#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 3.81 0.60 9.51 1.11 -1.26 -4.96 116.67 125.48 1gh1 s ASP 2 Ca 0.00 -0.38 0.40 0.00 0.18 0.00 0.00 52.55 52.75 1gh1 s ASP 2 Cb 0.00 -0.65 2.17 0.00 1.07 0.00 0.00 42.92 45.51 1gh1 s ASP 2 CO 0.00 0.28 2.23 0.00 1.18 0.00 0.00 175.17 178.85 1gh1 h GLY 4 N 0.05 0.54 0.86 0.00 0.00 -1.99 0.54 103.07 103.06 1gh1 h GLY 4 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 47.33 47.07 1gh1 h GLY 4 CO 0.00 0.01 -0.76 0.84 0.00 0.00 0.00 176.54 176.63 1gh1 h HIS 5 N 0.30 0.69 -0.79 5.60 6.17 -1.91 -3.19 115.15 122.01 1gh1 h HIS 5 Ca 0.20 -0.40 0.12 0.00 0.71 0.00 0.00 60.37 60.99 1gh1 h HIS 5 Cb 0.20 -0.07 -0.06 0.00 2.52 0.00 0.00 27.41 30.01 1gh1 h HIS 5 CO -0.16 1.24 0.52 0.28 0.71 0.00 0.00 177.93 180.52 1gh1 h VAL 6 N -0.06 0.89 0.18 5.26 2.07 -1.45 -2.72 116.25 120.41 1gh1 h VAL 6 Ca -0.11 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1gh1 h VAL 6 Cb 1.48 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1gh1 h VAL 6 CO 0.15 0.12 -0.28 0.44 0.02 0.00 0.00 177.57 178.01 1gh1 h ASP 7 N 0.64 -0.81 0.00 0.57 3.32 0.10 0.23 116.42 120.47 1gh1 h ASP 7 Ca 0.38 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1gh1 h ASP 7 Cb 0.59 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1gh1 h ASP 7 CO -0.15 -0.34 0.15 0.77 -1.72 0.00 0.00 179.24 177.95 1gh1 h SER 8 N -0.48 0.00 0.27 6.45 4.64 -1.58 0.42 113.55 123.26 1gh1 h SER 8 Ca -0.02 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.96 1gh1 h SER 8 Cb 0.45 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1gh1 h SER 8 CO -0.09 0.00 -1.68 -0.07 -0.87 0.00 0.00 176.83 174.12 1gh1 h LEU 9 N 0.00 0.56 0.00 5.97 3.38 -0.91 -3.38 115.31 120.94 1gh1 h LEU 9 Ca 0.00 -0.81 -0.06 0.00 0.09 0.00 0.00 57.88 57.10 1gh1 h LEU 9 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1gh1 h LEU 9 CO 0.00 1.68 -1.72 1.33 0.09 0.00 0.00 178.44 179.82 1gh1 n VAL 10 N -3.55 0.43 -0.28 1.22 0.24 0.68 -4.02 118.33 113.05 1gh1 n VAL 10 Ca -0.22 -0.57 -0.06 0.00 -2.04 0.00 0.00 64.34 61.45 1gh1 n VAL 10 Cb 1.07 -0.21 0.07 0.00 -1.47 0.00 0.00 33.84 33.29 1gh1 n VAL 10 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gh1 h ARG 11 N 0.00 1.17 0.00 7.34 2.47 -0.37 -2.78 114.38 122.21 1gh1 h ARG 11 Ca -0.07 -0.24 -0.01 0.00 -1.26 0.00 0.00 59.98 58.40 1gh1 h ARG 11 Cb 1.19 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1gh1 h ARG 11 CO 0.01 0.98 -0.03 -1.00 0.56 0.00 0.00 179.97 180.48 1gh1 h PRO 12 N 1.13 0.00 0.00 0.04 0.13 -1.77 -2.18 132.00 129.35 1gh1 h PRO 12 Ca 0.25 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.28 1gh1 h PRO 12 Cb 0.