#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gh1 n ASP 2 N 0.00 0.00 -2.03 4.38 9.92 -1.26 -4.65 116.55 122.91 1gh1 n ASP 2 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1gh1 n ASP 2 Cb 0.00 -0.01 0.05 0.00 -0.64 0.00 0.00 41.12 40.52 1gh1 n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gh1 h GLY 4 N 0.48 0.35 0.00 0.00 0.00 -2.00 -3.30 103.07 98.61 1gh1 h GLY 4 Ca -0.21 -0.89 -0.28 0.00 0.00 0.00 0.00 47.33 45.95 1gh1 h GLY 4 CO -0.08 0.78 -2.07 1.57 0.00 0.00 0.00 176.54 176.74 1gh1 n HIS 5 N -3.66 0.00 -0.18 5.60 -0.00 -1.26 -4.49 115.22 111.24 1gh1 n HIS 5 Ca -0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.38 1gh1 n HIS 5 Cb 1.01 -0.76 0.09 0.00 -0.00 0.00 0.00 29.99 30.33 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 0.00 1.26 -0.78 3.57 2.07 -1.92 -2.65 116.25 117.80 1gh1 h VAL 6 Ca -0.42 -1.05 0.16 0.00 0.82 0.00 0.00 66.70 66.21 1gh1 h VAL 6 Cb 1.92 0.77 -0.10 0.00 -1.52 0.00 0.00 31.29 32.35 1gh1 h VAL 6 CO 0.01 0.38 0.30 -0.78 0.02 0.00 0.00 177.57 177.50 1gh1 h ASP 7 N 0.90 0.24 1.53 0.57 3.58 -1.79 0.77 116.42 122.22 1gh1 h ASP 7 Ca 0.17 0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.68 1gh1 h ASP 7 Cb 0.47 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1gh1 h ASP 7 CO 0.02 0.06 -0.33 -1.28 -2.88 0.00 0.00 179.24 174.83 1gh1 h SER 8 N 0.41 0.00 0.01 2.28 0.87 -1.77 -2.40 113.55 112.95 1gh1 h SER 8 Ca 0.44 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.74 1gh1 h SER 8 Cb 0.73 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.71 1gh1 h SER 8 CO -0.45 0.33 -1.02 -0.07 -0.53 0.00 0.00 176.83 175.09 1gh1 h LEU 9 N 0.00 0.91 0.00 2.23 3.38 -0.58 -3.29 115.31 117.96 1gh1 h LEU 9 Ca -0.00 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 57.23 1gh1 h LEU 9 Cb 1.18 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1gh1 h LEU 9 CO 0.04 1.52 -0.58 -0.37 0.09 0.00 0.00 178.44 179.14 1gh1 h VAL 10 N 0.40 0.12 -0.45 1.22 -1.51 -1.09 -3.38 116.25 111.56 1gh1 h VAL 10 Ca -0.12 -1.19 0.07 0.00 -1.23 0.00 0.00 66.70 64.23 1gh1 h VAL 10 Cb 1.68 1.83 -0.06 0.00 -2.13 0.00 0.00 31.29 32.61 1gh1 h VAL 10 CO 0.20 0.07 0.11 0.03 -1.23 0.00 0.00 177.57 176.75 1gh1 h ARG 11 N 0.00 0.25 -0.57 5.19 -0.00 -1.49 -2.60 114.38 115.16 1gh1 h ARG 11 Ca -0.01 -0.01 0.09 0.00 -0.50 0.00 0.00 59.98 59.54 1gh1 h ARG 11 Cb 1.08 -0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.96 1gh1 h ARG 11 CO 0.01 0.16 0.38 -1.00 0.00 0.00 0.00 179.97 179.52 1gh1 h PRO 12 N 0.26 0.39 0.00 0.04 0.13 -1.73 -2.24 132.00 128.85 1gh1 h PRO 12 Ca 0.22 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.22 1gh1 h PRO 12 Cb 0.26 