#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvv n ASP 2 N 0.00 -1.64 0.28 1.62 8.00 -1.26 -4.72 116.55 118.83 1dvv n ASP 2 Ca 0.00 0.53 0.12 0.00 0.71 0.00 0.00 54.79 56.16 1dvv n ASP 2 Cb 0.00 -1.18 0.81 0.00 -0.02 0.00 0.00 41.12 40.72 1dvv n ASP 2 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1dvv h PRO 3 N -0.59 0.00 -0.37 -0.24 0.13 -1.99 -1.33 132.00 127.61 1dvv h PRO 3 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1dvv h PRO 3 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1dvv h PRO 3 CO 0.40 0.02 -0.32 1.49 -0.23 0.00 0.00 178.00 179.36 1dvv h GLU 4 N 0.00 0.82 0.02 0.86 4.81 -1.97 0.17 114.58 119.28 1dvv h GLU 4 Ca -0.00 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1dvv h GLU 4 Cb 0.04 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1dvv h GLU 4 CO 0.00 1.02 -0.01 0.28 -0.73 0.00 0.00 179.01 179.57 1dvv h VAL 5 N 0.69 1.09 0.00 0.32 2.07 -1.56 -2.14 116.25 116.72 1dvv h VAL 5 Ca 0.07 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1dvv h VAL 5 Cb 0.87 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1dvv h VAL 5 CO 0.08 0.08 -0.06 0.17 0.02 0.00 0.00 177.57 177.86 1dvv h LEU 6 N -0.15 0.00 -0.89 2.57 8.10 -1.47 -2.49 115.31 120.98 1dvv h LEU 6 Ca -0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 1dvv h LEU 6 Cb 0.15 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.34 1dvv h LEU 6 CO 0.00 0.06 0.03 0.00 -4.11 0.00 0.00 178.44 174.42 1dvv h ALA 7 N 1.94 1.08 0.17 0.17 0.00 -0.02 -1.91 119.26 120.70 1dvv h ALA 7 Ca -0.00 -0.26 -0.33 0.00 0.00 0.00 0.00 54.91 54.32 1dvv h ALA 7 Cb 0.65 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1dvv h ALA 7 CO 0.01 0.59 -1.59 0.87 0.00 0.00 0.00 179.25 179.12 1dvv h LYS 8 N 0.80 0.36 -0.53 0.00 1.57 -1.25 0.30 116.57 117.82 1dvv h LYS 8 Ca 0.16 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1dvv h LYS 8 Cb 0.43 0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1dvv h LYS 8 CO 0.02 1.26 0.34 -0.91 -0.57 0.00 0.00 179.45 179.59 1dvv h ASN 9 N 0.10 0.62 0.91 0.86 -0.26 -1.35 -1.73 115.58 114.73 1dvv h ASN 9 Ca -0.28 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 1dvv h ASN 9 Cb 2.08 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 39.18 1dvv h ASN 9 CO 0.19 0.46 -0.49 0.29 -1.06 0.00 0.00 177.43 176.82 1dvv n LYS 10 N -4.44 0.24 -0.22 0.81 4.76 -0.73 -4.92 118.16 113.66 1dvv n LYS 10 Ca 0.05 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1dvv n LYS 10 Cb 0.06 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 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 0.89 0.34 0.72 0.00 -0.65 -4.96 105.19 102.89 1dvv n GLY 11 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.30 1.06 0.02 0.00 2.81 -0.91 -2.49 117.12 113.31 1dvv n MET 13 Ca 0.07 -0.09 -0.21 0.00 -1.81 0.00 0.00 57.70 55.66 1dvv n MET 13 Cb 0.16 -1.34 -0.14 0.00 -0.71 0.00 0.00 33.22 31.19 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 