#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 5.45 0.65 9.51 -1.08 -1.26 -4.93 116.67 125.01 1gh1 s ASP 2 Ca 0.00 0.18 0.43 0.00 -0.52 0.00 0.00 52.55 52.64 1gh1 s ASP 2 Cb 0.00 -1.64 2.31 0.00 -1.46 0.00 0.00 42.92 42.13 1gh1 s ASP 2 CO 0.00 0.35 2.33 0.00 0.52 0.00 0.00 175.17 178.37 1gh1 h GLY 4 N 0.26 0.48 0.21 0.00 0.00 -1.99 0.22 103.07 102.24 1gh1 h GLY 4 Ca -0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 47.33 46.82 1gh1 h GLY 4 CO 0.00 0.07 -2.31 1.57 0.00 0.00 0.00 176.54 175.87 1gh1 n HIS 5 N -4.46 0.42 -0.09 5.60 -0.00 -0.76 -4.24 115.22 111.70 1gh1 n HIS 5 Ca 0.11 0.09 0.03 0.00 -0.00 0.00 0.00 57.72 57.95 1gh1 n HIS 5 Cb 0.45 -1.06 0.35 0.00 -0.00 0.00 0.00 29.99 29.74 1gh1 n HIS 5 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1gh1 h VAL 6 N 0.02 1.13 -0.98 3.57 2.07 -1.31 -1.78 116.25 118.98 1gh1 h VAL 6 Ca -0.52 -0.26 0.20 0.00 0.82 0.00 0.00 66.70 66.94 1gh1 h VAL 6 Cb 1.96 0.32 -0.11 0.00 -1.52 0.00 0.00 31.29 31.94 1gh1 h VAL 6 CO -0.03 0.14 0.58 -0.78 0.02 0.00 0.00 177.57 177.50 1gh1 h ASP 7 N 0.75 0.71 1.29 0.57 1.82 -0.75 0.69 116.42 121.49 1gh1 h ASP 7 Ca 0.21 0.11 -0.11 0.00 -0.39 0.00 0.00 57.03 56.85 1gh1 h ASP 7 Cb -0.07 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 39.92 1gh1 h ASP 7 CO -0.05 0.22 -0.50 0.77 -1.61 0.00 0.00 179.24 178.07 1gh1 h SER 8 N 0.70 0.00 0.53 2.28 4.64 -1.51 -2.17 113.55 118.01 1gh1 h SER 8 Ca 0.58 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.67 1gh1 h SER 8 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1gh1 h SER 8 CO -0.41 0.50 -1.00 -0.07 -0.87 0.00 0.00 176.83 174.99 1gh1 h LEU 9 N 0.00 0.38 0.00 5.97 3.38 -0.69 -3.28 115.31 121.07 1gh1 h LEU 9 Ca -0.01 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1gh1 h LEU 9 Cb 1.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1gh1 h LEU 9 CO 0.07 1.17 -0.71 -0.37 0.09 0.00 0.00 178.44 178.68 1gh1 h VAL 10 N 0.14 0.35 -0.41 1.22 -1.51 -1.18 -3.38 116.25 111.48 1gh1 h VAL 10 Ca -0.08 -1.56 0.06 0.00 -1.23 0.00 0.00 66.70 63.89 1gh1 h VAL 10 Cb 1.66 2.00 -0.05 0.00 -2.13 0.00 0.00 31.29 32.77 1gh1 h VAL 10 CO 0.16 0.20 0.11 -0.09 -1.23 0.00 0.00 177.57 176.72 1gh1 h ARG 11 N 0.00 0.24 -0.40 5.19 9.65 -1.44 -2.17 114.38 125.46 1gh1 h ARG 11 Ca -0.04 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1gh1 h ARG 11 Cb 1.24 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.74 1gh1 h ARG 11 CO 0.03 0.16 0.27 -1.00 2.80 0.00 0.00 179.97 182.23 1gh1 h PRO 12 N 0.25 0.43 0.05 0.20 0.13 -1.73 -2.46 132.00 128.88 1gh1 h PRO 12 Ca 0.20 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 65.07 1gh1 h PRO 12 Cb 0.21 