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1gh1 h PRO 12 CO -0.26 0.26 -0.47 0.00 -0.23 0.00 0.00 178.00 177.30 1gh1 h LEU 14 N 0.00 0.38 -1.94 0.00 4.07 -1.19 -2.78 115.31 113.86 1gh1 h LEU 14 Ca -0.00 -0.10 0.07 0.00 0.08 0.00 0.00 57.88 57.92 1gh1 h LEU 14 Cb 1.34 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 1gh1 h LEU 14 CO 0.06 0.58 0.42 0.28 -1.08 0.00 0.00 178.44 178.70 1gh1 h SER 15 N 0.36 0.00 0.03 -0.43 0.02 -1.57 -1.67 113.55 110.29 1gh1 h SER 15 Ca 0.06 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.67 1gh1 h SER 15 Cb 0.53 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1gh1 h SER 15 CO 0.03 0.00 -1.95 0.00 -1.14 0.00 0.00 176.83 173.78 1gh1 n TYR 16 N -3.34 0.68 0.01 3.45 9.36 -1.06 -3.96 117.16 122.30 1gh1 n TYR 16 Ca 0.04 0.22 0.20 0.00 3.32 0.00 0.00 57.90 61.68 1gh1 n TYR 16 Cb 0.54 -1.08 0.70 0.00 -0.63 0.00 0.00 39.34 38.88 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 0.69 0.00 2.97 2.07 -1.28 0.71 116.25 120.83 1gh1 h VAL 17 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1gh1 h VAL 17 Cb 1.65 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1gh1 h VAL 17 CO -0.17 0.00 0.00 0.06 0.02 0.00 0.00 177.57 177.48 1gh1 h GLN 18 N 0.00 0.00 -0.08 1.57 3.07 -1.51 -3.07 115.11 115.09 1gh1 h GLN 18 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 1gh1 h GLN 18 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.57 1gh1 h GLN 18 CO -0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.33 1gh1 n GLY 19 N -0.37 0.81 0.82 0.06 0.00 0.24 -4.82 105.19 101.93 1gh1 n GLY 19 Ca -0.00 -0.03 -0.05 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 -0.04 3.78 3.73 -0.02 0.00 -1.23 -5.10 105.19 106.32 1gh1 n GLY 20 Ca 0.00 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.36 4.38 0.00 1.61 0.04 -1.26 -4.63 135.00 132.78 1gh1 s PRO 21 Ca 0.09 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1gh1 s PRO 21 Cb 0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1gh1 s PRO 21 CO 0.06 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1gh1 n GLY 22 N 2.73 -0.61 0.13 0.56 0.00 -1.26 -4.60 105.19 102.13 1gh1 n GLY 22 Ca 0.08 -1.07 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.28 0.00 1.61 0.13 -1.88 -3.46 132.00 128.13 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 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1gh1 h PRO 23 CO 0.00 -0.18 0.00 -1.13 -0.23 0.00 0.00 178.00 176.46 1gh1 n SER 24 N -3.71 0.00 0.00 1.44 3.41 -1.25 -4.67 113.62 108.84 1gh1 n SER 24 Ca -0.04 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.65 1gh1 n SER 24 Cb 0.11 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.45 -0.80 0.07 5.00 0.00 -1.26 -1.72 105.19 106.04 1gh1 n GLY 25 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.29 0.65 -0.36 1.61 1.13 -1.26 -3.92 117.38 113.94 1gh1 n GLN 26 Ca 0.07 0.02 0.07 0.00 -1.94 0.00 0.00 57.00 55.22 1gh1 n GLN 26 Cb 0.12 -1.64 0.24 0.00 0.11 0.00 0.00 30.24 29.07 1gh1 n GLN 26 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1gh1 h ASP 29 N -0.62 0.37 0.74 0.00 1.82 -1.67 0.38 116.42 117.43 1gh1 h ASP 29 Ca 0.00 0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1gh1 h ASP 29 Cb 0.08 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.08 1gh1 h ASP 29 CO 0.00 0.23 -0.39 1.23 -1.61 0.00 0.00 179.24 178.70 1gh1 h GLY 30 N 0.52 -1.11 1.55 -0.78 0.00 0.94 -1.45 103.07 102.74 1gh1 h GLY 30 Ca 0.30 0.43 -0.14 0.00 0.00 0.00 0.00 47.33 47.92 1gh1 h GLY 30 CO -0.24 -0.40 -0.46 -2.08 0.00 0.00 0.00 176.54 173.36 1gh1 h VAL 31 N -1.05 1.31 -0.54 4.60 2.07 -1.18 -2.40 116.25 119.06 1gh1 h VAL 31 Ca -0.10 -1.66 0.07 0.00 0.82 0.00 0.00 66.70 65.83 1gh1 h VAL 31 Cb 0.82 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 1gh1 h VAL 31 CO 0.14 0.52 0.23 0.50 0.02 0.00 0.00 177.57 178.97 1gh1 h LYS 32 N 0.40 0.42 -0.28 1.57 3.11 -0.18 0.19 116.57 121.80 1gh1 h LYS 32 Ca 0.02 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1gh1 h LYS 32 Cb 0.96 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.09 1gh1 h LYS 32 CO 0.08 0.28 0.05 -0.91 -2.81 0.00 0.00 179.45 176.15 1gh1 h ASN 33 N 0.44 0.44 0.40 4.20 2.35 -1.07 -1.52 115.58 120.82 1gh1 h ASN 33 Ca 0.26 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1gh1 h ASN 33 Cb 0.25 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1gh1 h ASN 33 CO -0.23 0.58 -0.21 0.25 -1.65 0.00 0.00 177.43 176.17 1gh1 h LEU 34 N 0.28 -0.52 -0.31 1.61 6.46 -0.84 -0.42 115.31 121.57 1gh1 h LEU 34 Ca 0.09 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.94 1gh1 h LEU 34 Cb 0.32 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.32 1gh1 h LEU 34 CO 0.00 -0.35 -0.37 -0.74 -0.62 0.00 0.00 178.44 176.36 1gh1 h HIS 35 N -0.57 -1.04 -0.95 1.25 2.76 -0.61 0.12 115.15 116.11 1gh1 h HIS 35 Ca -0.05 0.06 0.11 0.00 -2.20 0.00 0.00 60.37 58.29 1gh1 h HIS 35 Cb 0.45 0.50 -0.07 0.00 1.55 0.00 0.00 27.41 29.84 1gh1 h HIS 35 CO -0.07 -0.42 0.61 -0.97 -1.30 0.00 0.00 177.93 175.78 1gh1 h ASN 36 N -0.34 0.86 -0.53 3.26 -0.00 -1.14 -1.28 115.58 116.41 1gh1 h ASN 36 Ca 0.13 0.03 -0.08 0.00 -0.00 0.00 0.00 56.30 56.39 1gh1 h ASN 36 Cb 0.57 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.72 1gh1 h ASN 36 CO -0.50 0.48 0.03 1.56 -0.00 0.00 0.00 177.43 179.01 1gh1 h GLN 37 N 0.94 