3.71 0.12 0.00 3.04 0.00 -1.57 -3.38 119.26 121.18 1dvv h ALA 14 Ca 0.00 -1.02 -0.11 0.00 0.00 0.00 0.00 54.91 53.78 1dvv h ALA 14 Cb 0.04 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1dvv h ALA 14 CO 0.00 0.76 -1.94 0.00 0.00 0.00 0.00 179.25 178.07 1dvv n HIS 16 N -2.49 -2.00 -3.22 0.00 -0.00 -1.04 -1.00 115.22 105.48 1dvv n HIS 16 Ca -0.11 -1.18 -0.01 0.00 -0.00 0.00 0.00 57.72 56.42 1dvv n HIS 16 Cb 0.74 -0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 1dvv n HIS 16 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dvv n ALA 17 N -2.54 -0.32 -0.01 -1.41 0.00 -1.26 -4.75 120.51 110.22 1dvv n ALA 17 Ca -0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.16 1dvv n ALA 17 Cb 0.33 0.15 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 1dvv n ALA 17 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1dvv h ILE 18 N 1.16 0.00 0.00 0.00 1.08 -1.95 0.70 117.51 118.50 1dvv h ILE 18 Ca -0.05 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1dvv h ILE 18 Cb 0.20 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.95 1dvv h ILE 18 CO 0.07 0.00 -1.45 -0.67 -0.69 0.00 0.00 178.15 175.40 1dvv n ASP 19 N -2.41 2.43 -2.43 1.72 -0.08 -1.26 -0.50 116.55 114.01 1dvv n ASP 19 Ca -0.00 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1dvv n ASP 19 Cb 0.02 1.47 0.00 0.00 2.34 0.00 0.00 41.12 44.95 1dvv n ASP 19 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1dvv n THR 20 N -1.85 0.00 -3.26 5.18 -2.24 -1.26 -4.62 114.28 106.23 1dvv n THR 20 Ca -0.02 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1dvv n THR 20 Cb 0.28 -1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 67.24 1dvv n THR 20 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1dvv s LYS 21 N -2.88 0.77 0.00 -0.78 -2.85 -1.26 -2.16 119.74 110.57 1dvv s LYS 21 Ca 0.00 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 1dvv s LYS 21 Cb 0.00 -0.59 0.00 0.00 -2.06 0.00 0.00 37.83 35.18 1dvv s LYS 21 CO 0.00 -1.24 0.00 -1.33 0.10 0.00 0.00 175.35 172.88 1dvv n MET 22 N 3.90 0.00 0.04 1.78 2.81 -1.26 -4.78 117.12 119.61 1dvv n MET 22 Ca 0.15 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.97 1dvv n MET 22 Cb 0.49 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.88 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 -1.59 2.03 2.07 -1.38 -3.47 116.25 115.27 1dvv h VAL 23 Ca 0.00 -3.09 -0.62 0.00 0.82 0.00 0.00 66.70 63.81 1dvv h VAL 23 Cb 0.00 2.67 -0.13 0.00 -1.52 0.00 0.00 31.29 32.31 1dvv h VAL 23 CO 0.00 0.78 -0.59 -0.83 0.02 0.00 0.00 177.57 176.95 1dvv s GLY 24 N -4.82 2.55 0.44 2.17 0.00 -0.74 -5.02 107.32 101.90 1dvv s GLY 24 Ca -0.01 -1.96 -0.25 0.00 0.00 0.00 0.00 44.72 42.51 1dvv s GLY 24 CO 0.82 -2.08 1.29 -4.14 0.00 0.00 0.00 173.10 168.99 1dvv s PRO 25 N -3.75 3.76 1.00 2.90 0.02 -1.26 -4.58 135.00 133.08 1dvv s PRO 25 Ca 0.30 2.11 -0.18 0.00 0.02 0.00 0.00 61.00 63.25 1dvv s PRO 25 Cb 0.08 -2.59 -0.10 0.00 0.02 0.00 0.00 34.50 31.91 1dvv s PRO 25 CO 0.15 -0.65 -0.64 0.00 -0.33 0.00 0.00 177.00 175.53 1dvv n ALA 26 N -0.22 -4.87 0.03 -1.55 0.00 -0.92 -4.65 120.51 108.33 1dvv n ALA 26 Ca 0.06 -0.87 -0.03 0.00 0.00 0.00 0.00 53.44 52.60 1dvv n ALA 26 Cb 0.45 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.21 -0.16 -0.98 0.00 0.05 0.17 -2.60 116.97 112.24 1dvv h TYR 27 Ca -0.44 -0.00 0.21 0.00 0.05 0.00 0.00 58.73 58.55 1dvv h TYR 27 Cb 1.32 0.05 -0.09 0.00 1.01 0.00 0.00 36.73 39.02 1dvv h TYR 27 CO 0.20 -0.10 0.62 -0.22 -1.05 0.00 0.00 178.16 177.61 1dvv h LYS 28 N -0.98 0.57 -0.33 4.88 3.11 -1.23 0.93 116.57 123.52 1dvv h LYS 28 Ca -0.02 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 1dvv h LYS 28 Cb 0.13 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.22 1dvv h LYS 28 CO 0.03 0.38 0.17 -0.44 -2.81 0.00 0.00 179.45 176.78 1dvv h ASP 29 N 0.58 0.42 -0.95 4.20 5.19 -1.72 0.11 116.42 124.26 1dvv h ASP 29 Ca 0.55 -0.10 0.19 0.00 -0.62 0.00 0.00 57.03 57.04 1dvv h ASP 29 Cb 1.11 -0.11 -0.08 0.00 0.18 0.00 0.00 39.33 40.43 1dvv h ASP 29 CO -0.31 0.40 0.60 0.58 -3.12 0.00 0.00 179.24 177.40 1dvv h VAL 30 N 0.40 0.72 0.00 -1.35 2.07 -0.40 0.24 116.25 117.94 1dvv h VAL 30 Ca 0.11 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1dvv h VAL 30 Cb 0.08 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1dvv h VAL 30 CO -0.02 0.11 -0.60 0.00 0.02 0.00 0.00 177.57 177.09 1dvv h ALA 31 N 1.61 0.73 0.00 1.67 0.00 -1.09 -3.12 119.26 119.06 1dvv h ALA 31 Ca 0.51 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 1dvv h ALA 31 Cb 0.98 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1dvv h ALA 31 CO -0.26 0.15 -0.43 0.00 0.00 0.00 0.00 179.25 178.71 1dvv h ALA 32 N 1.89 0.91 0.03 0.00 0.00 0.21 0.42 119.26 122.73 1dvv h ALA 32 Ca -0.02 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 1dvv h ALA 32 Cb 1.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1dvv h ALA 32 CO 0.01 0.54 -1.11 -0.22 0.00 0.00 0.00 179.25 178.47 1dvv h LYS 33 N 0.00 0.07 0.00 0.00 1.63 -1.37 -3.34 116.57 113.56 1dvv h LYS 33 Ca -0.00 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1dvv h LYS 33 Cb 1.02 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1dvv h LYS 33 CO 0.06 1.06 0.00 0.66 -3.45 0.00 0.00 179.45 177.77 1dvv n TYR 34 N -4.30 0.59 -1.32 1.91 4.01 -1.18 -4.81 117.16 112.06 1dvv n TYR 34 Ca -0.26 0.19 -0.56 0.00 -0.16 0.00 0.00 57.90 57.10 1dvv n TYR 34 Cb 0.71 -0.80 -0.11 0.00 -0.31 0.00 0.00 39.34 38.83 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 -1.69 0.46 0.00 -0.72 0.00 0.14 -2.99 120.51 115.72 1dvv n ALA 35 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1dvv n ALA 35 Cb 0.34 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 7.18 1.20 3.22 0.00 0.00 -1.26 -5.03 105.19 110.49 1dvv n GLY 36 Ca 0.52 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.29 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 