#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 7.35 -3.55 4.38 9.92 -1.26 -4.82 116.55 128.57 1gh1 n ASP 2 Ca 0.00 -3.68 -0.23 0.00 -0.53 0.00 0.00 54.79 50.35 1gh1 n ASP 2 Cb 0.00 -1.07 0.03 0.00 -0.64 0.00 0.00 41.12 39.44 1gh1 n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gh1 n GLY 4 N -1.66 -0.05 0.10 0.00 0.00 -1.26 -4.70 105.19 97.62 1gh1 n GLY 4 Ca -0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1gh1 n GLY 4 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1gh1 n HIS 5 N -2.88 0.13 -0.10 1.61 -0.00 -1.26 -4.32 115.22 108.40 1gh1 n HIS 5 Ca -0.06 0.04 0.08 0.00 -0.00 0.00 0.00 57.72 57.78 1gh1 n HIS 5 Cb 0.56 -1.02 0.43 0.00 -0.00 0.00 0.00 29.99 29.95 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 0.98 0.24 3.57 2.07 -1.98 -2.69 116.25 118.45 1gh1 h VAL 6 Ca -0.52 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1gh1 h VAL 6 Cb 2.17 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 1gh1 h VAL 6 CO 0.02 0.10 -0.38 0.44 0.02 0.00 0.00 177.57 177.77 1gh1 h ASP 7 N 0.56 -1.08 0.45 0.57 5.19 -1.84 -1.60 116.42 118.67 1gh1 h ASP 7 Ca 0.27 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.78 1gh1 h ASP 7 Cb 0.33 0.39 -0.00 0.00 0.18 0.00 0.00 39.33 40.22 1gh1 h ASP 7 CO -0.08 -0.49 -0.03 -1.28 -3.12 0.00 0.00 179.24 174.24 1gh1 h SER 8 N -0.70 0.00 -0.05 6.45 0.87 -1.73 0.65 113.55 119.05 1gh1 h SER 8 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1gh1 h SER 8 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1gh1 h SER 8 CO -0.15 0.03 -0.27 -0.07 -0.53 0.00 0.00 176.83 175.84 1gh1 h LEU 9 N 0.00 0.33 0.00 2.23 3.38 -1.00 -3.28 115.31 116.97 1gh1 h LEU 9 Ca -0.00 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1gh1 h LEU 9 Cb 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1gh1 h LEU 9 CO 0.00 0.94 -0.58 0.58 0.09 0.00 0.00 178.44 179.48 1gh1 h VAL 10 N -0.27 0.00 -0.56 1.22 2.07 -1.18 -3.38 116.25 114.16 1gh1 h VAL 10 Ca -0.02 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.01 1gh1 h VAL 10 Cb 0.94 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 1gh1 h VAL 10 CO 0.06 0.00 0.09 -0.09 0.02 0.00 0.00 177.57 177.64 1gh1 h ARG 11 N 0.00 0.21 -0.04 1.57 9.65 -0.92 -0.64 114.38 124.20 1gh1 h ARG 11 Ca 0.00 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1gh1 h ARG 11 Cb 0.79 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1gh1 h ARG 11 CO 0.00 0.14 0.05 -1.00 2.80 0.00 0.00 179.97 181.96 1gh1 h PRO 12 N 0.21 0.00 0.00 0.20 0.13 -1.73 -1.98 132.00 128.84 1gh1 h PRO 12 Ca 0.29 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.37 1gh1 h PRO 12 Cb 0.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1gh1 h PRO 12 CO -0.40 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 177.15 1gh1 h LEU 14 N 0.00 0.23 -2.06 0.00 3.38 -1.26 -2.55 115.31 113.05 1gh1 h LEU 14 Ca -0.00 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1gh1 h LEU 14 Cb 1.