#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gh1 s ASP 2 N 0.00 7.13 -1.25 9.51 1.01 -1.26 -4.81 116.67 127.00 1gh1 s ASP 2 Ca 0.00 1.56 -0.15 0.00 0.71 0.00 0.00 52.55 54.67 1gh1 s ASP 2 Cb 0.00 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1gh1 s ASP 2 CO 0.00 -0.04 2.24 0.00 0.21 0.00 0.00 175.17 177.58 1gh1 n GLY 4 N 4.12 -0.49 0.08 0.00 0.00 -1.26 -4.26 105.19 103.37 1gh1 n GLY 4 Ca 0.54 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1gh1 n GLY 4 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1gh1 h HIS 5 N -0.97 0.06 -0.78 1.61 6.17 -2.02 -3.33 115.15 115.89 1gh1 h HIS 5 Ca -0.25 -0.04 0.03 0.00 0.71 0.00 0.00 60.37 60.81 1gh1 h HIS 5 Cb 1.20 -0.00 -0.04 0.00 2.52 0.00 0.00 27.41 31.08 1gh1 h HIS 5 CO -0.30 1.07 0.51 0.28 0.71 0.00 0.00 177.93 180.20 1gh1 h VAL 6 N 0.01 1.14 -0.52 5.26 2.07 -1.83 -2.32 116.25 120.07 1gh1 h VAL 6 Ca -0.21 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.07 1gh1 h VAL 6 Cb 1.95 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 1gh1 h VAL 6 CO 0.10 0.18 0.07 -0.78 0.02 0.00 0.00 177.57 177.16 1gh1 h ASP 7 N 0.98 -0.08 1.05 0.57 3.58 -1.74 0.35 116.42 121.13 1gh1 h ASP 7 Ca 0.30 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1gh1 h ASP 7 Cb 0.01 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1gh1 h ASP 7 CO -0.08 -0.01 -0.06 -0.24 -2.88 0.00 0.00 179.24 175.96 1gh1 n SER 8 N -5.16 0.23 0.04 2.28 2.88 -1.01 -2.38 113.62 110.50 1gh1 n SER 8 Ca 0.06 0.44 -0.14 0.00 -1.33 0.00 0.00 58.87 57.90 1gh1 n SER 8 Cb 0.27 -0.48 -0.14 0.00 -0.75 0.00 0.00 64.21 63.11 1gh1 n SER 8 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1gh1 h LEU 9 N 0.00 0.26 0.00 2.46 3.38 -0.46 -3.35 115.31 117.59 1gh1 h LEU 9 Ca 0.00 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 1gh1 h LEU 9 Cb 0.56 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1gh1 h LEU 9 CO 0.00 1.33 -1.09 -0.37 0.09 0.00 0.00 178.44 178.40 1gh1 h VAL 10 N 0.04 0.39 -0.41 1.22 -1.51 -1.17 -3.38 116.25 111.43 1gh1 h VAL 10 Ca -0.24 -1.70 0.06 0.00 -1.23 0.00 0.00 66.70 63.59 1gh1 h VAL 10 Cb 1.99 1.94 -0.05 0.00 -2.13 0.00 0.00 31.29 33.04 1gh1 h VAL 10 CO 0.13 0.22 0.12 0.03 -1.23 0.00 0.00 177.57 176.84 1gh1 h ARG 11 N 0.00 0.25 -0.64 5.19 -0.00 -1.61 -2.45 114.38 115.13 1gh1 h ARG 11 Ca -0.09 -0.02 0.10 0.00 -0.50 0.00 0.00 59.98 59.47 1gh1 h ARG 11 Cb 1.37 -0.06 -0.04 0.00 0.00 0.00 0.00 29.97 31.24 1gh1 h ARG 11 CO 0.03 0.17 0.43 -1.00 0.00 0.00 0.00 179.97 179.60 1gh1 h PRO 12 N 0.26 0.47 0.00 0.04 0.13 -1.74 -2.25 132.00 128.91 1gh1 h PRO 12 Ca 0.19 -0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 65.11 1gh1 h PRO 12 Cb 0.21 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.20 1gh1 h PRO 12 CO -0.22 0.31 -0.92 