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 1gh1 h PRO 12 CO -0.23 0.28 -1.06 0.00 -0.23 0.00 0.00 178.00 176.76 1gh1 h LEU 14 N 0.07 0.15 -2.05 0.00 6.46 -0.93 -2.14 115.31 116.88 1gh1 h LEU 14 Ca -0.07 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.73 1gh1 h LEU 14 Cb 1.76 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.65 1gh1 h LEU 14 CO 0.16 0.12 0.35 0.28 -0.62 0.00 0.00 178.44 178.73 1gh1 h SER 15 N 0.18 0.00 0.04 1.25 0.02 -1.49 -1.62 113.55 111.93 1gh1 h SER 15 Ca 0.05 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.63 1gh1 h SER 15 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1gh1 h SER 15 CO -0.01 0.00 -2.10 0.00 -1.14 0.00 0.00 176.83 173.58 1gh1 n TYR 16 N -3.26 0.60 -0.13 3.45 9.36 -0.81 -4.13 117.16 122.25 1gh1 n TYR 16 Ca 0.01 0.17 0.21 0.00 3.32 0.00 0.00 57.90 61.62 1gh1 n TYR 16 Cb 0.44 -1.07 0.63 0.00 -0.63 0.00 0.00 39.34 38.71 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 -0.37 0.69 -0.12 2.97 2.07 -1.24 -0.05 116.25 120.20 1gh1 h VAL 17 Ca -0.51 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1gh1 h VAL 17 Cb 1.77 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1gh1 h VAL 17 CO -0.12 0.03 0.07 0.06 0.02 0.00 0.00 177.57 177.63 1gh1 h GLN 18 N 0.16 0.16 0.00 1.57 3.07 -1.58 -2.87 115.11 115.63 1gh1 h GLN 18 Ca 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.09 1gh1 h GLN 18 Cb 1.20 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1gh1 h GLN 18 CO -0.06 0.12 0.00 0.41 0.09 0.00 0.00 178.83 179.39 1gh1 n GLY 19 N -1.49 0.98 1.17 0.06 0.00 -0.03 -4.63 105.19 101.24 1gh1 n GLY 19 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 3.75 3.77 -0.02 0.00 -1.22 -5.10 105.19 106.37 1gh1 n GLY 20 Ca 0.00 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.53 4.12 0.00 1.61 0.04 -1.26 -4.64 135.00 132.34 1gh1 s PRO 21 Ca 0.09 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1gh1 s PRO 21 Cb 0.00 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1gh1 s PRO 21 CO 0.07 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1gh1 n GLY 22 N 0.68 -0.01 0.15 0.56 0.00 -1.26 -4.55 105.19 100.76 1gh1 n GLY 22 Ca 0.04 -1.36 -0.05 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.33 0.00 1.61 0.13 -1.87 -3.47 132.00 128.08 1gh1 h PRO 23 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1gh1 h PRO 23 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1gh1 h PRO 23 CO 0.00 -0.22 0.00 -1.13 -0.23 0.00 0.00 178.00 176.42 1gh1 n SER 24 N -3.88 0.00 0.00 1.44 3.41 -1.26 -4.72 113.62 108.61 1gh1 n SER 24 Ca -0.04 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.69 1gh1 n SER 24 Cb 0.13 