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 1gh1 h PRO 12 CO -0.01 0.03 -0.46 0.00 -0.23 0.00 0.00 178.00 177.33 1gh1 h LEU 14 N 0.00 0.00 -1.87 0.00 4.07 -1.41 -2.18 115.31 113.92 1gh1 h LEU 14 Ca -0.00 0.00 0.22 0.00 0.08 0.00 0.00 57.88 58.17 1gh1 h LEU 14 Cb 1.20 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.91 1gh1 h LEU 14 CO 0.06 0.00 0.66 0.28 -1.08 0.00 0.00 178.44 178.36 1gh1 h SER 15 N 0.00 0.00 0.05 -0.43 0.02 -1.66 0.20 113.55 111.73 1gh1 h SER 15 Ca 0.02 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.59 1gh1 h SER 15 Cb 0.08 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 1gh1 h SER 15 CO -0.00 0.00 -2.18 0.00 -1.14 0.00 0.00 176.83 173.51 1gh1 n TYR 16 N -3.86 0.58 -0.11 3.45 9.36 -0.83 -3.80 117.16 121.95 1gh1 n TYR 16 Ca 0.15 0.15 0.17 0.00 3.32 0.00 0.00 57.90 61.68 1gh1 n TYR 16 Cb 0.93 -1.07 0.56 0.00 -0.63 0.00 0.00 39.34 39.12 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 -0.19 0.78 0.00 2.97 2.07 -1.03 0.22 116.25 121.07 1gh1 h VAL 17 Ca -0.51 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1gh1 h VAL 17 Cb 1.86 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1gh1 h VAL 17 CO -0.07 0.05 -0.01 0.06 0.02 0.00 0.00 177.57 177.62 1gh1 h GLN 18 N 0.30 0.00 0.00 1.57 3.07 -1.21 -3.04 115.11 115.80 1gh1 h GLN 18 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.07 1gh1 h GLN 18 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.44 1gh1 h GLN 18 CO -0.08 0.01 0.00 0.41 0.09 0.00 0.00 178.83 179.26 1gh1 n GLY 19 N -0.21 0.98 0.00 0.06 0.00 0.06 -4.83 105.19 101.26 1gh1 n GLY 19 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 4.53 3.71 -0.02 0.00 -1.25 -5.09 105.19 107.07 1gh1 n GLY 20 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.05 4.31 0.00 1.61 0.04 -1.26 -4.61 135.00 134.03 1gh1 s PRO 21 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1gh1 s PRO 21 Cb 0.00 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1gh1 s PRO 21 CO 0.00 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1gh1 n GLY 22 N 3.55 -0.66 0.15 0.56 0.00 -1.26 -4.57 105.19 102.96 1gh1 n GLY 22 Ca 0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.85 -3.45 132.00 128.10 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 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 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 -3.66 0.00 0.00 1.44 3.41 -1.26 -4.57 113.62 108.98 1gh1 n SER 24 Ca -0.04 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.72 1gh1 n SER 24 Cb 0.14 0.00 0.83 0.00 -0.26 0.00 0.00 64.21 64.92 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 -0.07 -1.08 0.01 5.00 0.00 -1.26 -2.99 105.19 104.81 1gh1 n GLY 25 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.12 0.44 -0.34 1.61 6.02 -1.26 -4.37 117.38 118.36 1gh1 n GLN 26 Ca 0.19 -0.12 0.10 0.00 -0.01 0.00 0.00 57.00 57.16 1gh1 n GLN 26 Cb 0.16 -1.32 0.28 0.00 1.02 0.00 0.00 30.24 30.38 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 -0.81 0.41 0.11 0.00 1.82 -1.75 0.47 116.42 116.67 1gh1 h ASP 29 Ca 0.00 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1gh1 h ASP 29 Cb 0.03 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 39.94 1gh1 h ASP 29 CO 0.00 0.28 -0.05 1.23 -1.61 0.00 0.00 179.24 179.09 1gh1 h GLY 30 N 0.47 -0.16 1.55 -0.78 0.00 0.51 -2.84 103.07 101.83 1gh1 h GLY 30 Ca 0.17 0.06 -0.19 0.00 0.00 0.00 