0.00 -0.23 0.00 0.00 178.00 176.93 1gh1 h LEU 14 N 0.00 0.23 -2.13 0.00 6.46 -0.96 -2.68 115.31 116.23 1gh1 h LEU 14 Ca -0.02 -0.06 0.05 0.00 -0.12 0.00 0.00 57.88 57.74 1gh1 h LEU 14 Cb 1.69 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.55 1gh1 h LEU 14 CO 0.11 0.43 0.31 0.77 -0.62 0.00 0.00 178.44 179.44 1gh1 h SER 15 N 0.22 0.00 0.03 1.25 4.64 -1.52 -2.27 113.55 115.90 1gh1 h SER 15 Ca 0.04 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.01 1gh1 h SER 15 Cb 0.46 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 1gh1 h SER 15 CO 0.03 0.00 -1.97 0.00 -0.87 0.00 0.00 176.83 174.02 1gh1 n TYR 16 N -3.44 0.65 -0.24 4.77 9.36 -1.02 -4.04 117.16 123.20 1gh1 n TYR 16 Ca 0.02 0.21 0.23 0.00 3.32 0.00 0.00 57.90 61.68 1gh1 n TYR 16 Cb 0.42 -1.07 0.58 0.00 -0.63 0.00 0.00 39.34 38.63 1gh1 n TYR 16 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1gh1 h VAL 17 N -0.58 0.62 0.00 2.97 2.07 -1.35 0.82 116.25 120.80 1gh1 h VAL 17 Ca -0.50 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1gh1 h VAL 17 Cb 1.66 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1gh1 h VAL 17 CO -0.18 0.05 -0.05 0.06 0.02 0.00 0.00 177.57 177.48 1gh1 h GLN 18 N 0.28 0.00 0.00 1.57 3.07 -1.61 -2.65 115.11 115.77 1gh1 h GLN 18 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.22 1gh1 h GLN 18 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.95 1gh1 h GLN 18 CO -0.14 0.05 0.00 0.41 0.09 0.00 0.00 178.83 179.23 1gh1 n GLY 19 N -1.22 1.31 0.73 0.06 0.00 0.28 -4.75 105.19 101.60 1gh1 n GLY 19 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1gh1 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gh1 n GLY 20 N -0.15 3.91 3.74 -0.02 0.00 -1.22 -5.10 105.19 106.36 1gh1 n GLY 20 Ca 0.00 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1gh1 n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gh1 s PRO 21 N -2.34 4.43 0.00 1.61 0.04 -1.26 -4.64 135.00 132.84 1gh1 s PRO 21 Ca 0.05 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1gh1 s PRO 21 Cb 0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1gh1 s PRO 21 CO 0.03 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1gh1 n GLY 22 N 2.11 -0.50 0.17 0.56 0.00 -1.26 -4.62 105.19 101.65 1gh1 n GLY 22 Ca 0.05 -1.14 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 1gh1 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gh1 h PRO 23 N 0.00 -0.37 0.00 1.61 0.13 -1.87 -3.46 132.00 128.04 1gh1 h PRO 23 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1gh1 h PRO 23 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1gh1 h PRO 23 CO 0.00 -0.25 0.00 -1.13 -0.23 0.00 0.00 178.00 176.39 1gh1 n SER 24 N -4.13 0.00 0.00 1.44 3.41 -1.26 -4.73 113.62 108.35 1gh1 n SER 24 Ca -0.05 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.63 