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.28 -1.07 0.00 5.00 0.00 -1.26 -2.44 105.19 105.14 1gh1 n GLY 25 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.25 0.91 -0.03 1.61 3.00 -1.26 -4.26 117.38 116.10 1gh1 n GLN 26 Ca 0.13 -0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.98 1gh1 n GLN 26 Cb 0.18 -1.38 -0.05 0.00 0.00 0.00 0.00 30.24 29.00 1gh1 n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gh1 n ASP 29 N -3.13 1.71 -0.03 0.00 2.03 -1.08 -2.87 116.55 113.18 1gh1 n ASP 29 Ca 0.02 0.10 -0.16 0.00 0.52 0.00 0.00 54.79 55.27 1gh1 n ASP 29 Cb 0.41 -0.43 -0.06 0.00 -0.72 0.00 0.00 41.12 40.32 1gh1 n ASP 29 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1gh1 h GLY 30 N 1.99 0.88 0.71 0.27 0.00 -0.07 -2.88 103.07 103.98 1gh1 h GLY 30 Ca -0.47 -1.19 -0.20 0.00 0.00 0.00 0.00 47.33 45.47 1gh1 h GLY 30 CO 0.02 1.06 -0.88 -2.08 0.00 0.00 0.00 176.54 174.66 1gh1 h VAL 31 N 0.56 1.48 -0.65 4.60 2.07 -1.39 -2.83 116.25 120.10 1gh1 h VAL 31 Ca -0.04 -2.54 0.12 0.00 0.82 0.00 0.00 66.70 65.06 1gh1 h VAL 31 Cb 1.35 3.17 -0.09 0.00 -1.52 0.00 0.00 31.29 34.20 1gh1 h VAL 31 CO 0.15 0.72 0.17 0.50 0.02 0.00 0.00 177.57 179.13 1gh1 h LYS 32 N -0.34 0.29 0.85 1.57 3.64 -1.63 0.73 116.57 121.69 1gh1 h LYS 32 Ca -0.16 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1gh1 h LYS 32 Cb 1.68 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1gh1 h LYS 32 CO 0.15 0.19 -0.46 -0.91 -2.27 0.00 0.00 179.45 176.16 1gh1 h ASN 33 N 0.30 -1.13 -0.36 4.20 2.35 -1.59 -1.17 115.58 118.19 1gh1 h ASN 33 Ca 0.34 0.05 0.08 0.00 -0.55 0.00 0.00 56.30 56.22 1gh1 h ASN 33 Cb 0.52 0.31 -0.09 0.00 0.05 0.00 0.00 38.32 39.11 1gh1 h ASN 33 CO -0.41 -0.74 -0.29 0.25 -1.65 0.00 0.00 177.43 174.58 1gh1 h LEU 34 N -1.21 -0.96 -0.05 1.61 5.85 -1.14 0.17 115.31 119.58 1gh1 h LEU 34 Ca -0.11 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1gh1 h LEU 34 Cb 0.95 0.46 -0.05 0.00 0.37 0.00 0.00 40.66 42.39 1gh1 h LEU 34 CO 0.16 -0.30 -0.23 -0.74 -0.34 0.00 0.00 178.44 176.98 1gh1 h HIS 35 N -0.24 -0.61 -0.47 1.25 2.76 -0.81 -1.41 115.15 115.62 1gh1 h HIS 35 Ca 0.17 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 1gh1 h HIS 35 Cb 0.51 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 1gh1 h HIS 35 CO -0.49 -0.31 0.31 -0.97 -1.30 0.00 0.00 177.93 175.17 1gh1 h ASN 36 N -0.33 0.50 0.00 3.26 -1.24 -0.61 -3.30 115.58 113.86 1gh1 h ASN 36 Ca 0.08 -0.01 -0.70 0.00 0.71 0.00 0.00 56.30 56.37 1gh1 h ASN 36 Cb 0.44 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.34 1gh1 h ASN 36 CO -0.24 0.35 3.18 0.00 -1.29 0.00 0.00 177.43 179.44 1gh1 n GLN 37 N -4.47 2.89 -3.38 6.67 6.02 0.53 -4.77 117.38 