0.00 47.33 47.37 1gh1 h GLY 30 CO -0.04 -0.06 -0.77 -2.08 0.00 0.00 0.00 176.54 173.59 1gh1 h VAL 31 N -0.78 1.38 -0.90 4.60 2.07 -1.19 -2.51 116.25 118.93 1gh1 h VAL 31 Ca -0.02 -2.19 0.02 0.00 0.82 0.00 0.00 66.70 65.33 1gh1 h VAL 31 Cb 0.56 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 1gh1 h VAL 31 CO 0.03 0.66 0.59 0.50 0.02 0.00 0.00 177.57 179.36 1gh1 h LYS 32 N 0.28 1.15 0.34 1.57 3.64 -0.18 0.93 116.57 124.31 1gh1 h LYS 32 Ca -0.04 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1gh1 h LYS 32 Cb 1.36 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1gh1 h LYS 32 CO 0.13 0.76 -0.16 -0.91 -2.27 0.00 0.00 179.45 177.00 1gh1 h ASN 33 N 1.18 -0.39 -0.23 4.20 2.35 -1.43 -1.51 115.58 119.76 1gh1 h ASN 33 Ca 0.34 -0.15 0.06 0.00 -0.55 0.00 0.00 56.30 55.99 1gh1 h ASN 33 Cb -0.09 0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.31 1gh1 h ASN 33 CO -0.09 -0.02 -0.25 0.25 -1.65 0.00 0.00 177.43 175.67 1gh1 h LEU 34 N -0.80 -0.81 -0.09 1.61 5.85 -1.19 0.35 115.31 120.22 1gh1 h LEU 34 Ca -0.05 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1gh1 h LEU 34 Cb 0.52 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1gh1 h LEU 34 CO 0.08 -0.29 -0.21 -0.74 -0.34 0.00 0.00 178.44 176.94 1gh1 h HIS 35 N -0.27 -0.55 -0.89 1.25 2.76 -0.83 0.73 115.15 117.35 1gh1 h HIS 35 Ca 0.13 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1gh1 h HIS 35 Cb 0.47 0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.65 1gh1 h HIS 35 CO -0.40 -0.29 0.53 -0.97 -1.30 0.00 0.00 177.93 175.51 1gh1 h ASN 36 N -0.28 1.08 -0.88 3.26 -0.00 -0.74 -2.36 115.58 115.65 1gh1 h ASN 36 Ca 0.09 -0.07 -0.02 0.00 -0.00 0.00 0.00 56.30 56.30 1gh1 h ASN 36 Cb 0.41 -0.27 -0.04 0.00 -0.00 0.00 0.00 38.32 38.42 1gh1 h ASN 36 CO -0.26 0.83 0.46 1.56 -0.00 0.00 0.00 177.43 180.02 1gh1 h GLN 37 N 1.23 1.25 -6.37 6.67 1.08 0.63 -3.40 115.11 116.21 1gh1 h GLN 37 Ca 0.32 -0.16 -0.56 0.00 -1.45 0.00 0.00 58.65 56.80 1gh1 h GLN 37 Cb -0.05 -0.24 -0.05 0.00 -0.05 0.00 0.00 27.48 27.10 1gh1 h GLN 37 CO -0.06 0.93 1.17 0.00 -0.95 0.00 0.00 178.83 179.92 1gh1 s ALA 38 N -5.78 2.84 0.00 3.87 0.00 0.16 -4.79 121.76 118.05 1gh1 s ALA 38 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1gh1 s ALA 38 Cb 0.17 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1gh1 s ALA 38 CO 0.83 -2.77 0.58 -2.13 0.00 0.00 0.00 175.76 172.28 1gh1 n ARG 39 N 8.44 0.76 -1.66 0.00 0.00 -1.26 -4.83 116.66 118.11 1gh1 n ARG 39 Ca 0.18 -0.75 0.00 0.00 -0.00 0.00 0.00 57.85 57.28 1gh1 n ARG 39 Cb 0.48 -0.80 0.00 0.00 0.00 0.00 0.00 32.46 32.15 1gh1 n ARG 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1gh1 n SER 40 N -0.17 2.00 -1.65 6.15 3.41 -1.26 -5.03 113.62 117.07 1gh1 n SER 40 Ca 0.00 -0.83 0.09 0.00 -0.26 0.00 0.00 58.87 57.87 1gh1 n SER 40 Cb 0.24 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.56 1gh1 n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gh1 n GLN 41 N 0.00 3.91 -0.06 4.33 6.02 -1.26 -3.94 117.38 126.38 1gh1 n GLN 41 Ca 0.00 -2.90 -0.10 0.00 -0.01 0.00 0.00 57.00 53.99 1gh1 n GLN 41 Cb 0.00 -1.96 -0.05 0.00 1.02 0.00 0.00 30.24 29.25 1gh1 n GLN 41 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1gh1 n SER 42 N 1.07 2.47 -0.06 1.08 7.64 -1.26 -4.15 113.62 120.41 1gh1 n SER 42 Ca 0.26 -0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.99 1gh1 n SER 42 Cb 0.94 -0.24 -0.06 0.00 -1.01 0.00 0.00 64.21 63.83 1gh1 n SER 42 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1gh1 h ASP 43 N -0.13 0.68 0.03 6.43 1.82 -1.95 -1.42 116.42 121.88 1gh1 h ASP 43 Ca -0.29 -0.56 -0.00 0.00 -0.39 0.00 0.00 57.03 55.79 1gh1 h ASP 43 Cb 1.38 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1gh1 h ASP 43 CO -0.09 1.11 -0.02 -0.09 -1.61 0.00 0.00 179.24 178.55 1gh1 h ARG 44 N 0.27 -0.04 -0.52 0.28 2.43 -1.84 -1.09 114.38 113.87 1gh1 h ARG 44 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1gh1 h ARG 44 Cb 1.00 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 1gh1 h ARG 44 CO 0.09 0.44 0.32 0.37 -1.51 0.00 0.00 179.97 179.67 1gh1 h GLN 45 N -0.55 0.70 0.22 0.20 4.15 -1.72 0.20 115.11 118.30 1gh1 h GLN 45 Ca -0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1gh1 h GLN 45 Cb 0.50 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1gh1 h GLN 45 CO 0.01 0.49 -0.10 0.77 -1.93 0.00 0.00 178.83 178.06 1gh1 h SER 46 N 0.71 -0.24 -0.77 -0.69 0.02 -1.15 -2.63 113.55 108.79 1gh1 h SER 46 Ca 0.19 -0.28 0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1gh1 h SER 46 Cb -0.03 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 1gh1 h SER 46 CO -0.04 0.23 0.50 0.00 -1.14 0.00 0.00 176.83 176.38 1gh1 h ALA 47 N -0.24 1.64 -0.89 3.77 0.00 -0.96 -1.23 119.26 121.35 1gh1 h ALA 47 Ca -0.03 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1gh1 h ALA 47 Cb 0.51 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1gh1 h ALA 47 CO 0.05 0.25 0.56 0.00 0.00 0.00 0.00 179.25 180.11 1gh1 h ASN 49 N 1.03 0.67 -0.22 0.00 2.35 -0.84 -1.39 115.58 117.17 1gh1 h ASN 49 Ca 0.39 -0.05 0.06 0.00 -0.55 0.00 0.00 56.30 56.14 1gh1 h ASN 49 Cb 0.16 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 38.29 1gh1 h ASN 49 CO -0.17 0.53 -0.28 0.00 -1.65 0.00 0.00 177.43 175.86 1gh1 h LEU 51 N -0.30 0.08 -0.20 0.00 4.07 -1.33 -1.31 115.31 116.32 1gh1 h LEU 51 Ca 0.13 -0.26 0.03 0.00 0.08 0.00 0.00 57.88 57.86 1gh1 h LEU 51 Cb 0.50 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.19 1gh1 h LEU 51 CO -0.40 0.32 -0.00 0.50 -1.08 0.00 0.00 178.44 177.78 1gh1 h LYS 52 N -0.17 0.06 -0.77 1.13 3.11 -0.93 0.31 116.57 119.30 1gh1 h LYS 52 Ca 0.01 -0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.87 1gh1 h LYS 52 Cb 0.27 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.45 1gh1 h LYS 52 CO 0.00 0.04 0.51 0.78 -2.81 0.00 0.00 179.45 177.97 1gh1 h GLY 53 N 0.06 1.10 0.26 5.01 0.00 -0.35 -1.38 103.07 107.76 1gh1 h GLY 53 Ca 0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1gh1 h GLY 53 CO -0.16 0.37 -0.12 -2.22 0.00 0.00 0.00 176.54 174.41 1gh1 h