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1gh1 h LEU 14 CO 0.03 0.33 0.34 0.28 0.09 0.00 0.00 178.44 179.51 1gh1 h SER 15 N 0.25 0.00 0.02 -0.43 0.02 -1.66 -1.36 113.55 110.38 1gh1 h SER 15 Ca 0.05 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.61 1gh1 h SER 15 Cb 0.27 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 1gh1 h SER 15 CO 0.01 0.00 -2.29 0.00 -1.14 0.00 0.00 176.83 173.41 1gh1 n TYR 16 N -3.26 0.33 -0.16 3.45 9.36 -0.97 -4.03 117.16 121.88 1gh1 n TYR 16 Ca 0.01 0.09 0.19 0.00 3.32 0.00 0.00 57.90 61.51 1gh1 n TYR 16 Cb 0.44 -1.04 0.56 0.00 -0.63 0.00 0.00 39.34 38.67 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 -0.38 0.73 0.00 2.97 2.07 -1.24 -0.30 116.25 120.10 1gh1 h VAL 17 Ca -0.57 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1gh1 h VAL 17 Cb 1.78 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1gh1 h VAL 17 CO -0.17 0.05 -0.06 0.06 0.02 0.00 0.00 177.57 177.48 1gh1 h GLN 18 N 0.30 0.00 0.00 1.57 3.07 -1.47 -3.08 115.11 115.50 1gh1 h GLN 18 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.12 1gh1 h GLN 18 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.61 1gh1 h GLN 18 CO -0.10 0.06 0.00 0.41 0.09 0.00 0.00 178.83 179.29 1gh1 n GLY 19 N -0.90 1.10 0.05 0.06 0.00 -0.13 -4.82 105.19 100.57 1gh1 n GLY 19 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.08 4.05 3.73 -0.02 0.00 -1.24 -5.10 105.19 106.53 1gh1 n GLY 20 Ca 0.00 -1.78 -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 -2.02 4.37 0.00 1.61 0.04 -1.26 -4.63 135.00 133.10 1gh1 s PRO 21 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 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 0.00 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1gh1 n GLY 22 N 2.73 -0.56 0.19 0.56 0.00 -1.26 -4.59 105.19 102.25 1gh1 n GLY 22 Ca 0.08 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.39 0.00 1.61 0.13 -1.87 -3.46 132.00 128.03 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 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1gh1 h PRO 23 CO 0.00 -0.26 0.00 -1.13 -0.23 0.00 0.00 178.00 176.38 1gh1 n SER 24 N -4.66 0.00 0.00 1.44 3.41 -1.26 -4.68 113.62 107.87 1gh1 n SER 24 Ca -0.05 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.64 1gh1 n SER 24 Cb 0.16 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.47 -0.79 0.09 5.00 0.00 -1.26 -1.78 105.19 105.97 1gh1 n GLY 25 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.26 0.65 -0.20 1.61 1.13 -1.26 -3.73 117.38 114.32 1gh1 n GLN 26 Ca 0.08 0.14 -0.04 0.00 -1.94 0.00 0.00 57.00 55.24 1gh1 n GLN 26 Cb 0.12 -1.68 0.07 0.00 0.11 0.00 0.00 30.24 28.85 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 -0.87 0.38 0.12 0.00 3.32 -1.63 0.30 116.42 118.04 1gh1 h ASP 29 Ca -0.01 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1gh1 h ASP 29 Cb 0.66 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1gh1 