120.88 1gh1 n GLN 37 Ca 0.05 -2.55 -0.18 0.00 -0.01 0.00 0.00 57.00 54.31 1gh1 n GLN 37 Cb 0.10 -3.24 -0.09 0.00 1.02 0.00 0.00 30.24 28.04 1gh1 n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gh1 s ALA 38 N 3.15 -0.33 -0.70 -1.58 0.00 -1.24 -4.87 121.76 116.18 1gh1 s ALA 38 Ca 0.49 -0.84 0.23 0.00 0.00 0.00 0.00 51.96 51.84 1gh1 s ALA 38 Cb 0.14 -1.94 0.08 0.00 0.00 0.00 0.00 23.12 21.40 1gh1 s ALA 38 CO -0.08 -2.00 1.06 -2.13 0.00 0.00 0.00 175.76 172.61 1gh1 n ARG 39 N 4.57 0.22 -4.13 0.00 0.63 -1.26 -4.93 116.66 111.75 1gh1 n ARG 39 Ca 0.07 -0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.86 1gh1 n ARG 39 Cb 0.45 -1.57 -0.11 0.00 0.45 0.00 0.00 32.46 31.68 1gh1 n ARG 39 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1gh1 s SER 40 N -3.70 1.19 0.45 6.15 0.01 -1.26 -5.02 113.70 111.51 1gh1 s SER 40 Ca 0.05 -0.73 0.23 0.00 1.31 0.00 0.00 55.95 56.82 1gh1 s SER 40 Cb 0.15 0.03 1.23 0.00 0.21 0.00 0.00 66.02 67.64 1gh1 s SER 40 CO 0.80 -0.26 1.82 -0.61 0.41 0.00 0.00 173.24 175.39 1gh1 h GLN 41 N 3.89 0.26 -0.35 12.44 4.15 -2.01 0.13 115.11 133.61 1gh1 h GLN 41 Ca -0.37 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.01 1gh1 h GLN 41 Cb 1.19 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 1gh1 h GLN 41 CO 0.49 0.17 0.08 0.77 -1.93 0.00 0.00 178.83 178.42 1gh1 h SER 42 N 0.27 0.47 0.16 -0.69 0.02 -1.98 -0.70 113.55 111.10 1gh1 h SER 42 Ca 0.53 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 61.31 1gh1 h SER 42 Cb 1.59 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.99 1gh1 h SER 42 CO -0.17 0.48 -0.41 -0.78 -1.14 0.00 0.00 176.83 174.80 1gh1 h ASP 43 N 0.51 0.35 0.07 3.07 3.58 -1.10 0.57 116.42 123.46 1gh1 h ASP 43 Ca 0.12 -0.15 -0.12 0.00 0.42 0.00 0.00 57.03 57.30 1gh1 h ASP 43 Cb 0.20 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.17 1gh1 h ASP 43 CO -0.00 0.73 -0.50 -0.09 -2.88 0.00 0.00 179.24 176.49 1gh1 h ARG 44 N 0.28 0.22 -0.88 0.28 2.43 -1.51 -3.10 114.38 112.09 1gh1 h ARG 44 Ca 0.02 -0.33 0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1gh1 h ARG 44 Cb 0.85 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.45 1gh1 h ARG 44 CO 0.07 1.12 0.57 0.37 -1.51 0.00 0.00 179.97 180.59 1gh1 h GLN 45 N -0.52 0.90 0.92 0.20 4.15 -1.07 -0.37 115.11 119.33 1gh1 h GLN 45 Ca -0.08 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 1gh1 h GLN 45 Cb 1.35 -0.20 0.01 0.00 0.21 0.00 0.00 27.48 28.85 1gh1 h GLN 45 CO 0.10 0.59 -0.44 0.77 -1.93 0.00 0.00 178.83 177.92 1gh1 h SER 46 N 0.93 -1.05 -0.97 -0.69 0.02 -0.93 -1.93 113.55 108.93 1gh1 h SER 46 Ca 0.39 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.47 1gh1 h