ILE 54 N 1.02 0.00 -1.14 2.60 2.04 -0.53 -3.17 117.51 118.33 1gh1 h ILE 54 Ca 0.29 -0.11 0.34 0.00 1.00 0.00 0.00 64.86 66.38 1gh1 h ILE 54 Cb -0.08 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.89 1gh1 h ILE 54 CO -0.08 0.00 0.73 0.00 0.00 0.00 0.00 178.15 178.80 1gh1 h ALA 55 N -1.73 2.40 0.00 1.87 0.00 -0.42 0.43 119.26 121.82 1gh1 h ALA 55 Ca -0.04 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1gh1 h ALA 55 Cb 0.26 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gh1 h ALA 55 CO 0.06 -0.92 -0.10 -0.09 0.00 0.00 0.00 179.25 178.21 1gh1 h ARG 56 N 0.26 0.00 -0.92 0.00 2.43 -1.24 -2.13 114.38 112.78 1gh1 h ARG 56 Ca 0.70 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 59.51 1gh1 h ARG 56 Cb 1.94 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 31.28 1gh1 h ARG 56 CO -0.37 0.10 0.45 0.41 -1.51 0.00 0.00 179.97 179.04 1gh1 n GLY 57 N -1.21 3.88 3.31 2.80 0.00 0.15 -4.90 105.19 109.23 1gh1 n GLY 57 Ca -0.03 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 1gh1 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gh1 s ILE 58 N -2.82 2.04 -0.19 -0.61 1.01 -0.80 -5.05 121.20 114.78 1gh1 s ILE 58 Ca 0.50 -1.20 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 1gh1 s ILE 58 Cb 0.41 -1.71 -0.11 0.00 0.01 0.00 0.00 42.46 41.06 1gh1 s ILE 58 CO 0.11 0.48 -0.08 1.57 0.00 0.00 0.00 174.94 177.02 1gh1 n HIS 59 N 2.20 0.72 -3.04 3.97 -0.00 -1.26 -4.61 115.22 113.19 1gh1 n HIS 59 Ca -0.16 0.31 -0.44 0.00 -0.00 0.00 0.00 57.72 57.43 1gh1 n HIS 59 Cb 0.52 -0.90 -0.00 0.00 -0.00 0.00 0.00 29.99 29.60 1gh1 n HIS 59 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1gh1 s ASN 60 N -6.44 7.07 -0.18 0.26 3.84 -1.26 -4.98 114.94 113.24 1gh1 s ASN 60 Ca -0.25 -3.01 -0.18 0.00 0.21 0.00 0.00 52.86 49.63 1gh1 s ASN 60 Cb 0.06 -2.35 -0.04 0.00 -0.55 0.00 0.00 41.25 38.37 1gh1 s ASN 60 CO 0.43 -0.68 0.48 -0.22 -2.79 0.00 0.00 177.10 174.32 1gh1 s LEU 61 N 1.05 4.18 -0.39 3.21 0.20 -1.26 -4.80 118.68 120.87 1gh1 s LEU 61 Ca 0.38 0.67 -0.12 0.00 0.69 0.00 0.00 54.13 55.76 1gh1 s LEU 61 Cb -0.05 -2.66 0.03 0.00 -0.43 0.00 0.00 46.19 43.08 1gh1 s LEU 61 CO -0.03 -0.12 0.23 0.21 -0.29 0.00 0.00 176.35 176.35 1gh1 s ASN 62 N 1.00 5.79 0.24 3.68 3.84 -1.15 -4.94 114.94 123.40 1gh1 s ASN 62 Ca 0.23 -1.04 0.04 0.00 0.21 0.00 0.00 52.86 52.30 1gh1 s ASN 62 Cb -0.15 -2.04 0.25 0.00 -0.55 0.00 0.00 41.25 38.76 1gh1 s ASN 62 CO 0.09 -0.42 1.57 -0.08 -2.79 0.00 0.00 177.10 175.47 1gh1 h GLU 63 N 8.47 0.28 -0.31 0.43 4.81 -1.89 -2.50 114.58 123.87 1gh1 h GLU 63 Ca -0.25 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 58.83 1gh1 h GLU 63 Cb 1.10 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1gh1 h GLU 63 CO 0.69 0.78 0.08 0.22 -0.73 0.00 0.00 179.01 180.05 1gh1 h ASP 64 N 0.21 0.06 0.14 1.04 3.58 -1.95 -0.10 116.42 119.41 1gh1 h ASP 64 Ca -0.00 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1gh1 h ASP 64 Cb 1.08 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1gh1 h ASP 64 CO 0.09 0.07 -0.07 0.78 -2.88 0.00 0.00 179.24 177.24 1gh1 h ASN 65 N 0.20 -0.16 -0.98 2.28 2.35 -1.86 -0.68 115.58 116.74 1gh1 h ASN 65 Ca 0.14 -0.36 0.21 0.00 -0.55 0.00 0.00 56.30 55.74 1gh1 h ASN 65 Cb 0.13 0.04 -0.11 0.00 0.05 0.00 0.00 38.32 38.43 1gh1 h ASN 65 CO -0.16 0.33 0.56 0.00 -1.65 0.00 0.00 177.43 176.51 1gh1 h ALA 66 N 0.04 1.65 0.00 -0.83 0.00 -1.32 0.48 119.26 119.28 1gh1 h ALA 66 Ca -0.02 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gh1 h ALA 66 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1gh1 h ALA 66 CO 0.03 -0.17 -0.16 -0.09 0.00 0.00 0.00 179.25 178.87 1gh1 h ARG 67 N 0.64 0.00 -0.00 0.00 2.43 -1.00 -3.22 114.38 113.22 1gh1 h ARG 67 Ca 0.59 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.76 1gh1 h ARG 67 Cb 1.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1gh1 h ARG 67 CO -0.43 0.16 -0.09 0.43 -1.51 0.00 0.00 179.97 178.52 1gh1 n SER 68 N -3.14 0.30 0.18 -3.80 7.64 0.16 -4.07 113.62 110.89 1gh1 n SER 68 Ca 0.03 -0.37 -0.09 0.00 1.01 0.00 0.00 58.87 59.45 1gh1 n SER 68 Cb 0.58 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.33 0.10 -0.58 0.44 2.04 -1.40 -3.27 117.51 115.16 1gh1 h ILE 69 Ca 0.00 -0.63 0.08 0.00 1.00 0.00 0.00 64.86 65.31 1gh1 h ILE 69 Cb 0.35 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 1gh1 h ILE 69 CO 0.00 0.02 0.23 1.55 0.00 0.00 0.00 178.15 179.95 1gh1 h PRO 70 N -1.12 0.41 0.50 2.37 0.13 -1.78 -2.18 132.00 130.34 1gh1 h PRO 70 Ca -0.05 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1gh1 h PRO 70 Cb 0.45 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.49 1gh1 h PRO 70 CO 0.09 0.27 -0.24 -1.00 -0.23 0.00 0.00 178.00 176.89 1gh1 h PRO 71 N 0.42 -0.65 -0.86 1.56 0.13 -1.74 0.12 132.00 130.99 1gh1 h PRO 71 Ca 0.29 0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.48 1gh1 h PRO 71 Cb 0.32 0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.56 1gh1 h PRO 71 CO -0.27 -0.41 0.57 1.57 -0.23 0.00 0.00 178.00 179.22 1gh1 h LYS 72 N -0.71 1.10 0.45 0.86 2.10 -1.60 -3.11 116.57 115.67 1gh1 h LYS 72 Ca -0.07 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.49 1gh1 h LYS 72 Cb 0.53 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1gh1 h LYS 72 CO 0.11 0.73 -0.22 0.00 -2.00 0.00 0.00 179.45 178.08 1gh1 n GLY 74 N -0.08 1.53 0.00 0.00 0.00 0.40 -5.01 105.19 102.04 1gh1 n GLY 74 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.37 0.06 -2.74 1.61 0.24 -1.18 -5.08 118.33 110.86 1gh1 n VAL 75 Ca 0.00 -0.04 -0.03 0.00 -2.04 0.00 0.00 64.34 62.23 1gh1 n VAL 75 Cb 0.00 -0.97 -0.02 0.00 -1.47 0.00 0.00 33.84 31.37 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 -2.03 -4.02 -4.87 -1.34 5.15 -1.24 -4.98 115.26 101.93 1gh1 n ASN 76 Ca -0.01 1.26 -0.31 0.00 -0.60 0.00 0.00 54.58 54.91 1gh1 n ASN 76 Cb 0.53 -4.55 -0.05 0.00 -0.53 0.00 0.00 39.78 35.18 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 -0.90 4.07 0.00 1.20 1.02 -1.26 -4.96 118.68 117.85 1gh1 s LEU 77 Ca -0.15 1.03 0.31 0.00 0.02 0.00 0.00 54.13 55.34 1gh1 s