1gh1 n SER 24 Cb 0.15 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.39 1gh1 n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gh1 n GLY 25 N -0.54 -0.91 0.03 5.00 0.00 -1.26 -1.67 105.19 105.84 1gh1 n GLY 25 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1gh1 n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gh1 n GLN 26 N -1.46 0.42 -0.27 1.61 6.02 -1.26 -4.04 117.38 118.40 1gh1 n GLN 26 Ca 0.04 -0.06 -0.02 0.00 -0.01 0.00 0.00 57.00 56.95 1gh1 n GLN 26 Cb 0.14 -1.58 0.10 0.00 1.02 0.00 0.00 30.24 29.93 1gh1 n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gh1 h ASP 29 N -1.04 0.23 0.16 0.00 1.82 -1.69 0.42 116.42 116.32 1gh1 h ASP 29 Ca -0.02 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1gh1 h ASP 29 Cb 0.27 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 1gh1 h ASP 29 CO 0.04 0.18 -0.12 1.23 -1.61 0.00 0.00 179.24 178.95 1gh1 h GLY 30 N 0.35 -0.28 1.24 -0.78 0.00 0.20 -1.69 103.07 102.11 1gh1 h GLY 30 Ca 0.16 0.14 -0.26 0.00 0.00 0.00 0.00 47.33 47.37 1gh1 h GLY 30 CO -0.13 -0.13 -1.03 -2.08 0.00 0.00 0.00 176.54 173.18 1gh1 h VAL 31 N -0.29 1.29 -0.65 4.60 2.07 -1.16 -2.50 116.25 119.61 1gh1 h VAL 31 Ca -0.01 -2.25 0.12 0.00 0.82 0.00 0.00 66.70 65.39 1gh1 h VAL 31 Cb 0.26 2.37 -0.09 0.00 -1.52 0.00 0.00 31.29 32.30 1gh1 h VAL 31 CO -0.01 0.70 0.17 0.50 0.02 0.00 0.00 177.57 178.94 1gh1 h LYS 32 N 0.39 0.29 0.28 1.57 3.64 -0.11 0.15 116.57 122.78 1gh1 h LYS 32 Ca -0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1gh1 h LYS 32 Cb 1.68 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 1gh1 h LYS 32 CO 0.20 0.19 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.53 1gh1 h ASN 33 N 0.30 -0.31 -0.20 4.20 2.35 -1.29 -2.37 115.58 118.25 1gh1 h ASN 33 Ca 0.35 -0.08 0.06 0.00 -0.55 0.00 0.00 56.30 56.07 1gh1 h ASN 33 Cb 0.53 0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.91 1gh1 h ASN 33 CO -0.42 -0.11 -0.29 0.25 -1.65 0.00 0.00 177.43 175.21 1gh1 h LEU 34 N -0.50 -0.93 -0.18 1.61 5.85 -0.79 -0.01 115.31 120.35 1gh1 h LEU 34 Ca -0.04 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1gh1 h LEU 34 Cb 0.38 0.41 -0.07 0.00 0.37 0.00 0.00 40.66 41.75 1gh1 h LEU 34 CO 0.06 -0.33 -0.39 -0.74 -0.34 0.00 0.00 178.44 176.70 1gh1 h HIS 35 N -0.33 -1.12 -0.33 1.25 2.76 -0.72 0.70 115.15 117.36 1gh1 h HIS 35 Ca 0.12 0.05 0.09 0.00 -2.20 0.00 0.00 60.37 58.43 1gh1 h HIS 35 Cb 0.52 0.52 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 1gh1 h HIS 35 CO -0.42 -0.45 0.24 -0.97 -1.30 0.00 0.00 177.93 175.03 1gh1 h ASN 36 N -0.44 0.02 1.00 3.26 -1.24 -0.87 -0.34 115.58 116.98 1gh1 h ASN 36 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1gh1 h ASN 36 Cb 0.60 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 