1.31 -0.42 1.61 -0.21 -1.16 -5.03 119.66 115.75 1dvv s GLN 37 Ca 0.00 -0.86 -0.03 0.00 0.02 0.00 0.00 55.36 54.49 1dvv s GLN 37 Cb 0.00 -1.38 0.10 0.00 1.00 0.00 0.00 33.01 32.73 1dvv s GLN 37 CO 0.00 0.35 2.61 0.00 -2.12 0.00 0.00 175.29 176.14 1dvv n ALA 38 N 1.97 6.16 0.00 6.09 0.00 -1.26 -4.24 120.51 129.23 1dvv n ALA 38 Ca -0.17 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.54 1dvv n ALA 38 Cb 0.54 -1.97 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 0.76 0.00 0.07 0.00 0.00 -1.26 -5.04 105.19 99.72 1dvv n GLY 39 Ca 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.37 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 0.31 0.00 4.61 0.00 -1.95 -3.18 119.26 119.05 1dvv h ALA 40 Ca 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 53.94 1dvv h ALA 40 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1dvv h ALA 40 CO 0.00 1.20 -0.12 1.49 0.00 0.00 0.00 179.25 181.82 1dvv h GLU 41 N 0.02 0.00 0.17 0.00 4.81 -1.92 -1.34 114.58 116.31 1dvv h GLU 41 Ca -0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1dvv h GLU 41 Cb 1.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.22 1dvv h GLU 41 CO 0.15 0.12 -0.08 0.00 -0.73 0.00 0.00 179.01 178.46 1dvv h ALA 42 N 1.88 -0.23 0.00 2.92 0.00 -1.97 -1.35 119.26 120.52 1dvv h ALA 42 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1dvv h ALA 42 Cb 0.49 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1dvv h ALA 42 CO 0.02 -0.39 -0.21 -0.92 0.00 0.00 0.00 179.25 177.74 1dvv h TYR 43 N -0.70 0.00 -0.10 0.00 5.03 -1.61 -1.58 116.97 118.01 1dvv h TYR 43 Ca -0.02 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.17 1dvv h TYR 43 Cb 0.50 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 1dvv h TYR 43 CO 0.06 0.21 -0.46 -0.07 -1.32 0.00 0.00 178.16 176.59 1dvv h LEU 44 N 0.00 0.26 -0.54 2.82 3.38 -1.13 -1.38 115.31 118.72 1dvv h LEU 44 Ca -0.00 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 1dvv h LEU 44 Cb 0.60 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1dvv h LEU 44 CO 0.03 0.68 -0.62 0.00 0.09 0.00 0.00 178.44 178.62 1dvv h ALA 45 N 1.33 0.73 -0.08 1.53 0.00 -0.25 -1.07 119.26 121.44 1dvv h ALA 45 Ca 0.01 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 1dvv h ALA 45 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1dvv h ALA 45 CO 0.07 0.72 -0.83 0.37 0.00 0.00 0.00 179.25 179.59 1dvv h GLN 46 N 0.29 0.57 0.00 0.00 4.15 -1.13 -2.60 115.11 116.39 1dvv h GLN 46 Ca -0.01 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1dvv h GLN 46 Cb 1.16 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1dvv h GLN 46 CO 0.11 1.13 0.00 0.00 -1.93 0.00 0.00 178.83 178.14 1dvv h ARG 47 N 0.37 0.00 0.15 1.69 2.47 -1.23 -2.81 114.38 115.01 1dvv h ARG 47 Ca -0.06 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.37 1dvv h ARG 47 Cb 1.44 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.77 1dvv h ARG 47 CO 0.15 