SER 46 Cb 0.31 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 63.04 1gh1 h SER 46 CO -0.15 -0.74 0.62 0.00 -1.14 0.00 0.00 176.83 175.41 1gh1 h ALA 47 N -1.42 1.52 -0.78 3.77 0.00 -1.42 -0.36 119.26 120.57 1gh1 h ALA 47 Ca -0.13 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1gh1 h ALA 47 Cb 0.95 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1gh1 h ALA 47 CO 0.21 0.28 0.51 0.00 0.00 0.00 0.00 179.25 180.25 1gh1 h ASN 49 N 0.84 0.46 -0.16 0.00 2.35 -0.25 -2.44 115.58 116.37 1gh1 h ASN 49 Ca 0.34 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1gh1 h ASN 49 Cb 0.25 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.43 1gh1 h ASN 49 CO -0.12 0.59 -0.53 0.00 -1.65 0.00 0.00 177.43 175.73 1gh1 h LEU 51 N -0.56 1.07 0.08 0.00 4.07 -1.56 -1.51 115.31 116.90 1gh1 h LEU 51 Ca 0.04 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 1gh1 h LEU 51 Cb 0.67 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1gh1 h LEU 51 CO -0.45 0.90 -0.04 0.50 -1.08 0.00 0.00 178.44 178.27 1gh1 h LYS 52 N 1.17 -0.10 -0.94 1.13 3.64 -0.86 0.65 116.57 121.26 1gh1 h LYS 52 Ca 0.28 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.75 1gh1 h LYS 52 Cb 0.11 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 1gh1 h LYS 52 CO -0.04 0.25 0.59 0.78 -2.27 0.00 0.00 179.45 178.76 1gh1 h GLY 53 N -0.47 1.45 0.26 5.01 0.00 -0.44 -1.35 103.07 107.52 1gh1 h GLY 53 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1gh1 h GLY 53 CO 0.02 0.25 -0.13 -2.22 0.00 0.00 0.00 176.54 174.46 1gh1 h ILE 54 N 1.03 0.00 -0.95 2.60 2.04 -1.14 -3.17 117.51 117.91 1gh1 h ILE 54 Ca 0.42 -0.06 0.30 0.00 1.00 0.00 0.00 64.86 66.53 1gh1 h ILE 54 Cb 0.26 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.18 1gh1 h ILE 54 CO -0.20 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.32 1gh1 h ALA 55 N -1.78 1.64 -0.63 1.87 0.00 -0.76 0.28 119.26 119.88 1gh1 h ALA 55 Ca -0.04 0.23 0.18 0.00 0.00 0.00 0.00 54.91 55.29 1gh1 h ALA 55 Cb 0.27 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1gh1 h ALA 55 CO 0.06 -0.59 0.50 -0.09 0.00 0.00 0.00 179.25 179.13 1gh1 h ARG 56 N 0.19 0.00 0.00 0.00 1.12 -1.22 0.36 114.38 114.84 1gh1 h ARG 56 Ca 0.67 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 59.44 1gh1 h ARG 56 Cb 1.50 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.44 1gh1 h ARG 56 CO -0.69 0.00 -0.92 0.78 -3.11 0.00 0.00 179.97 176.04 1gh1 h GLY 57 N 0.00 0.00 -3.79 2.80 0.00 -0.47 -3.45 103.07 98.16 1gh1 h GLY 57 Ca 0.30 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.13 1gh1 h GLY 57 CO -0.00 0.00 0.35 -0.42 0.00 0.00 0.00 176.54 176.47 1gh1 s ILE 58 N -3.06 4.12 -0.25 2.60 