h ASP 29 CO 0.01 0.57 -0.06 1.23 -1.72 0.00 0.00 179.24 179.27 1gh1 h GLY 30 N 0.17 -0.17 1.40 2.75 0.00 0.14 -1.00 103.07 106.36 1gh1 h GLY 30 Ca 0.07 0.06 -0.24 0.00 0.00 0.00 0.00 47.33 47.23 1gh1 h GLY 30 CO 0.01 -0.06 -0.94 -2.08 0.00 0.00 0.00 176.54 173.46 1gh1 h VAL 31 N -0.19 1.35 -0.87 4.60 2.07 -1.26 -2.99 116.25 118.95 1gh1 h VAL 31 Ca -0.02 -2.31 -0.00 0.00 0.82 0.00 0.00 66.70 65.20 1gh1 h VAL 31 Cb 0.15 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 1gh1 h VAL 31 CO 0.03 0.70 0.54 0.50 0.02 0.00 0.00 177.57 179.36 1gh1 h LYS 32 N 0.32 1.17 0.73 1.57 3.64 -0.89 0.07 116.57 123.17 1gh1 h LYS 32 Ca -0.09 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1gh1 h LYS 32 Cb 1.58 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1gh1 h LYS 32 CO 0.17 0.81 -0.45 -0.91 -2.27 0.00 0.00 179.45 176.80 1gh1 h ASN 33 N 1.19 -1.15 -0.04 4.20 2.35 -1.14 0.15 115.58 121.15 1gh1 h ASN 33 Ca 0.31 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 56.16 1gh1 h ASN 33 Cb -0.07 0.34 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 1gh1 h ASN 33 CO -0.06 -0.70 -0.23 0.25 -1.65 0.00 0.00 177.43 175.04 1gh1 h LEU 34 N -1.11 -0.70 -0.40 1.61 5.85 -1.36 -0.08 115.31 119.12 1gh1 h LEU 34 Ca -0.09 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1gh1 h LEU 34 Cb 0.89 0.29 -0.09 0.00 0.37 0.00 0.00 40.66 42.13 1gh1 h LEU 34 CO 0.09 -0.30 -0.43 -0.74 -0.34 0.00 0.00 178.44 176.72 1gh1 h HIS 35 N -0.35 -1.27 -0.54 1.25 2.76 -0.84 0.45 115.15 116.61 1gh1 h HIS 35 Ca 0.07 0.07 0.10 0.00 -2.20 0.00 0.00 60.37 58.41 1gh1 h HIS 35 Cb 0.45 0.61 -0.08 0.00 1.55 0.00 0.00 27.41 29.94 1gh1 h HIS 35 CO -0.29 -0.44 0.11 -0.97 -1.30 0.00 0.00 177.93 175.03 1gh1 h ASN 36 N -0.33 -0.01 0.46 3.26 -1.24 -0.18 -0.76 115.58 116.78 1gh1 h ASN 36 Ca 0.13 0.10 -0.07 0.00 0.71 0.00 0.00 56.30 57.17 1gh1 h ASN 36 Cb 0.59 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.76 1gh1 h ASN 36 CO -0.57 0.02 -0.35 1.56 -1.29 0.00 0.00 177.43 176.79 1gh1 h GLN 37 N 0.24 0.00 -5.18 6.67 4.20 0.43 -3.38 115.11 118.09 1gh1 h GLN 37 Ca 0.28 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.60 1gh1 h GLN 37 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1gh1 h GLN 37 CO -0.36 0.35 1.28 0.00 -0.67 0.00 0.00 178.83 179.43 1gh1 n ALA 38 N -2.42 1.97 1.05 3.87 0.00 0.14 -4.59 120.51 120.54 1gh1 n ALA 38 Ca -0.02 -3.00 0.12 0.00 0.00 0.00 0.00 53.44 50.54 1gh1 n ALA 38 Cb 0.41 -3.52 0.23 0.00 0.00 0.00 0.00 19.45 16.58 1gh1 n ALA 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1gh1 n ARG 39 N 7.96 2.16 -4.45 0.00 0.63 -1.26 -4.82 116.66 116.87 1gh1 n ARG 39 Ca 0.46 -1.69 -0.24 0.00 -0.92 0.00 0.00 57.85 55.45 1gh1 n ARG 39 Cb 0.45 -1.47 -0.10 0.00 0.45 0.00 0.00 32.46 31.79 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 -1.91 3.44 0.38 6.15 0.15 -1.26 -5.02 113.70 115.63 1gh1 s SER 40 Ca 0.32 -1.00 