0.00 -1.32 0.82 0.56 0.00 0.00 179.97 180.19 1dvv h ILE 48 N 0.00 1.43 0.02 2.04 2.04 -1.08 0.95 117.51 122.90 1dvv h ILE 48 Ca 0.00 -2.97 -0.20 0.00 1.00 0.00 0.00 64.86 62.68 1dvv h ILE 48 Cb 0.84 2.95 -0.02 0.00 -0.74 0.00 0.00 36.82 39.85 1dvv h ILE 48 CO 0.00 0.87 -0.95 0.50 0.00 0.00 0.00 178.15 178.58 1dvv h LYS 49 N 0.09 0.07 -0.01 2.37 3.64 -1.45 -3.30 116.57 117.97 1dvv h LYS 49 Ca -0.17 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1dvv h LYS 49 Cb 2.02 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 1dvv h LYS 49 CO 0.22 0.96 -0.24 0.09 -2.27 0.00 0.00 179.45 178.21 1dvv n ASN 50 N -3.50 1.39 -1.37 4.20 3.02 -1.07 -2.59 115.26 115.34 1dvv n ASN 50 Ca -0.02 -1.19 0.17 0.00 -0.03 0.00 0.00 54.58 53.50 1dvv n ASN 50 Cb 0.88 0.45 -0.07 0.00 -0.61 0.00 0.00 39.78 40.42 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 0.97 -2.62 0.00 7.41 0.00 0.33 -3.71 105.19 107.56 1dvv n GLY 51 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.30 0.00 -2.38 1.61 7.64 -0.08 -4.75 113.62 111.36 1dvv n SER 52 Ca -0.05 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.79 1dvv n SER 52 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.27 1.32 -1.35 1.43 0.00 -1.26 -1.28 117.38 115.97 1dvv n GLN 53 Ca 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 57.00 56.45 1dvv n GLN 53 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 30.24 30.23 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 4.12 1.10 0.13 2.61 0.00 -1.25 -4.90 105.19 107.00 1dvv n GLY 54 Ca 0.00 -0.56 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 -2.78 0.00 -0.06 1.61 0.31 -1.26 -4.93 118.33 111.22 1dvv n VAL 55 Ca -0.10 0.40 -0.09 0.00 -0.01 0.00 0.00 64.34 64.53 1dvv n VAL 55 Cb 0.35 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 31.83 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 -2.42 0.00 -2.83 3.52 7.02 -1.26 -5.10 117.44 116.37 1dvv n TRP 56 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1dvv n TRP 56 Cb 0.00 -0.47 0.00 0.00 -2.42 0.00 0.00 31.31 28.42 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 2.84 2.44 0.07 6.99 0.00 -1.26 -5.00 105.19 111.28 1dvv n GLY 57 Ca -0.22 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 0.53 -3.46 1.61 -0.05 -1.26 -3.87 135.00 128.51 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 0.00 -1.04 -0.04 0.00 -0.05 0.00 0.00 33.50 32.37 1dvv n PRO 58 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1dvv n ILE 59 N -0.40 3.65 -1.71 0.52 5.41 -1.26 -4.99 119.36 120.58 1dvv n ILE 59 Ca 0.00 -5.32 -0.43 0.00 1.00 0.00 0.00 62.75 58.01 1dvv n ILE 59 Cb 0.02 -2.35 -0.01 0.00 -0.71 0.00 0.00 39.64 36.59 1dvv n ILE 59 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1dvv n PRO 60 N 2.07 2.23 -2.29 0.38 -0.01 -1.26 -4.89 135.00 131.22 1dvv n PRO 60 Ca 0.24 0.78 -0.42 0.00 -0.01 0.00 0.00 63.50 64.09 1dvv n PRO 60 Cb 0.37 -2.41 -0.03 0.00 -0.01 0.00 0.00 33.50 31.42 