1gh1 h ASN 36 CO -0.42 0.01 0.00 -0.61 -1.29 0.00 0.00 177.43 175.13 1gh1 h GLN 37 N 0.03 0.00 -5.71 6.67 4.15 0.11 -3.38 115.11 116.97 1gh1 h GLN 37 Ca 0.16 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 59.08 1gh1 h GLN 37 Cb 0.60 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.23 1gh1 h GLN 37 CO -0.01 0.00 1.54 0.00 -1.93 0.00 0.00 178.83 178.44 1gh1 s ALA 38 N -3.68 2.49 -0.11 3.38 0.00 -0.14 -4.58 121.76 119.13 1gh1 s ALA 38 Ca 0.01 -2.42 0.16 0.00 0.00 0.00 0.00 51.96 49.71 1gh1 s ALA 38 Cb 0.09 -4.64 -0.21 0.00 0.00 0.00 0.00 23.12 18.36 1gh1 s ALA 38 CO 0.54 -4.25 0.56 -2.13 0.00 0.00 0.00 175.76 170.48 1gh1 n ARG 39 N 8.44 0.64 -4.27 0.00 0.63 -1.26 -4.80 116.66 116.05 1gh1 n ARG 39 Ca 0.45 0.17 -0.27 0.00 -0.92 0.00 0.00 57.85 57.28 1gh1 n ARG 39 Cb 0.47 -1.71 -0.09 0.00 0.45 0.00 0.00 32.46 31.58 1gh1 n ARG 39 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1gh1 s SER 40 N -5.74 4.36 0.29 6.15 0.15 -1.26 -5.01 113.70 112.65 1gh1 s SER 40 Ca -0.06 -0.53 0.04 0.00 0.70 0.00 0.00 55.95 56.10 1gh1 s SER 40 Cb 0.08 -0.79 0.75 0.00 -1.71 0.00 0.00 66.02 64.36 1gh1 s SER 40 CO 0.83 0.10 1.69 1.56 1.20 0.00 0.00 173.24 178.62 1gh1 h GLN 41 N 2.89 0.36 -0.31 5.44 1.08 -2.01 0.69 115.11 123.25 1gh1 h GLN 41 Ca -0.47 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 56.61 1gh1 h GLN 41 Cb 1.20 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 1gh1 h GLN 41 CO 0.55 0.24 -0.24 0.66 -0.95 0.00 0.00 178.83 179.09 1gh1 h SER 42 N 0.37 0.61 -0.70 1.46 4.64 -1.99 -2.39 113.55 115.56 1gh1 h SER 42 Ca 0.57 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.64 1gh1 h SER 42 Cb 1.11 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 1gh1 h SER 42 CO -0.55 0.84 0.27 0.44 -0.87 0.00 0.00 176.83 176.97 1gh1 h ASP 43 N 0.53 0.97 0.08 4.97 3.32 -1.23 -0.83 116.42 124.22 1gh1 h ASP 43 Ca 0.08 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1gh1 h ASP 43 Cb 0.70 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1gh1 h ASP 43 CO 0.05 0.88 -0.04 -0.09 -1.72 0.00 0.00 179.24 178.32 1gh1 h ARG 44 N 1.00 -0.10 -0.89 3.56 2.43 -1.49 -3.08 114.38 115.81 1gh1 h ARG 44 Ca 0.23 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.60 1gh1 h ARG 44 Cb 0.22 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 29.68 1gh1 h ARG 44 CO -0.02 0.44 0.44 1.96 -1.51 0.00 0.00 179.97 181.28 1gh1 h GLN 45 N -0.74 0.50 0.51 0.20 4.20 -1.36 0.13 115.11 118.56 1gh1 h GLN 45 Ca -0.01 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1gh1 h GLN 45 Cb 0.58 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1gh1 h GLN 45 CO 0.02 0.33 -0.31 0.77 -0.67 0.00 0.00 178.83 178.97 1gh1 h SER 46 N 0.51 -0.77 -0.65 1.46 0.02 -1.14 -1.61 113.55 111.37 1gh1 