0.96 -5.69 6.67 4.20 0.91 -3.40 115.11 119.70 1gh1 h GLN 37 Ca 0.46 -0.27 -0.29 0.00 0.06 0.00 0.00 58.65 58.61 1gh1 h GLN 37 Cb 0.46 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1gh1 h GLN 37 CO -0.22 0.92 0.78 0.00 -0.67 0.00 0.00 178.83 179.65 1gh1 s ALA 38 N -5.06 1.56 -0.23 3.87 0.00 -0.08 -4.71 121.76 117.11 1gh1 s ALA 38 Ca -0.11 -1.09 0.22 0.00 0.00 0.00 0.00 51.96 50.99 1gh1 s ALA 38 Cb 0.14 -4.50 -0.15 0.00 0.00 0.00 0.00 23.12 18.61 1gh1 s ALA 38 CO 0.83 -4.83 0.78 -2.13 0.00 0.00 0.00 175.76 170.41 1gh1 n ARG 39 N 8.93 0.56 -4.33 0.00 0.00 -1.26 -4.90 116.66 115.65 1gh1 n ARG 39 Ca 0.37 -0.05 -0.17 0.00 -0.00 0.00 0.00 57.85 58.00 1gh1 n ARG 39 Cb 0.48 -1.64 -0.10 0.00 0.00 0.00 0.00 32.46 31.20 1gh1 n ARG 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1gh1 s SER 40 N -4.66 2.02 0.41 6.15 0.01 -1.26 -5.03 113.70 111.34 1gh1 s SER 40 Ca -0.03 -1.16 0.15 0.00 1.31 0.00 0.00 55.95 56.22 1gh1 s SER 40 Cb 0.13 -0.03 1.00 0.00 0.21 0.00 0.00 66.02 67.33 1gh1 s SER 40 CO 0.85 -0.43 1.89 1.56 0.41 0.00 0.00 173.24 177.52 1gh1 h GLN 41 N 2.51 0.47 -0.99 12.44 4.20 -1.95 -0.40 115.11 131.38 1gh1 h GLN 41 Ca -0.38 -0.03 0.18 0.00 0.06 0.00 0.00 58.65 58.48 1gh1 h GLN 41 Cb 1.22 -0.11 -0.10 0.00 0.30 0.00 0.00 27.48 28.80 1gh1 h GLN 41 CO 0.65 0.31 0.61 0.77 -0.67 0.00 0.00 178.83 180.50 1gh1 h SER 42 N 0.48 0.76 1.38 1.46 0.02 -1.99 0.36 113.55 116.03 1gh1 h SER 42 Ca 0.42 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.43 1gh1 h SER 42 Cb 0.91 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1gh1 h SER 42 CO -0.16 0.30 -0.63 -0.78 -1.14 0.00 0.00 176.83 174.43 1gh1 h ASP 43 N 0.76 0.00 0.23 3.07 3.58 -1.45 -2.79 116.42 119.82 1gh1 h ASP 43 Ca 0.55 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.69 1gh1 h ASP 43 Cb 0.86 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.94 1gh1 h ASP 43 CO -0.33 0.08 -1.33 0.03 -2.88 0.00 0.00 179.24 174.81 1gh1 h ARG 44 N 0.00 0.50 -0.10 0.28 3.08 -0.72 -2.95 114.38 114.47 1gh1 h ARG 44 Ca -0.01 -0.84 -0.21 0.00 0.07 0.00 0.00 59.98 58.98 1gh1 h ARG 44 Cb 1.08 0.31 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1gh1 h ARG 44 CO 0.01 1.40 -0.80 1.96 -1.07 0.00 0.00 179.97 181.47 1gh1 h GLN 45 N 0.04 0.61 0.78 0.04 4.20 -0.49 -2.79 115.11 117.50 1gh1 h GLN 45 Ca -0.23 -0.52 -0.04 0.00 0.06 0.00 0.00 58.65 57.92 1gh1 h GLN 45 Cb 2.05 0.12 0.01 0.00 0.30 0.00 0.00 27.48 29.96 1gh1 h GLN 45 CO 0.25 1.14 -0.38 0.77 -0.67 0.00 0.00 178.83 179.95 1gh1 h SER 46 N 0.41 -0.89 -0.33 1.46 0.02 -1.59 -2.46 113.55 110.16 1gh1 h SER 46 Ca -0.05 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1gh1 