18 -0.40 1.55 -0.35 0.05 0.00 0.00 177.00 178.03 1dvv n PRO 63 N 3.03 2.61 -4.18 0.56 -0.04 -1.24 -4.44 135.00 131.31 1dvv n PRO 63 Ca 0.09 0.93 -0.23 0.00 -0.04 0.00 0.00 63.50 64.24 1dvv n PRO 63 Cb 0.41 -2.68 -0.07 0.00 -0.04 0.00 0.00 33.50 31.12 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 0.34 4.65 -0.51 3.54 0.01 -1.05 -4.88 114.94 117.04 1dvv s ASN 64 Ca 0.62 -0.72 -0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1dvv s ASN 64 Cb -0.51 -0.79 0.43 0.00 0.41 0.00 0.00 41.25 40.80 1dvv s ASN 64 CO 0.52 -0.19 1.95 0.00 -1.51 0.00 0.00 177.10 177.87 1dvv n ALA 65 N -1.06 5.71 -2.48 0.60 0.00 -1.26 -4.59 120.51 117.43 1dvv n ALA 65 Ca -0.04 -2.77 -0.43 0.00 0.00 0.00 0.00 53.44 50.20 1dvv n ALA 65 Cb 0.60 -1.57 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.66 4.01 0.42 0.00 -7.23 -1.26 -4.97 120.40 107.71 1dvv s VAL 66 Ca 0.53 1.00 -0.22 0.00 -1.81 0.00 0.00 61.98 61.48 1dvv s VAL 66 Cb 0.42 -4.46 -0.14 0.00 0.56 0.00 0.00 36.38 32.77 1dvv s VAL 66 CO 0.02 -0.99 0.35 -1.20 -0.31 0.00 0.00 175.10 172.98 1dvv n SER 67 N 8.52 -1.72 -0.32 4.85 7.64 -1.26 -4.13 113.62 127.19 1dvv n SER 67 Ca 0.13 0.86 0.28 0.00 1.01 0.00 0.00 58.87 61.15 1dvv n SER 67 Cb 0.49 -1.02 0.52 0.00 -1.01 0.00 0.00 64.21 63.19 1dvv n SER 67 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1dvv h ASP 68 N 0.58 0.26 -0.41 6.43 2.03 -1.95 0.63 116.42 123.98 1dvv h ASP 68 Ca -0.39 0.25 -0.01 0.00 -0.73 0.00 0.00 57.03 56.14 1dvv h ASP 68 Cb 1.42 0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 40.17 1dvv h ASP 68 CO 0.49 -0.36 0.20 0.44 -1.03 0.00 0.00 179.24 178.98 1dvv h ASP 69 N 0.07 0.54 -0.57 4.15 3.32 -2.00 -1.45 116.42 120.48 1dvv h ASP 69 Ca 0.79 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.67 1dvv h ASP 69 Cb 1.98 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 41.37 1dvv h ASP 69 CO -0.75 0.51 0.17 -0.33 -1.72 0.00 0.00 179.24 177.12 1dvv h GLU 70 N 0.53 0.89 0.00 3.56 4.39 -0.04 -1.99 114.58 121.91 1dvv h GLU 70 Ca 0.14 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1dvv h GLU 70 Cb 0.12 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1dvv h GLU 70 CO -0.02 0.81 -0.08 0.00 -1.16 0.00 0.00 179.01 178.56 1dvv h ALA 71 N 1.04 1.09 -0.21 3.43 0.00 -1.05 -0.09 119.26 123.47 1dvv h ALA 71 Ca 0.18 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1dvv h ALA 71 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1dvv h ALA 71 CO -0.00 0.09 -0.57 0.37 0.00 0.00 0.00 179.25 179.14 1dvv h GLN 72 N 0.00 0.75 0.00 0.00 -0.00 -0.52 -1.18 115.11 114.16 1dvv h GLN 72 Ca -0.00 -0.53 -0.07 0.00 -0.00 0.00 0.00 58.65 58.05 1dvv h GLN 72 Cb 0.41 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.96 1dvv h GLN 72 CO 0.01 1.15 -0.31 1.15 0.00 0.00 0.00 178.83 180.83 1dvv h THR 73 N 0.48 0.67 -0.17 2.39 2.02 -1.04 -2.15 112.91 115.11 1dvv h THR 73 Ca -0.01 -1.46 -0.19 0.00 0.77 0.00 0.00 66.41 65.52 1dvv h THR 73 Cb 1.18 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1dvv h THR 73 CO 0.12 0.31 -0.66 -0.07 0.37 0.00 0.00 175.52 175.59 1dvv h LEU 74 N 0.00 0.77 -0.01 2.58 3.38 -0.73 0.95 115.31 122.24 1dvv h LEU 74 Ca -0.00 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1dvv h LEU 74 Cb 0.94 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1dvv h LEU 74 CO 0.04 1.22 -0.03 0.00 0.09 0.00 0.00 178.44 179.76 1dvv h ALA 75 N 0.78 0.02 0.00 1.53 0.00 -1.06 -1.82 119.26 118.71 1dvv h ALA 75 Ca -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1dvv h ALA 75 Cb 1.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1dvv h ALA 75 CO 0.13 -0.16 -0.10 0.87 0.00 0.00 0.00 179.25 179.99 1dvv h LYS 76 N -0.53 0.00 0.09 0.00 1.57 -1.43 -2.48 116.57 113.79 1dvv h LYS 76 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dvv h LYS 76 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1dvv h LYS 76 CO 0.01 0.10 -0.04 2.35 -0.57 0.00 0.00 179.45 181.29 1dvv h TRP 77 N 0.00 -0.12 -0.29 -1.35 7.01 -0.60 0.98 115.95 121.58 1dvv h TRP 77 Ca -0.00 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.05 1dvv h TRP 77 Cb 0.26 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.31 1dvv h TRP 77 CO 0.00 0.35 -0.04 0.82 -2.79 0.00 0.00 178.44 176.78 1dvv h ILE 78 N -0.64 0.74 0.00 2.65 2.04 -0.98 0.48 117.51 121.80 1dvv h ILE 78 Ca -0.01 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1dvv h ILE 78 Cb 0.52 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1dvv h ILE 78 CO 0.02 0.01 0.00 -0.07 0.00 0.00 0.00 178.15 178.11 1dvv h LEU 79 N 0.03 0.00 -0.17 1.44 3.38 -1.49 -2.35 115.31 116.16 1dvv h LEU 79 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1dvv h LEU 79 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1dvv h LEU 79 CO -0.27 0.00 -0.58 -0.24 0.09 0.00 0.00 178.44 177.44 1dvv n SER 80 N -2.67 0.84 -4.50 -0.43 2.88 0.39 -4.89 113.62 105.24 1dvv n SER 80 Ca 0.02 -0.65 -0.33 0.00 -1.33 0.00 0.00 58.87 56.57 1dvv n SER 80 Cb 0.29 0.44 -0.18 0.00 -0.75 0.00 0.00 64.21 64.01 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 -1.23 0.03 -0.32 -1.46 1.13 0.14 -5.02 117.38 110.64 1dvv n GLN 81 Ca 0.07 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1dvv n GLN 81 Cb 0.35 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.32 1dvv n GLN 81 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25