1.01 0.11 -4.97 121.20 120.76 1gh1 s ILE 58 Ca 0.01 2.09 -0.16 0.00 0.00 0.00 0.00 60.65 62.58 1gh1 s ILE 58 Cb 0.08 -4.33 -0.13 0.00 0.01 0.00 0.00 42.46 38.09 1gh1 s ILE 58 CO 0.77 0.48 -0.20 1.41 0.00 0.00 0.00 174.94 177.40 1gh1 n HIS 59 N 1.63 0.29 -2.31 3.97 8.25 -1.26 -4.62 115.22 121.16 1gh1 n HIS 59 Ca -0.02 0.13 -0.43 0.00 -0.26 0.00 0.00 57.72 57.14 1gh1 n HIS 59 Cb 0.47 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.58 1gh1 n HIS 59 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1gh1 n ASN 60 N -4.31 4.87 -4.74 0.41 5.15 -1.26 -4.97 115.26 110.40 1gh1 n ASN 60 Ca -0.46 -3.03 -0.40 0.00 -0.60 0.00 0.00 54.58 50.09 1gh1 n ASN 60 Cb 0.81 -1.54 -0.05 0.00 -0.53 0.00 0.00 39.78 38.47 1gh1 n ASN 60 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1gh1 s LEU 61 N 0.71 4.43 -0.28 1.20 1.43 -1.26 -4.86 118.68 120.05 1gh1 s LEU 61 Ca 0.42 1.37 -0.09 0.00 -1.03 0.00 0.00 54.13 54.80 1gh1 s LEU 61 Cb 0.09 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 1gh1 s LEU 61 CO -0.01 0.01 0.13 0.21 0.23 0.00 0.00 176.35 176.92 1gh1 s ASN 62 N 0.04 5.50 0.11 2.29 2.47 -1.08 -4.96 114.94 119.31 1gh1 s ASN 62 Ca 0.37 -0.26 -0.06 0.00 0.42 0.00 0.00 52.86 53.33 1gh1 s ASN 62 Cb -0.20 -2.00 -0.15 0.00 -1.45 0.00 0.00 41.25 37.45 1gh1 s ASN 62 CO 0.21 -0.09 1.25 -0.08 -3.72 0.00 0.00 177.10 174.67 1gh1 h GLU 63 N 8.31 0.43 -0.63 0.43 4.81 -1.90 -2.97 114.58 123.07 1gh1 h GLU 63 Ca -0.35 -0.51 0.12 0.00 -0.13 0.00 0.00 59.36 58.48 1gh1 h GLU 63 Cb 1.17 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 30.62 1gh1 h GLU 63 CO 0.58 1.17 0.16 0.22 -0.73 0.00 0.00 179.01 180.41 1gh1 h ASP 64 N 0.22 0.05 0.06 1.04 3.58 -1.93 0.13 116.42 119.57 1gh1 h ASP 64 Ca -0.10 0.11 -0.12 0.00 0.42 0.00 0.00 57.03 57.34 1gh1 h ASP 64 Cb 1.68 0.14 0.01 0.00 1.72 0.00 0.00 39.33 42.88 1gh1 h ASP 64 CO 0.18 0.03 -0.50 0.78 -2.88 0.00 0.00 179.24 176.85 1gh1 h ASN 65 N 0.29 0.33 -0.87 2.28 2.35 -1.86 -2.41 115.58 115.70 1gh1 h ASN 65 Ca 0.33 -0.89 0.23 0.00 -0.55 0.00 0.00 56.30 55.41 1gh1 h ASN 65 Cb 0.49 -0.11 -0.13 0.00 0.05 0.00 0.00 38.32 38.62 1gh1 h ASN 65 CO -0.40 1.20 0.29 0.00 -1.65 0.00 0.00 177.43 176.87 1gh1 h ALA 66 N 0.14 1.32 0.00 -0.83 0.00 -1.28 0.57 119.26 119.17 1gh1 h ALA 66 Ca -0.08 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1gh1 h ALA 66 Cb 1.32 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1gh1 h ALA 66 CO 0.09 -0.42 -0.21 -0.09 0.00 0.00 0.00 179.25 178.63 1gh1 h ARG 67 N 0.28 0.00 -0.01 0.00 2.43 -1.04 -3.17 114.38 112.87 1gh1 h ARG 67 Ca 0.55 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1gh1 h ARG 67 