h SER 46 Ca 0.53 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.63 1gh1 h SER 46 Cb 0.92 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1gh1 h SER 46 CO -0.46 -0.48 0.44 0.00 -1.14 0.00 0.00 176.83 175.19 1gh1 h ALA 47 N -1.47 2.01 -0.86 3.77 0.00 -1.35 -0.12 119.26 121.23 1gh1 h ALA 47 Ca -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1gh1 h ALA 47 Cb 0.61 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1gh1 h ALA 47 CO 0.07 -0.16 0.56 0.00 0.00 0.00 0.00 179.25 179.72 1gh1 h ASN 49 N 1.17 0.78 -0.06 0.00 -0.73 -0.02 -1.96 115.58 114.77 1gh1 h ASN 49 Ca 0.31 -0.21 0.02 0.00 1.87 0.00 0.00 56.30 58.29 1gh1 h ASN 49 Cb -0.12 -0.21 -0.05 0.00 0.27 0.00 0.00 38.32 38.21 1gh1 h ASN 49 CO -0.07 0.88 -0.44 0.00 -0.37 0.00 0.00 177.43 177.43 1gh1 h LEU 51 N -0.51 -0.19 0.12 0.00 3.38 -1.48 -1.43 115.31 115.19 1gh1 h LEU 51 Ca 0.02 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1gh1 h LEU 51 Cb 0.57 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1gh1 h LEU 51 CO -0.33 -0.10 -0.35 0.50 0.09 0.00 0.00 178.44 178.26 1gh1 h LYS 52 N -0.11 -0.55 -0.73 1.13 3.11 -1.03 0.34 116.57 118.73 1gh1 h LYS 52 Ca 0.03 0.04 0.08 0.00 -2.81 0.00 0.00 60.65 57.99 1gh1 h LYS 52 Cb 0.15 0.13 -0.05 0.00 -1.00 0.00 0.00 32.23 31.46 1gh1 h LYS 52 CO -0.08 -0.37 0.48 0.78 -2.81 0.00 0.00 179.45 177.45 1gh1 h GLY 53 N -0.57 0.94 0.21 5.01 0.00 -0.36 -1.63 103.07 106.67 1gh1 h GLY 53 Ca 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1gh1 h GLY 53 CO -0.21 0.19 -0.10 -2.22 0.00 0.00 0.00 176.54 174.20 1gh1 h ILE 54 N 0.70 0.00 -1.04 2.60 2.04 -0.42 -3.31 117.51 118.09 1gh1 h ILE 54 Ca 0.33 -0.34 0.33 0.00 1.00 0.00 0.00 64.86 66.17 1gh1 h ILE 54 Cb 0.36 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.30 1gh1 h ILE 54 CO -0.11 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.65 1gh1 h ALA 55 N -1.53 2.06 -0.61 1.87 0.00 -0.28 0.30 119.26 121.07 1gh1 h ALA 55 Ca -0.03 0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.22 1gh1 h ALA 55 Cb 0.22 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1gh1 h ALA 55 CO 0.05 -0.66 0.43 -0.09 0.00 0.00 0.00 179.25 178.98 1gh1 h ARG 56 N 0.31 0.05 0.00 0.00 1.12 -1.38 0.87 114.38 115.35 1gh1 h ARG 56 Ca 0.73 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.60 1gh1 h ARG 56 Cb 1.75 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.70 1gh1 h ARG 56 CO -0.56 0.03 -0.26 0.78 -3.11 0.00 0.00 179.97 176.85 1gh1 h GLY 57 N 0.05 0.00 0.50 2.80 0.00 -0.51 -3.31 103.07 102.60 1gh1 h GLY 57 Ca 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.53 1gh1 h GLY 57 CO -0.02 0.00 -0.34 -2.22 0.00 0.00 0.00 176.54 173.96 1gh1 h ILE 58 N 0.00 1.54 0.00 2.60 2.04 -0.84 -3.47 117.51 119.39 1gh1 h ILE 58 Ca 0.00 