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 -1.64 4.42 0.22 -0.52 1.75 -0.40 -4.69 119.30 118.44 1dvv s MET 61 Ca 0.57 1.95 -0.30 0.00 -1.25 0.00 0.00 55.69 56.66 1dvv s MET 61 Cb -0.56 -3.24 -0.09 0.00 2.84 0.00 0.00 34.83 33.77 1dvv s MET 61 CO 0.60 -0.24 1.37 -1.25 -0.65 0.00 0.00 175.02 174.86 1dvv s PRO 62 N 0.27 4.33 0.31 4.11 0.05 -1.26 -0.90 135.00 141.91 1dvv s PRO 62 Ca 0.57 2.17 -0.30 0.00 0.05 0.00 0.00 61.00 63.49 1dvv s PRO 62 Cb -0.34 -3.16 -0.12 0.00 0.05 0.00 0.00 34.50 30.94 1dvv s PRO 62 CO 0.35 -0.33 1.56 -0.35 0.05 0.00 0.00 177.00 178.28 1dvv n PRO 63 N 2.51 2.65 -4.12 0.56 -0.04 -1.24 -4.45 135.00 130.87 1dvv n PRO 63 Ca 0.06 0.94 -0.25 0.00 -0.04 0.00 0.00 63.50 64.22 1dvv n PRO 63 Cb 0.42 -2.70 -0.07 0.00 -0.04 0.00 0.00 33.50 31.10 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 0.36 4.44 -0.44 3.54 0.01 -1.07 -4.88 114.94 116.90 1dvv s ASN 64 Ca 0.62 -1.09 0.01 0.00 -0.71 0.00 0.00 52.86 51.69 1dvv s ASN 64 Cb -0.50 -0.43 0.44 0.00 0.41 0.00 0.00 41.25 41.17 1dvv s ASN 64 CO 0.52 -0.57 1.88 0.00 -1.51 0.00 0.00 177.10 177.41 1dvv n ALA 65 N -1.26 5.41 -2.53 0.60 0.00 -1.26 -4.65 120.51 116.81 1dvv n ALA 65 Ca -0.01 -2.52 -0.43 0.00 0.00 0.00 0.00 53.44 50.47 1dvv n ALA 65 Cb 0.65 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.21 4.28 0.66 0.00 -7.23 -1.26 -5.01 120.40 108.63 1dvv s VAL 66 Ca 0.48 1.43 -0.09 0.00 -1.81 0.00 0.00 61.98 62.00 1dvv s VAL 66 Cb 0.39 -4.34 0.13 0.00 0.56 0.00 0.00 36.38 33.12 1dvv s VAL 66 CO 0.04 -0.59 0.30 -0.24 -0.31 0.00 0.00 175.10 174.30 1dvv n SER 67 N 7.43 -2.43 -0.07 4.85 2.88 -1.26 -4.34 113.62 120.68 1dvv n SER 67 Ca 0.13 -0.30 -0.14 0.00 -1.33 0.00 0.00 58.87 57.22 1dvv n SER 67 Cb 0.47 -0.49 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 1dvv n SER 67 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1dvv h ASP 68 N -2.41 0.78 -0.20 -3.46 3.32 -1.98 -1.53 116.42 110.95 1dvv h ASP 68 Ca -0.14 -0.53 -0.08 0.00 0.02 0.00 0.00 57.03 56.30 1dvv h ASP 68 Cb 0.46 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1dvv h ASP 68 CO 0.08 1.17 -0.13 0.44 -1.72 0.00 0.00 179.24 179.08 1dvv h ASP 69 N 0.43 0.57 -0.17 6.45 3.32 -1.99 0.08 116.42 125.12 1dvv h ASP 69 Ca 0.02 -0.16 -0.20 0.00 0.02 0.00 0.00 57.03 56.71 1dvv h ASP 69 Cb 1.02 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.42 1dvv h ASP 69 CO 0.09 0.73 -0.67 -0.33 -1.72 0.00 0.00 179.24 177.34 1dvv h GLU 70 N 0.54 0.76 0.00 3.56 5.08 -1.85 -1.84 114.58 120.83 1dvv h GLU 70 Ca 0.09 -0.59 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1dvv h GLU 70 Cb 0.54 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1dvv h GLU 70 CO 0.03 1.20 -0.11 0.00 -1.00 0.00 0.00 179.01 179.13 1dvv h ALA 71 N 0.56 0.98 0.08 3.43 0.00 -1.12 0.06 119.26 123.24 1dvv h ALA 71 Ca -0.04 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1dvv h ALA 71 Cb 1.30 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.09 