h SER 46 Cb 1.41 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.17 1gh1 h SER 46 CO 0.15 -0.54 0.32 0.00 -1.14 0.00 0.00 176.83 175.62 1gh1 h ALA 47 N -1.17 2.08 -0.04 3.77 0.00 -1.62 -0.22 119.26 122.06 1gh1 h ALA 47 Ca -0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1gh1 h ALA 47 Cb 0.82 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1gh1 h ALA 47 CO 0.18 -0.49 0.01 0.00 0.00 0.00 0.00 179.25 178.95 1gh1 h ASN 49 N -0.18 0.65 0.33 0.00 2.35 -0.58 0.33 115.58 118.48 1gh1 h ASN 49 Ca 0.01 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1gh1 h ASN 49 Cb 0.27 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1gh1 h ASN 49 CO 0.00 0.27 -0.23 0.00 -1.65 0.00 0.00 177.43 175.82 1gh1 h LEU 51 N -0.53 0.74 -0.17 0.00 8.10 -1.40 -2.53 115.31 119.52 1gh1 h LEU 51 Ca -0.04 -0.23 -0.08 0.00 0.11 0.00 0.00 57.88 57.63 1gh1 h LEU 51 Cb 0.44 -0.20 -0.00 0.00 -0.44 0.00 0.00 40.66 40.45 1gh1 h LEU 51 CO 0.02 0.89 -0.22 0.50 -4.11 0.00 0.00 178.44 175.52 1gh1 h LYS 52 N 0.67 0.45 -0.94 0.17 3.64 -0.34 -1.87 116.57 118.35 1gh1 h LYS 52 Ca 0.11 -0.26 0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1gh1 h LYS 52 Cb 0.61 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 1gh1 h LYS 52 CO 0.04 0.84 0.61 0.78 -2.27 0.00 0.00 179.45 179.45 1gh1 h GLY 53 N 0.09 1.42 0.41 5.01 0.00 0.19 -2.00 103.07 108.20 1gh1 h GLY 53 Ca 0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1gh1 h GLY 53 CO 0.05 0.25 -0.20 -2.22 0.00 0.00 0.00 176.54 174.42 1gh1 h ILE 54 N 1.00 0.00 -1.07 2.60 2.04 -1.32 -3.24 117.51 117.52 1gh1 h ILE 54 Ca 0.43 -0.32 0.32 0.00 1.00 0.00 0.00 64.86 66.30 1gh1 h ILE 54 Cb 0.33 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.28 1gh1 h ILE 54 CO -0.19 0.00 0.65 0.00 0.00 0.00 0.00 178.15 178.61 1gh1 h ALA 55 N -1.43 2.15 -0.34 1.87 0.00 -1.22 0.31 119.26 120.61 1gh1 h ALA 55 Ca -0.06 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1gh1 h ALA 55 Cb 0.42 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1gh1 h ALA 55 CO 0.09 -0.71 0.33 -0.09 0.00 0.00 0.00 179.25 178.87 1gh1 h ARG 56 N 0.32 0.00 0.00 0.00 1.12 -1.39 -1.14 114.38 113.30 1gh1 h ARG 56 Ca 0.71 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 59.53 1gh1 h ARG 56 Cb 1.77 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.72 1gh1 h ARG 56 CO -0.49 0.00 -1.87 0.41 -3.11 0.00 0.00 179.97 174.91 1gh1 n GLY 57 N -1.48 -1.08 0.22 2.80 0.00 0.11 -4.32 105.19 101.44 1gh1 n GLY 57 Ca 0.05 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 1gh1 n GLY 57 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1gh1 h ILE 58 N 0.00 1.28 0.00 -0.61 2.04 -0.97 -3.46 117.51 115.79 1gh1 h ILE 58 Ca -0.08 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.84 1gh1 h ILE 58 Cb 1.19 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1gh1 h ILE 58 CO 0.01 0.62 0.00 1.57 0.00 0.00 0.00 178.15 180.34 1gh1 n HIS 59 N -3.94 0.00 -3.19 1.37 -0.00 -0.94 -4.67 115.22 103.85 1gh1 n HIS 59 Ca -0.07 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.20 1gh1 n HIS 59 Cb 0.72 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.70 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 0.00 7.05 0.10 0.26 2.47 -1.26 -5.02 114.94 118.54 1gh1 s ASN 60 Ca 0.00 -3.06 0.02 0.00 0.42 0.00 0.00 52.86 50.25 1gh1 s ASN 60 Cb 0.00 -2.28 -0.04 0.00 -1.45 0.00 0.00 41.25 37.48 1gh1 s ASN 60 CO 0.00 -0.56 0.17 -0.22 -3.72 0.00 0.00 177.10 172.77 1gh1 s LEU 61 N 0.23 4.08 -0.67 3.21 0.20 -1.26 -5.04 118.68 119.43 1gh1 s LEU 61 Ca 0.31 0.10 -0.16 0.00 0.69 0.00 0.00 54.13 55.07 1gh1 s LEU 61 Cb -0.08 -2.71 0.16 0.00 -0.43 0.00 0.00 46.19 43.13 1gh1 s LEU 61 CO -0.07 0.14 0.67 0.21 -0.29 0.00 0.00 176.35 177.01 1gh1 s ASN 62 N -2.67 6.41 0.29 3.68 2.47 -1.16 -4.88 114.94 119.08 1gh1 s ASN 62 Ca 0.32 -2.05 -0.00 0.00 0.42 0.00 0.00 52.86 51.55 1gh1 s ASN 62 Cb -0.12 -2.24 0.50 0.00 -1.45 0.00 0.00 41.25 37.94 1gh1 s ASN 62 CO 0.25 -0.82 1.91 1.05 -3.72 0.00 0.00 177.10 175.77 1gh1 h GLU 63 N 8.56 1.04 -0.60 0.43 4.11 -1.92 -2.14 114.58 124.06 1gh1 h GLU 63 Ca -0.13 -0.06 0.12 0.00 0.07 0.00 0.00 59.36 59.36 1gh1 h GLU 63 Cb 1.07 -0.23 -0.11 0.00 0.50 0.00 0.00 28.75 29.98 1gh1 h GLU 63 CO 0.96 0.69 -0.11 0.22 0.07 0.00 0.00 179.01 180.83 1gh1 h ASP 64 N 1.07 -0.48 0.03 3.06 3.58 -1.94 0.31 116.42 122.05 1gh1 h ASP 64 Ca 0.40 0.17 -0.16 0.00 0.42 0.00 0.00 57.03 57.86 1gh1 h ASP 64 Cb 0.18 0.35 0.01 0.00 1.72 0.00 0.00 39.33 41.59 1gh1 h ASP 64 CO -0.15 -0.18 -0.66 0.78 -2.88 0.00 0.00 179.24 176.15 1gh1 h ASN 65 N 0.03 0.52 -0.95 2.28 2.35 -1.77 -2.45 115.58 115.59 1gh1 h ASN 65 Ca 0.30 -0.81 0.20 0.00 -0.55 0.00 0.00 56.30 55.44 1gh1 h ASN 65 Cb 0.46 -0.16 -0.11 0.00 0.05 0.00 0.00 38.32 38.56 1gh1 h ASN 65 CO -0.59 1.27 0.53 0.00 -1.65 0.00 0.00 177.43 176.99 1gh1 h ALA 66 N 0.26 1.58 0.00 -0.83 0.00 -0.79 0.52 119.26 120.00 1gh1 h ALA 66 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gh1 h ALA 66 Cb 1.