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1gh1 h ARG 67 CO -0.60 0.21 -0.06 0.43 -1.51 0.00 0.00 179.97 178.44 1gh1 n SER 68 N -3.19 0.59 -0.01 -3.80 7.64 0.19 -4.12 113.62 110.91 1gh1 n SER 68 Ca 0.02 -0.89 -0.01 0.00 1.01 0.00 0.00 58.87 59.01 1gh1 n SER 68 Cb 0.57 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.83 0.00 -0.79 0.44 2.04 -1.33 -3.38 117.51 115.32 1gh1 h ILE 69 Ca 0.00 -0.92 0.07 0.00 1.00 0.00 0.00 64.86 65.02 1gh1 h ILE 69 Cb 0.30 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.32 1gh1 h ILE 69 CO 0.00 0.00 0.46 1.55 0.00 0.00 0.00 178.15 180.16 1gh1 h PRO 70 N -1.00 0.80 0.00 2.37 0.13 -1.76 -3.11 132.00 129.43 1gh1 h PRO 70 Ca -0.01 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1gh1 h PRO 70 Cb 0.07 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.01 1gh1 h PRO 70 CO 0.01 0.53 0.00 -0.35 -0.23 0.00 0.00 178.00 177.97 1gh1 n PRO 71 N -4.71 0.00 -0.30 1.56 -0.04 -1.26 -1.82 135.00 128.43 1gh1 n PRO 71 Ca 0.12 0.42 0.33 0.00 -0.04 0.00 0.00 63.50 64.32 1gh1 n PRO 71 Cb 0.21 -1.40 0.72 0.00 -0.04 0.00 0.00 33.50 32.98 1gh1 n PRO 71 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1gh1 h LYS 72 N 0.00 0.05 0.51 0.54 2.10 -1.73 -2.20 116.57 115.84 1gh1 h LYS 72 Ca 0.00 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1gh1 h LYS 72 Cb 0.00 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1gh1 h LYS 72 CO 0.00 0.03 -0.25 0.00 -2.00 0.00 0.00 179.45 177.24 1gh1 n GLY 74 N -0.33 1.54 0.04 0.00 0.00 -0.76 -5.01 105.19 100.68 1gh1 n GLY 74 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 0.52 -2.79 1.61 0.24 -1.23 -5.10 118.33 110.72 1gh1 n VAL 75 Ca 0.00 -0.29 -0.01 0.00 -2.04 0.00 0.00 64.34 62.00 1gh1 n VAL 75 Cb 0.00 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.56 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 -2.41 -7.89 -4.88 -1.34 5.15 -1.22 -4.99 115.26 97.68 1gh1 n ASN 76 Ca -0.13 1.24 -0.30 0.00 -0.60 0.00 0.00 54.58 54.78 1gh1 n ASN 76 Cb 0.73 -4.97 -0.03 0.00 -0.53 0.00 0.00 39.78 34.98 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 -1.69 3.85 0.00 1.20 1.02 -1.26 -4.96 118.68 116.83 1gh1 s LEU 77 Ca 0.03 1.06 0.30 0.00 0.02 0.00 0.00 54.13 55.54 1gh1 s LEU 77 Cb -0.01 -3.94 1.39 0.00 0.02 0.00 0.00 46.19 43.65 1gh1 s LEU 77 CO 0.72 -0.38 1.94 -2.65 0.02 0.00 0.00 176.35 175.99 1gh1 n PRO 78 N -1.31 1.07 -3.64 1.29 -0.02 -1.26 -4.84 135.00 126.29 1gh1 n PRO 78 Ca 0.02 -0.37 -0.09 0.00 -2.02 0.00 0.00 63.50 61.03 1gh1 n PRO 78 Cb 0.54 -1.49 -0.07 0.00 -0.02 0.00 0.00 33.50 32.46 1gh1 n PRO 78 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1gh1 s TYR 79 N -2.18 -0.60 0.00 6.00 -0.85 -1.26 -4.44 117.35 