0.05 0.00 0.70 0.00 0.00 55.95 56.02 1gh1 s SER 40 Cb 0.20 -0.27 0.74 0.00 -1.71 0.00 0.00 66.02 64.98 1gh1 s SER 40 CO 0.31 0.03 2.03 -0.61 1.20 0.00 0.00 173.24 176.20 1gh1 h GLN 41 N 2.48 0.69 -0.24 5.44 4.15 -1.91 -2.57 115.11 123.14 1gh1 h GLN 41 Ca -0.41 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.02 1gh1 h GLN 41 Cb 1.25 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.73 1gh1 h GLN 41 CO 0.58 0.46 -0.10 0.77 -1.93 0.00 0.00 178.83 178.61 1gh1 h SER 42 N 0.70 -0.35 1.00 -0.69 0.02 -1.98 0.26 113.55 112.52 1gh1 h SER 42 Ca 0.19 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1gh1 h SER 42 Cb -0.07 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1gh1 h SER 42 CO -0.04 -0.14 0.00 -0.78 -1.14 0.00 0.00 176.83 174.73 1gh1 h ASP 43 N -0.07 0.00 0.26 3.07 3.58 -1.83 0.17 116.42 121.60 1gh1 h ASP 43 Ca 0.13 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.24 1gh1 h ASP 43 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1gh1 h ASP 43 CO -0.29 0.00 -1.71 0.03 -2.88 0.00 0.00 179.24 174.40 1gh1 h ARG 44 N 0.00 0.35 -0.10 0.28 -0.00 -1.09 -3.05 114.38 110.77 1gh1 h ARG 44 Ca 0.00 -0.60 -0.11 0.00 -0.50 0.00 0.00 59.98 58.77 1gh1 h ARG 44 Cb 0.50 0.22 0.00 0.00 0.00 0.00 0.00 29.97 30.70 1gh1 h ARG 44 CO 0.00 1.25 -0.37 1.96 0.00 0.00 0.00 179.97 182.80 1gh1 h GLN 45 N 0.10 0.42 0.42 0.04 4.20 -0.26 -2.81 115.11 117.22 1gh1 h GLN 45 Ca -0.32 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.04 1gh1 h GLN 45 Cb 2.08 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.92 1gh1 h GLN 45 CO 0.17 0.96 -0.21 0.77 -0.67 0.00 0.00 178.83 179.84 1gh1 h SER 46 N -0.02 -0.52 -0.96 1.46 0.02 -0.81 -2.38 113.55 110.35 1gh1 h SER 46 Ca -0.02 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 1gh1 h SER 46 Cb 1.01 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.61 1gh1 h SER 46 CO 0.08 -0.36 0.59 0.00 -1.14 0.00 0.00 176.83 176.00 1gh1 h ALA 47 N -0.01 1.42 -0.80 3.77 0.00 -1.63 -0.34 119.26 121.67 1gh1 h ALA 47 Ca -0.06 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1gh1 h ALA 47 Cb 0.46 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1gh1 h ALA 47 CO 0.08 0.20 0.47 0.00 0.00 0.00 0.00 179.25 180.00 1gh1 h ASN 49 N 0.83 0.86 0.80 0.00 2.35 -0.56 -0.42 115.58 119.44 1gh1 h ASN 49 Ca 0.37 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 56.06 1gh1 h ASN 49 Cb 0.25 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1gh1 h ASN 49 CO -0.21 0.62 -0.45 0.00 -1.65 0.00 0.00 177.43 175.74 1gh1 h LEU 51 N -1.16 1.02 0.57 0.00 8.10 -1.44 -2.50 115.31 119.91 1gh1 h LEU 51 Ca -0.11 -0.05 -0.02 0.00 0.11 0.00 0.00 57.88 57.81 1gh1 h LEU 51 Cb 0.92 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.87 1gh1 h LEU 51 CO 0.14 0.77 -0.39 0.11 -4.11 0.00 0.00 178.44 174.95 1gh1 h LYS 52 N 1.18 -0.89 -0.84 0.17 1.57 -0.83 0.39 116.57 117.31 1gh1 h LYS 52 Ca 0.31 