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1gh1 h ALA 66 CO 0.13 -0.17 -0.13 0.00 0.00 0.00 0.00 179.25 179.09 1gh1 h ARG 67 N 0.62 0.00 -0.01 0.00 3.08 -0.99 -3.18 114.38 113.91 1gh1 h ARG 67 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.62 1gh1 h ARG 67 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1gh1 h ARG 67 CO -0.43 0.00 -0.04 0.43 -1.07 0.00 0.00 179.97 178.87 1gh1 n SER 68 N -2.45 1.00 -0.01 7.04 7.64 0.17 -4.19 113.62 122.82 1gh1 n SER 68 Ca 0.05 -1.22 -0.01 0.00 1.01 0.00 0.00 58.87 58.69 1gh1 n SER 68 Cb 0.46 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.66 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 1.51 0.00 -0.83 0.44 2.04 -1.33 -3.33 117.51 116.01 1gh1 h ILE 69 Ca 0.00 -0.84 0.08 0.00 1.00 0.00 0.00 64.86 65.10 1gh1 h ILE 69 Cb 0.37 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.38 1gh1 h ILE 69 CO 0.00 0.00 0.49 1.55 0.00 0.00 0.00 178.15 180.19 1gh1 h PRO 70 N -0.91 0.84 0.86 2.37 0.13 -1.76 -2.55 132.00 130.97 1gh1 h PRO 70 Ca -0.01 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1gh1 h PRO 70 Cb 0.06 -0.19 0.01 0.00 0.13 0.00 0.00 31.00 31.01 1gh1 h PRO 70 CO 0.01 0.56 -0.41 -1.00 -0.23 0.00 0.00 178.00 176.93 1gh1 h PRO 71 N 0.87 -1.11 -0.89 1.56 0.13 -1.75 -1.38 132.00 129.42 1gh1 h PRO 71 Ca 0.38 0.08 0.11 0.00 -0.87 0.00 0.00 66.00 65.69 1gh1 h PRO 71 Cb 0.25 0.25 -0.08 0.00 0.13 0.00 0.00 31.00 31.56 1gh1 h PRO 71 CO -0.20 -0.73 0.53 1.57 -0.23 0.00 0.00 178.00 178.93 1gh1 h LYS 72 N -1.26 0.83 0.13 0.86 2.10 -1.67 -2.33 116.57 115.24 1gh1 h LYS 72 Ca -0.12 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.48 1gh1 h LYS 72 Cb 0.89 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1gh1 h LYS 72 CO 0.19 0.55 -0.06 0.00 -2.00 0.00 0.00 179.45 178.13 1gh1 n GLY 74 N -1.10 1.09 0.00 0.00 0.00 -0.54 -5.00 105.19 99.63 1gh1 n GLY 74 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1gh1 n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gh1 n VAL 75 N -0.44 0.00 -3.24 1.61 0.31 -1.06 -5.08 118.33 110.43 1gh1 n VAL 75 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1gh1 n VAL 75 Cb 0.06 -0.57 0.01 0.00 -0.91 0.00 0.00 33.84 32.43 1gh1 n VAL 75 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1gh1 n ASN 76 N -2.29 -6.80 -4.77 4.52 5.15 -1.14 -4.96 115.26 104.96 1gh1 n ASN 76 Ca 0.00 -0.10 -0.31 0.00 -0.60 0.00 0.00 54.58 53.56 1gh1 n ASN 76 Cb 0.46 -3.90 0.08 0.00 -0.53 0.00 0.00 39.78 35.89 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 -3.53 3.10 0.00 1.20 1.02 -1.26 -4.92 118.68 114.29 1gh1 s LEU 77 Ca 0.14 1.82 0.29 0.00 0.02 0.00 0.00 54.13 56.41 1gh1 s LEU 77 Cb -0.03 -4.52 1.31 0.00 0.02 0.00 0.00 46.19 42.97 1gh1 s LEU 77 CO 0.81 -1.90 1.90 -0.81 0.02 0.00 0.00 176.35 176.37 1gh1 n PRO 78 N -3.30 1.10 -3.45 1.29 -0.04 -1.26 -4.90 135.00 124.43 1gh1 n PRO 78 Ca 0.09 -0.43 -0.11 0.00 -0.04 0.00 0.00 63.50 63.01 1gh1 n PRO 78 Cb 0.53 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.20 -0.48 0.20 0.54 -0.85 -1.26 -4.69 117.35 108.61 1gh1 s TYR 79 Ca 0.36 0.32 -0.00 0.00 -0.52 0.00 0.00 57.07 57.23 1gh1 s TYR 79 Cb 0.21 0.55 0.00 0.00 0.38 0.00 0.00 41.96 43.10 1gh1 s TYR 79 CO 0.41 -0.73 0.26 -2.37 -1.52 0.00 0.00 175.55 171.59 1gh1 n THR 80 N -0.28 0.00 -1.40 -3.49 5.66 -1.26 -5.02 114.28 108.48 1gh1 n THR 80 Ca -0.14 -1.05 -0.42 0.00 -3.05 0.00 0.00 64.05 59.39 1gh1 n THR 80 Cb 0.64 0.63 -0.03 0.00 -1.55 0.00 0.00 70.33 70.02 1gh1 n THR 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gh1 n ILE 81 N -0.33 2.68 -3.81 1.09 0.13 -1.26 -4.73 119.36 113.11 1gh1 n ILE 81 Ca 0.01 -2.27 -0.10 0.00 -1.10 0.00 0.00 62.75 59.29 1gh1 n ILE 81 Cb 0.33 -2.46 -0.05 0.00 -0.84 0.00 0.00 39.64 36.63 1gh1 n ILE 81 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1gh1 s SER 82 N 4.02 -0.14 -0.81 9.51 0.15 -1.26 -4.90 113.70 120.26 1gh1 s SER 82 Ca 0.52 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1gh1 s SER 82 Cb 0.14 0.52 0.35 0.00 -1.71 0.00 0.00 66.02 65.32 1gh1 s SER 82 CO 0.01 -0.98 1.66 0.18 1.20 0.00 0.00 173.24 175.30 1gh1 n LEU 83 N -0.29 6.58 0.03 3.45 4.77 -1.26 -4.59 117.00 125.70 1gh1 n LEU 83 Ca -0.09 -5.21 0.00 0.00 -0.03 0.00 0.00 56.01 50.67 1gh1 n LEU 83 Cb 0.63 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1gh1 n LEU 83 CO 0.20 2.02 -0.22 -3.20 -1.33 0.00 0.00 177.39 174.86 1gh1 n ASN 84 N -0.32 0.52 -4.64 -1.43 4.05 -1.26 -5.07 115.26 107.10 1gh1 n ASN 84 Ca 0.46 0.09 -0.31 0.00 0.45 0.00 0.00 54.58 55.27 1gh1 n ASN 84 Cb 0.33 -0.14 0.18 0.00 1.23 0.00 0.00 39.78 41.38 1gh1 n ASN 84 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1gh1 s ILE 85 N -2.00 2.02 -0.52 -1.44 -5.25 -1.26 -5.01 121.20 107.75 1gh1 s ILE 85 Ca 0.00 0.01 0.04 0.00 -0.99 0.00 0.00 60.65 59.70 1gh1 s ILE 85 Cb 0.00 -2.02 0.13 0.00 2.95 0.00 0.00 42.46 43.53 1gh1 s ILE 85 CO 0.00 -0.01 0.27 -0.62 -1.79 0.00 0.00 174.94 172.79 1gh1 s ASP 86 N -2.62 4.21 0.00 4.36 2.15 -1.26 -4.95 116.67 118.56 1gh1 s ASP 86 Ca 0.67 -3.01 0.03 0.00 0.43 0.00 0.00 52.55 50.67 1gh1 s ASP 86 Cb -0.23 -1.52 0.12 0.00 -0.30 0.00 0.00 42.92 40.98 1gh1 s ASP 86 CO 0.59 -0.23 1.00 0.00 -0.17 0.00 0.00 175.17 176.36 1gh1 n SER 88 N -1.40 0.23 -2.72 0.00 7.64 -1.26 -3.99 113.62 112.13 1gh1 n SER 88 Ca 0.01 -0.07 -0.06 0.00 1.01 0.00 0.00 58.87 59.76 1gh1 n SER 88 Cb 0.03 -0.20 0.04 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.30 1.61 0.00 1.43 0.00 -0.38 -5.20 116.66 112.83 1gh1 n ARG 89 Ca 0.10 -3.46 0.09 0.00 -0.00 0.00 0.00 57.85 54.58 1gh1 n ARG 89 Cb 0.30 -1.50 0.07 0.00 0.00 0.00 0.00 32.46 31.34 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96