1dvv h ALA 71 CO 0.14 0.14 -0.83 0.37 0.00 0.00 0.00 179.25 179.07 1dvv h GLN 72 N 0.00 0.42 0.00 0.00 4.15 -0.85 -1.63 115.11 117.21 1dvv h GLN 72 Ca -0.00 -0.56 -0.06 0.00 0.77 0.00 0.00 58.65 58.80 1dvv h GLN 72 Cb 0.77 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 1dvv h GLN 72 CO 0.01 1.22 -0.29 1.15 -1.93 0.00 0.00 178.83 179.00 1dvv h THR 73 N -0.11 0.66 -0.08 2.39 2.02 -1.24 -1.98 112.91 114.57 1dvv h THR 73 Ca -0.13 -1.35 -0.08 0.00 0.77 0.00 0.00 66.41 65.63 1dvv h THR 73 Cb 1.58 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1dvv h THR 73 CO 0.16 0.28 -0.26 -0.07 0.37 0.00 0.00 175.52 176.00 1dvv h LEU 74 N 0.00 0.37 -0.53 2.58 3.38 -0.94 0.15 115.31 120.32 1dvv h LEU 74 Ca -0.00 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.31 1dvv h LEU 74 Cb 0.87 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1dvv h LEU 74 CO 0.04 0.92 0.15 0.00 0.09 0.00 0.00 178.44 179.64 1dvv h ALA 75 N 0.46 0.69 0.00 1.53 0.00 -1.20 -1.20 119.26 119.55 1dvv h ALA 75 Ca -0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1dvv h ALA 75 Cb 0.89 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1dvv h ALA 75 CO 0.06 0.36 -0.31 0.87 0.00 0.00 0.00 179.25 180.23 1dvv h LYS 76 N 0.73 0.00 -0.30 0.00 1.79 -1.37 -2.63 116.57 114.79 1dvv h LYS 76 Ca 0.17 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.54 1dvv h LYS 76 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1dvv h LYS 76 CO -0.00 0.31 -0.21 2.35 -1.08 0.00 0.00 179.45 180.82 1dvv h TRP 77 N 0.00 0.79 -0.57 -1.35 7.01 0.15 0.26 115.95 122.25 1dvv h TRP 77 Ca -0.00 -0.22 -0.02 0.00 2.11 0.00 0.00 58.89 60.76 1dvv h TRP 77 Cb 0.72 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.57 1dvv h TRP 77 CO 0.00 0.93 0.29 0.82 -2.79 0.00 0.00 178.44 177.69 1dvv h ILE 78 N 0.43 1.20 0.00 2.65 2.04 -1.01 -0.44 117.51 122.38 1dvv h ILE 78 Ca 0.06 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1dvv h ILE 78 Cb 0.76 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1dvv h ILE 78 CO 0.06 0.22 0.00 0.18 0.00 0.00 0.00 178.15 178.61 1dvv n LEU 79 N -4.57 0.65 0.04 1.44 4.77 -1.01 -2.94 117.00 115.39 1dvv n LEU 79 Ca 0.03 0.60 -0.10 0.00 -0.03 0.00 0.00 56.01 56.51 1dvv n LEU 79 Cb 0.11 -0.44 -0.13 0.00 -2.33 0.00 0.00 43.42 40.62 1dvv n LEU 79 CO 0.37 -0.32 -0.15 -1.28 -1.33 0.00 0.00 177.39 174.68 1dvv h SER 80 N 0.00 0.12 -3.40 -1.43 0.87 0.11 -3.47 113.55 106.35 1dvv h SER 80 Ca 0.00 -0.16 -0.54 0.00 -1.23 0.00 0.00 61.79 59.86 1dvv h SER 80 Cb 0.55 -0.04 0.20 0.00 -0.44 0.00 0.00 62.40 62.67 1dvv h SER 80 CO 0.00 1.13 -0.46 0.00 -0.53 0.00 0.00 176.83 176.97 1dvv n GLN 81 N -3.31 -0.09 0.00 2.24 1.13 -0.40 -5.06 117.38 111.89 1dvv n GLN 81 Ca -0.09 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1dvv n GLN 81 Cb 1.00 -1.89 0.00 0.00 0.11 0.00 0.00 30.24 29.46 1dvv n GLN 81 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79