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.29 1gh1 h LYS 52 Cb -0.08 0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 1gh1 h LYS 52 CO -0.06 -0.60 0.55 0.78 -0.57 0.00 0.00 179.45 179.55 1gh1 h GLY 53 N -0.93 1.05 0.17 3.86 0.00 -1.00 -1.30 103.07 104.93 1gh1 h GLY 53 Ca -0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1gh1 h GLY 53 CO 0.04 0.09 -0.08 -2.22 0.00 0.00 0.00 176.54 174.37 1gh1 h ILE 54 N 0.62 0.00 -1.00 2.60 2.04 -0.98 -3.29 117.51 117.49 1gh1 h ILE 54 Ca 0.42 -0.17 0.32 0.00 1.00 0.00 0.00 64.86 66.43 1gh1 h ILE 54 Cb 0.73 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.66 1gh1 h ILE 54 CO -0.18 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.55 1gh1 h ALA 55 N -1.72 1.97 -0.65 1.87 0.00 -0.11 0.28 119.26 120.89 1gh1 h ALA 55 Ca -0.02 0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.27 1gh1 h ALA 55 Cb 0.17 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1gh1 h ALA 55 CO 0.04 -0.58 0.58 -0.09 0.00 0.00 0.00 179.25 179.20 1gh1 h ARG 56 N 0.32 0.00 -0.00 0.00 2.43 -1.31 0.32 114.38 116.13 1gh1 h ARG 56 Ca 0.74 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.91 1gh1 h ARG 56 Cb 1.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 1gh1 h ARG 56 CO -0.61 0.00 -0.68 0.41 -1.51 0.00 0.00 179.97 177.58 1gh1 n GLY 57 N -1.60 -0.81 3.58 2.80 0.00 0.97 -4.83 105.19 105.30 1gh1 n GLY 57 Ca 0.13 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.84 4.22 -0.04 -0.61 -1.09 0.11 -4.91 121.20 116.05 1gh1 s ILE 58 Ca 0.13 0.88 -0.21 0.00 -2.23 0.00 0.00 60.65 59.23 1gh1 s ILE 58 Cb 0.17 -4.61 -0.14 0.00 -1.58 0.00 0.00 42.46 36.30 1gh1 s ILE 58 CO 0.73 -1.11 0.88 -0.74 -1.23 0.00 0.00 174.94 173.47 1gh1 h HIS 59 N 9.32 -0.30 -1.41 3.97 -0.00 -1.88 -3.28 115.15 121.58 1gh1 h HIS 59 Ca -0.24 -0.01 -0.62 0.00 -0.00 0.00 0.00 60.37 59.50 1gh1 h HIS 59 Cb 1.06 0.10 -0.20 0.00 -0.00 0.00 0.00 27.41 28.37 1gh1 h HIS 59 CO 0.97 0.07 0.81 -1.71 -0.00 0.00 0.00 177.93 178.07 1gh1 n ASN 60 N -5.00 6.98 -4.77 3.26 4.05 -1.26 -4.97 115.26 113.54 1gh1 n ASN 60 Ca -0.08 -3.41 -0.40 0.00 0.45 0.00 0.00 54.58 51.14 1gh1 n ASN 60 Cb 0.25 -1.19 0.00 0.00 1.23 0.00 0.00 39.78 40.07 1gh1 n ASN 60 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1gh1 s LEU 61 N -2.84 4.27 -0.20 1.20 0.20 -1.24 -4.90 118.68 115.17 1gh1 s LEU 61 Ca 0.55 2.91 -0.03 0.00 0.69 0.00 0.00 54.13 58.25 1gh1 s LEU 61 Cb 0.37 -3.77 -0.01 0.00 -0.43 0.00 0.00 46.19 42.35 1gh1 s LEU 61 CO -0.26 -0.90 -0.06 0.21 -0.29 0.00 0.00 176.35 175.04 1gh1 s ASN 62 N -0.37 4.25 0.04 3.68 3.84 -1.16 -4.99 114.94 120.23 1gh1 s ASN 62 Ca 0.55 -0.36 -0.14 0.00 0.21 0.00 0.00 52.86 53.11 1gh1 s ASN 62 Cb -0.44 -1.71 -0.33 0.00 -0.55 0.00 0.00 41.25 38.22 1gh1 s ASN 62 CO 0.58 0.03 1.04 -0.08 -2.79 0.00 0.00 177.10 175.88 1gh1 h GLU 63 N 7.72 0.54 -0.55 0.43 4.81 -1.90 -2.96 114.58 122.67 1gh1 h GLU 63 Ca -0.38 -0.87 0.11 0.00 -0.13 0.00 