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.82 1gh1 h ILE 58 Cb 0.85 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.75 1gh1 h ILE 58 CO 0.00 0.57 0.00 1.57 0.00 0.00 0.00 178.15 180.29 1gh1 n HIS 59 N -4.43 0.00 -1.70 1.37 -0.00 -1.13 -4.38 115.22 104.95 1gh1 n HIS 59 Ca -0.10 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.27 1gh1 n HIS 59 Cb 0.56 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.57 1gh1 n HIS 59 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1gh1 n ASN 60 N 1.61 7.23 -3.66 0.26 0.23 -1.26 -4.99 115.26 114.67 1gh1 n ASN 60 Ca 0.00 -3.63 -0.30 0.00 -0.53 0.00 0.00 54.58 50.12 1gh1 n ASN 60 Cb 0.00 -1.10 0.25 0.00 -2.08 0.00 0.00 39.78 36.85 1gh1 n ASN 60 CO 0.00 0.00 0.00 -1.48 -0.93 0.00 0.00 177.26 174.85 1gh1 s LEU 61 N -3.45 0.39 -0.30 -4.53 0.05 -1.26 -5.02 118.68 104.56 1gh1 s LEU 61 Ca 0.54 0.59 0.02 0.00 0.05 0.00 0.00 54.13 55.33 1gh1 s LEU 61 Cb 0.42 -2.23 0.07 0.00 -2.05 0.00 0.00 46.19 42.40 1gh1 s LEU 61 CO -0.31 -4.39 -0.03 0.21 -0.55 0.00 0.00 176.35 171.29 1gh1 s ASN 62 N -3.86 4.68 0.24 1.48 3.84 -1.00 -4.97 114.94 115.34 1gh1 s ASN 62 Ca 0.71 -1.60 -0.06 0.00 0.21 0.00 0.00 52.86 52.12 1gh1 s ASN 62 Cb -0.09 -1.62 0.23 0.00 -0.55 0.00 0.00 41.25 39.22 1gh1 s ASN 62 CO 0.56 -0.28 1.82 -0.08 -2.79 0.00 0.00 177.10 176.33 1gh1 h GLU 63 N 7.80 1.15 -0.42 0.43 4.81 -1.89 -0.76 114.58 125.70 1gh1 h GLU 63 Ca -0.15 -0.18 0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1gh1 h GLU 63 Cb 1.04 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 1gh1 h GLU 63 CO 0.51 0.90 0.17 0.22 -0.73 0.00 0.00 179.01 180.08 1gh1 h ASP 64 N 1.13 0.20 0.05 1.04 3.58 -1.95 0.26 116.42 120.72 1gh1 h ASP 64 Ca 0.27 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 1gh1 h ASP 64 Cb 0.16 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1gh1 h ASP 64 CO -0.03 0.15 -0.02 0.78 -2.88 0.00 0.00 179.24 177.24 1gh1 h ASN 65 N 0.34 -0.05 -0.67 2.28 2.35 -1.80 -1.27 115.58 116.76 1gh1 h ASN 65 Ca 0.19 -0.50 0.14 0.00 -0.55 0.00 0.00 56.30 55.58 1gh1 h ASN 65 Cb 0.16 0.01 -0.11 0.00 0.05 0.00 0.00 38.32 38.43 1gh1 h ASN 65 CO -0.18 0.49 0.03 0.00 -1.65 0.00 0.00 177.43 176.12 1gh1 h ALA 66 N 0.28 0.70 0.00 -0.83 0.00 -0.97 0.46 119.26 118.90 1gh1 h ALA 66 Ca -0.01 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1gh1 h ALA 66 Cb 0.55 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1gh1 h ALA 66 CO 0.01 -0.39 -0.25 -0.09 0.00 0.00 0.00 179.25 178.53 1gh1 h ARG 67 N 0.14 0.00 -0.00 0.00 2.43 -0.96 -2.88 114.38 113.11 1gh1 h ARG 67 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1gh1 h ARG 67 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1gh1 h ARG 67 CO -0.56 0.25 -0.06 0.43 -1.51 0.00 0.00 179.97 178.52 1gh1 