114.02 1gh1 s TYR 79 Ca 0.38 1.38 0.00 0.00 -0.52 0.00 0.00 57.07 58.31 1gh1 s TYR 79 Cb 0.21 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.91 1gh1 s TYR 79 CO 0.40 -0.29 0.00 -2.37 -1.52 0.00 0.00 175.55 171.77 1gh1 n THR 80 N 2.69 0.00 -1.60 -3.49 5.66 -1.26 -5.02 114.28 111.26 1gh1 n THR 80 Ca -0.14 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.44 1gh1 n THR 80 Cb 0.56 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.31 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 2.72 -3.54 1.09 2.08 -1.26 -4.76 119.36 115.69 1gh1 n ILE 81 Ca 0.00 -2.46 -0.14 0.00 0.56 0.00 0.00 62.75 60.72 1gh1 n ILE 81 Cb 0.00 -2.44 -0.05 0.00 -0.75 0.00 0.00 39.64 36.40 1gh1 n ILE 81 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1gh1 s SER 82 N 4.27 -0.51 -0.91 4.38 0.15 -1.26 -4.79 113.70 115.04 1gh1 s SER 82 Ca 0.53 0.48 -0.01 0.00 0.70 0.00 0.00 55.95 57.65 1gh1 s SER 82 Cb 0.12 0.43 0.34 0.00 -1.71 0.00 0.00 66.02 65.20 1gh1 s SER 82 CO 0.03 -0.52 1.90 0.18 1.20 0.00 0.00 173.24 176.03 1gh1 n LEU 83 N 0.66 7.33 -1.47 3.45 4.32 -1.26 -4.45 117.00 125.57 1gh1 n LEU 83 Ca -0.14 -5.10 0.02 0.00 -0.02 0.00 0.00 56.01 50.77 1gh1 n LEU 83 Cb 0.58 -1.09 0.07 0.00 -1.62 0.00 0.00 43.42 41.37 1gh1 n LEU 83 CO 0.19 1.91 0.14 -3.20 -1.22 0.00 0.00 177.39 175.21 1gh1 n ASN 84 N -0.33 1.53 -3.84 -1.43 2.85 -1.26 -5.08 115.26 107.69 1gh1 n ASN 84 Ca 0.50 -2.63 -0.10 0.00 -0.11 0.00 0.00 54.58 52.24 1gh1 n ASN 84 Cb 0.26 -0.39 -0.08 0.00 1.24 0.00 0.00 39.78 40.81 1gh1 n ASN 84 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1gh1 s ILE 85 N -1.68 0.11 -0.35 -1.44 -5.25 -1.26 -5.08 121.20 106.25 1gh1 s ILE 85 Ca 0.35 -0.91 0.00 0.00 -0.99 0.00 0.00 60.65 59.11 1gh1 s ILE 85 Cb 0.38 -0.96 0.11 0.00 2.95 0.00 0.00 42.46 44.94 1gh1 s ILE 85 CO -0.11 -0.50 0.15 -1.81 -1.79 0.00 0.00 174.94 170.88 1gh1 s ASP 86 N -2.16 3.81 0.07 4.36 1.01 -1.26 -5.02 116.67 117.48 1gh1 s ASP 86 Ca -0.04 -1.96 -0.33 0.00 0.71 0.00 0.00 52.55 50.92 1gh1 s ASP 86 Cb -0.00 -0.85 -0.16 0.00 1.01 0.00 0.00 42.92 42.91 1gh1 s ASP 86 CO -0.05 -0.36 1.51 0.00 0.21 0.00 0.00 175.17 176.48 1gh1 n SER 88 N -5.29 -0.09 -2.70 0.00 7.64 -1.26 -4.97 113.62 106.95 1gh1 n SER 88 Ca -0.12 0.15 -0.02 0.00 1.01 0.00 0.00 58.87 59.89 1gh1 n SER 88 Cb 0.44 0.24 0.12 0.00 -1.01 0.00 0.00 64.21 63.99 1gh1 n SER 88 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1gh1 n ARG 89 N -2.32 1.42 0.00 1.43 0.00 -1.26 -5.21 116.66 110.72 1gh1 n ARG 89 Ca 0.00 -1.58 0.08 0.00 -0.00 0.00 0.00 57.85 56.35 1gh1 n ARG 89 Cb 0.00 0.11 0.48 0.00 0.00 0.00 0.00 32.46 33.05 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18