LEU 77 Cb 0.01 -3.83 1.66 0.00 0.02 0.00 0.00 46.19 44.05 1gh1 s LEU 77 CO 0.64 -0.17 2.10 -2.65 0.02 0.00 0.00 176.35 176.28 1gh1 n PRO 78 N -0.48 0.94 -3.64 1.29 -0.02 -1.26 -4.83 135.00 127.00 1gh1 n PRO 78 Ca 0.01 -0.14 -0.05 0.00 -2.02 0.00 0.00 63.50 61.31 1gh1 n PRO 78 Cb 0.53 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.45 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 -2.16 -0.52 0.00 6.00 1.13 -1.26 -4.53 117.35 116.01 1gh1 s TYR 79 Ca 0.41 1.11 0.00 0.00 -1.41 0.00 0.00 57.07 57.18 1gh1 s TYR 79 Cb 0.21 0.36 0.00 0.00 -1.10 0.00 0.00 41.96 41.43 1gh1 s TYR 79 CO 0.39 -0.25 0.00 -2.37 -2.51 0.00 0.00 175.55 170.81 1gh1 n THR 80 N 3.11 0.00 -2.13 -3.49 5.66 -1.26 -5.01 114.28 111.16 1gh1 n THR 80 Ca -0.16 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.41 1gh1 n THR 80 Cb 0.57 -0.04 0.00 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 3.84 -3.81 1.09 2.08 -1.26 -4.70 119.36 116.60 1gh1 n ILE 81 Ca 0.00 -3.70 -0.09 0.00 0.56 0.00 0.00 62.75 59.52 1gh1 n ILE 81 Cb 0.00 -2.49 0.03 0.00 -0.75 0.00 0.00 39.64 36.43 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 2.71 0.07 -0.22 4.38 0.15 -1.26 -4.86 113.70 114.67 1gh1 s SER 82 Ca 0.46 -1.22 0.11 0.00 0.70 0.00 0.00 55.95 55.99 1gh1 s SER 82 Cb 0.10 0.86 0.43 0.00 -1.71 0.00 0.00 66.02 65.70 1gh1 s SER 82 CO -0.03 -1.72 1.26 0.18 1.20 0.00 0.00 173.24 174.12 1gh1 n LEU 83 N -0.54 2.94 -1.14 3.45 4.77 -1.26 -4.70 117.00 120.51 1gh1 n LEU 83 Ca -0.09 -3.90 -0.05 0.00 -0.03 0.00 0.00 56.01 51.94 1gh1 n LEU 83 Cb 0.60 -0.55 0.14 0.00 -2.33 0.00 0.00 43.42 41.28 1gh1 n LEU 83 CO 0.28 1.40 0.30 0.59 -1.33 0.00 0.00 177.39 178.62 1gh1 n ASN 84 N -1.12 2.93 -3.89 -1.43 4.13 -1.26 -5.03 115.26 109.59 1gh1 n ASN 84 Ca 0.21 -3.85 -0.10 0.00 1.68 0.00 0.00 54.58 52.52 1gh1 n ASN 84 Cb 0.74 -0.46 -0.10 0.00 -1.54 0.00 0.00 39.78 38.43 1gh1 n ASN 84 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1gh1 s ILE 85 N -3.75 0.10 -0.32 2.41 -0.00 -1.26 -5.08 121.20 113.30 1gh1 s ILE 85 Ca 0.43 -0.86 0.03 0.00 -0.00 0.00 0.00 60.65 60.24 1gh1 s ILE 85 Cb 0.39 -0.64 0.09 0.00 -0.00 0.00 0.00 42.46 42.30 1gh1 s ILE 85 CO -0.03 -0.47 0.04 -1.81 -0.00 0.00 0.00 174.94 172.67 1gh1 s ASP 86 N -1.72 4.52 0.09 4.36 1.11 -1.26 -5.01 116.67 118.76 1gh1 s ASP 86 Ca -0.10 -1.92 -0.26 0.00 0.18 0.00 0.00 52.55 50.44 1gh1 s ASP 86 Cb -0.05 -1.42 -0.15 0.00 1.07 0.00 0.00 42.92 42.37 1gh1 s ASP 86 CO -0.01 -0.36 1.69 0.00 1.18 0.00 0.00 175.17 177.66 1gh1 n SER 88 N -5.25 0.00 -2.70 0.00 2.88 -1.26 -4.95 113.62 102.34 1gh1 n SER 88 Ca -0.09 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.43 1gh1 n SER 88 Cb 0.17 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.75 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 1.40 0.00 -1.46 0.63 -1.26 -5.19 116.66 110.78 1gh1 n ARG 89 Ca 0.00 -1.65 0.13 0.00 -0.92 0.00 0.00 57.85 55.41 1gh1 n ARG 89 Cb 0.00 0.05 0.75 0.00 0.45 0.00 0.00 32.46 33.71 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67