n SER 68 N -3.50 0.24 0.00 -3.80 7.64 0.16 -4.04 113.62 110.32 1gh1 n SER 68 Ca -0.00 -0.38 -0.07 0.00 1.01 0.00 0.00 58.87 59.42 1gh1 n SER 68 Cb 0.41 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 1gh1 n SER 68 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1gh1 h ILE 69 N 0.28 0.65 -0.69 0.44 2.04 -1.13 -3.30 117.51 115.81 1gh1 h ILE 69 Ca 0.00 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 1gh1 h ILE 69 Cb 0.32 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1gh1 h ILE 69 CO 0.00 0.20 0.42 1.55 0.00 0.00 0.00 178.15 180.32 1gh1 h PRO 70 N -0.98 0.93 0.55 2.37 0.13 -1.73 -2.91 132.00 130.36 1gh1 h PRO 70 Ca -0.01 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1gh1 h PRO 70 Cb 0.43 -0.20 0.01 0.00 0.13 0.00 0.00 31.00 31.37 1gh1 h PRO 70 CO 0.02 0.66 -0.26 -1.00 -0.23 0.00 0.00 178.00 177.19 1gh1 h PRO 71 N 0.94 -0.71 -0.52 1.56 0.13 -1.74 -0.58 132.00 131.08 1gh1 h PRO 71 Ca 0.25 0.05 0.14 0.00 -0.87 0.00 0.00 66.00 65.56 1gh1 h PRO 71 Cb -0.04 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 1gh1 h PRO 71 CO -0.05 -0.42 0.37 1.57 -0.23 0.00 0.00 178.00 179.25 1gh1 h LYS 72 N -0.88 0.08 0.09 0.86 5.09 -1.63 -2.87 116.57 117.31 1gh1 h LYS 72 Ca -0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.66 1gh1 h LYS 72 Cb 0.62 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.93 1gh1 h LYS 72 CO 0.12 0.05 -0.04 0.00 -2.09 0.00 0.00 179.45 177.49 1gh1 n GLY 74 N 1.34 1.58 0.03 0.00 0.00 -0.24 -5.01 105.19 102.90 1gh1 n GLY 74 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1gh1 n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gh1 n VAL 75 N -0.87 0.46 -2.71 1.61 0.24 -1.22 -5.08 118.33 110.76 1gh1 n VAL 75 Ca 0.00 -0.31 -0.03 0.00 -2.04 0.00 0.00 64.34 61.96 1gh1 n VAL 75 Cb 0.00 -0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 31.74 1gh1 n VAL 75 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1gh1 n ASN 76 N -2.21 -4.69 -4.90 -1.34 5.15 -1.23 -5.00 115.26 101.03 1gh1 n ASN 76 Ca -0.11 1.34 -0.31 0.00 -0.60 0.00 0.00 54.58 54.91 1gh1 n ASN 76 Cb 0.67 -5.02 -0.04 0.00 -0.53 0.00 0.00 39.78 34.86 1gh1 n ASN 76 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1gh1 s LEU 77 N -1.14 4.22 0.00 1.20 1.02 -1.26 -4.97 118.68 117.75 1gh1 s LEU 77 Ca -0.13 0.62 0.18 0.00 0.02 0.00 0.00 54.13 54.83 1gh1 s LEU 77 Cb 0.01 -3.37 0.70 0.00 0.02 0.00 0.00 46.19 43.55 1gh1 s LEU 77 CO 0.73 -0.01 1.50 -0.81 0.02 0.00 0.00 176.35 177.78 1gh1 n PRO 78 N -0.16 1.58 -3.58 1.29 -0.04 -1.26 -4.88 135.00 127.95 1gh1 n PRO 78 Ca -0.02 -0.88 -0.13 0.00 -0.04 0.00 0.00 63.50 62.43 1gh1 n PRO 78 Cb 0.52 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.59 1gh1 n PRO 78 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1gh1 s TYR 79 N -1.79 -0.51 0.00 0.54 1.13 -1.26 -4.34 117.35 111.12 1gh1 s TYR 79 Ca 0.28 1.00 0.00 0.00 -1.41 0.00 0.00 57.07 56.95 1gh1 s TYR 79 Cb 0.15 0.40 0.00 0.00 -1.10 0.00 0.00 41.96 41.41 1gh1 s TYR 79 CO 0.22 -0.40 0.00 -2.37 -2.51 0.00 0.00 175.55 170.50 1gh1 n THR 80 N 1.27 0.00 -1.73 -3.49 5.66 -1.26 -5.03 114.28 109.70 1gh1 n THR 80 Ca -0.13 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.45 1gh1 n THR 80 Cb 0.57 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1gh1 n THR 80 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1gh1 n ILE 81 N 0.00 3.63 -3.66 1.09 -0.00 -1.26 -4.62 119.36 114.54 1gh1 n ILE 81 Ca 0.00 -3.07 -0.05 0.00 -0.00 0.00 0.00 62.75 59.64 1gh1 n ILE 81 Cb 0.00 -2.59 -0.01 0.00 -0.00 0.00 0.00 39.64 37.04 1gh1 n ILE 81 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1gh1 n SER 82 N 5.62 -0.49 -2.74 4.38 2.88 -1.26 -4.72 113.62 117.28 1gh1 n SER 82 Ca 0.54 -1.61 -0.05 0.00 -1.33 0.00 0.00 58.87 56.43 1gh1 n SER 82 Cb 0.37 0.90 0.04 0.00 -0.75 0.00 0.00 64.21 64.77 1gh1 n SER 82 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1gh1 n LEU 83 N 0.00 1.63 -1.46 2.46 4.77 -1.26 -4.89 117.00 118.25 1gh1 n LEU 83 Ca -0.00 -3.37 0.04 0.00 -0.03 0.00 0.00 56.01 52.64 1gh1 n LEU 83 Cb 0.19 0.43 0.05 0.00 -2.33 0.00 0.00 43.42 41.76 1gh1 n LEU 83 CO 0.09 1.29 0.10 -3.20 -1.33 0.00 0.00 177.39 174.35 1gh1 n ASN 84 N -0.38 1.20 -3.42 -1.43 5.15 -1.26 -5.09 115.26 110.03 1gh1 n ASN 84 Ca 0.09 -2.31 -0.14 0.00 -0.60 0.00 0.00 54.58 51.62 1gh1 n ASN 84 Cb 0.81 -0.35 -0.05 0.00 -0.53 0.00 0.00 39.78 39.66 1gh1 n ASN 84 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1gh1 s ILE 85 N -0.81 0.00 -0.19 -1.44 -5.25 -1.26 -5.15 121.20 107.10 1gh1 s ILE 85 Ca 0.34 -1.64 -0.06 0.00 -0.99 0.00 0.00 60.65 58.30 1gh1 s ILE 85 Cb 0.38 -2.57 0.09 0.00 2.95 0.00 0.00 42.46 43.32 1gh1 s ILE 85 CO -0.14 0.00 0.39 -0.62 -1.79 0.00 0.00 174.94 172.78 1gh1 s ASP 86 N -3.22 -0.12 0.13 4.36 -1.08 -1.26 -5.05 116.67 110.44 1gh1 s ASP 86 Ca 0.31 0.87 -0.13 0.00 -0.52 0.00 0.00 52.55 53.08 1gh1 s ASP 86 Cb 0.00 1.22 -0.01 0.00 -1.46 0.00 0.00 42.92 42.67 1gh1 s ASP 86 CO 0.19 -0.24 1.55 0.00 0.52 0.00 0.00 175.17 177.19 1gh1 n SER 88 N -4.32 0.00 -2.61 0.00 2.88 -1.26 -4.95 113.62 103.36 1gh1 n SER 88 Ca -0.01 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1gh1 n SER 88 Cb 0.35 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.93 1gh1 n SER 88 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1gh1 n ARG 89 N 0.00 1.25 0.00 -1.46 0.63 -1.26 -5.20 116.66 110.63 1gh1 n ARG 89 Ca 0.00 -1.24 0.14 0.00 -0.92 0.00 0.00 57.85 55.83 1gh1 n ARG 89 Cb 0.00 0.32 0.84 0.00 0.45 0.00 0.00 32.46 34.08 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67