0.00 59.36 58.10 1gh1 h GLU 63 Cb 1.17 0.31 -0.10 0.00 0.63 0.00 0.00 28.75 30.76 1gh1 h GLU 63 CO 0.60 1.41 -0.12 0.22 -0.73 0.00 0.00 179.01 180.38 1gh1 h ASP 64 N 0.17 -0.49 -0.00 1.04 1.82 -1.95 0.13 116.42 117.14 1gh1 h ASP 64 Ca -0.23 0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1gh1 h ASP 64 Cb 2.10 0.33 0.00 0.00 0.68 0.00 0.00 39.33 42.44 1gh1 h ASP 64 CO 0.26 -0.17 -0.03 0.78 -1.61 0.00 0.00 179.24 178.46 1gh1 h ASN 65 N 0.01 0.03 -1.00 2.28 2.35 -1.88 -1.47 115.58 115.90 1gh1 h ASN 65 Ca 0.27 -0.76 0.24 0.00 -0.55 0.00 0.00 56.30 55.50 1gh1 h ASN 65 Cb 0.41 -0.01 -0.12 0.00 0.05 0.00 0.00 38.32 38.65 1gh1 h ASN 65 CO -0.56 0.78 0.60 0.00 -1.65 0.00 0.00 177.43 176.60 1gh1 h ALA 66 N 0.25 1.77 0.00 -0.83 0.00 -1.28 0.45 119.26 119.62 1gh1 h ALA 66 Ca -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1gh1 h ALA 66 Cb 0.79 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1gh1 h ALA 66 CO 0.01 -0.23 -0.52 -0.09 0.00 0.00 0.00 179.25 178.42 1gh1 h ARG 67 N 0.61 0.00 -0.01 0.00 2.43 -0.81 -3.29 114.38 113.32 1gh1 h ARG 67 Ca 0.63 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1gh1 h ARG 67 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1gh1 h ARG 67 CO -0.46 0.03 -0.00 0.43 -1.51 0.00 0.00 179.97 178.46 1gh1 n SER 68 N -2.91 0.71 0.12 -3.80 7.64 0.15 -4.17 113.62 111.36 1gh1 n SER 68 Ca 0.02 -1.22 -0.05 0.00 1.01 0.00 0.00 58.87 58.62 1gh1 n SER 68 Cb 0.56 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.73 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 1.11 0.00 -0.63 0.44 2.04 -1.40 -3.08 117.51 115.99 1gh1 h ILE 69 Ca 0.00 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.54 1gh1 h ILE 69 Cb 0.24 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 1gh1 h ILE 69 CO 0.00 0.00 0.35 1.55 0.00 0.00 0.00 178.15 180.05 1gh1 h PRO 70 N -0.72 0.64 0.00 2.37 0.13 -1.81 -2.57 132.00 130.05 1gh1 h PRO 70 Ca -0.04 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1gh1 h PRO 70 Cb 0.27 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.25 1gh1 h PRO 70 CO 0.06 0.42 -0.16 -1.00 -0.23 0.00 0.00 178.00 177.09 1gh1 h PRO 71 N 0.66 0.00 0.00 1.56 0.13 -1.73 0.74 132.00 133.36 1gh1 h PRO 71 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1gh1 h PRO 71 Cb 0.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.29 1gh1 h PRO 71 CO -0.17 0.16 0.00 1.17 -0.23 0.00 0.00 178.00 178.93 1gh1 n LYS 72 N -3.51 0.00 -0.08 0.86 4.81 -0.97 -4.23 118.16 115.05 1gh1 n LYS 72 Ca -0.01 0.44 -0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1gh1 n LYS 72 Cb 0.32 -1.23 -0.05 0.00 0.02 0.00 0.00 35.03 34.09 1gh1 n LYS 72 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gh1 n GLY 74 N 0.19 0.89 0.12 0.00 0.00 0.09 -5.04 105.19 101.43 1gh1 n GLY 74 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 1.58 -3.00 1.61 0.31 -0.24 -5.02 118.33 113.58 1gh1 n VAL 75 Ca 0.00 -0.69 -0.14 0.00 -0.01 0.00 0.00 64.34 63.49 1gh1 n VAL 75 Cb 0.00 -1.27 0.02 0.00 -0.91 0.00 0.00 33.84 31.68 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 -3.19 -7.39 -4.93 4.52 5.15 -1.20 -4.96 115.26 103.25 1gh1 n ASN 76 Ca -0.34 0.44 -0.28 0.00 -0.60 0.00 0.00 54.58 53.80 1gh1 n ASN 76 Cb 1.05 -4.49 -0.03 0.00 -0.53 0.00 0.00 39.78 35.78 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 -2.48 4.27 -0.03 1.20 1.02 -1.26 -4.98 118.68 116.41 1gh1 s LEU 77 Ca 0.26 0.35 0.10 0.00 0.02 0.00 0.00 54.13 54.86 1gh1 s LEU 77 Cb -0.06 -3.10 0.35 0.00 0.02 0.00 0.00 46.19 43.40 1gh1 s LEU 77 CO 0.78 0.00 1.24 -0.81 0.02 0.00 0.00 176.35 177.58 1gh1 n PRO 78 N -0.51 2.13 -3.58 1.29 -0.04 -1.26 -4.89 135.00 128.15 1gh1 n PRO 78 Ca -0.05 -1.39 -0.09 0.00 -0.04 0.00 0.00 63.50 61.93 1gh1 n PRO 78 Cb 0.53 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.60 -0.31 0.00 0.54 -0.85 -1.26 -4.76 117.35 109.12 1gh1 s TYR 79 Ca 0.25 0.47 0.00 0.00 -0.52 0.00 0.00 57.07 57.28 1gh1 s TYR 79 Cb 0.15 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.96 1gh1 s TYR 79 CO 0.15 -0.32 0.00 -2.37 -1.52 0.00 0.00 175.55 171.49 1gh1 n THR 80 N 0.53 0.00 -1.86 -3.49 5.66 -1.26 -5.03 114.28 108.83 1gh1 n THR 80 Ca -0.08 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.51 1gh1 n THR 80 Cb 0.58 0.00 -0.02 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 3.16 -3.81 1.09 2.08 -1.26 -4.81 119.36 115.81 1gh1 n ILE 81 Ca 0.00 -2.95 -0.06 0.00 0.56 0.00 0.00 62.75 60.30 1gh1 n ILE 81 Cb 0.00 -2.46 -0.02 0.00 -0.75 0.00 0.00 39.64 36.41 1gh1 n ILE 81 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1gh1 s SER 82 N 4.03 -0.24 -0.58 4.38 0.01 -1.26 -4.83 113.70 115.21 1gh1 s SER 82 Ca 0.52 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.29 1gh1 s SER 82 Cb 0.10 0.64 0.39 0.00 0.21 0.00 0.00 66.02 67.37 1gh1 s SER 82 CO 0.01 -1.19 1.37 0.18 0.41 0.00 0.00 173.24 174.02 1gh1 n LEU 83 N -0.46 5.55 -0.42 2.44 4.77 -1.26 -4.67 117.00 122.95 1gh1 n LEU 83 Ca -0.05 -5.16 0.07 0.00 -0.03 0.00 0.00 56.01 50.85 1gh1 n LEU 83 Cb 0.60 -0.66 0.16 0.00 -2.33 0.00 0.00 43.42 41.19 1gh1 n LEU 83 CO 0.14 2.11 0.43 0.59 -1.33 0.00 0.00 177.39 179.33 1gh1 n ASN 84 N -0.46 1.86 -4.15 -1.43 4.13 -1.26 -5.05 115.26 108.90 1gh1 n ASN 84 Ca 0.43 -3.39 -0.10 0.00 1.68 0.00 0.00 54.58 53.20 1gh1 n ASN 84 Cb 0.51 -0.46 -0.10 0.00 -1.54 0.00 0.00 39.78 38.19 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 -2.78 0.09 -0.13 2.41 -0.00 -1.26 -5.07 121.20 114.46 1gh1 s ILE 85 Ca 0.34 -1.91 0.02 0.00 -0.00 0.00 0.00 60.65 59.10 1gh1 s ILE 85 Cb 0.32 -2.09 -0.09 0.00 -0.00 0.00 0.00 42.46 40.60 1gh1 s ILE 85 CO -0.03 -0.42 -0.09 0.47 -0.00 0.00 0.00 174.94 174.87 1gh1 n ASP 86 N -0.11 2.87 -1.31 4.36 9.92 -1.26 -5.00 116.55 126.02 1gh1 n ASP 86 Ca -0.05 -0.06 -0.17 0.00 -0.53 0.00 0.00 54.79 53.98 1gh1 n ASP 86 Cb 0.64 -0.04 -0.07 0.00 -0.64 0.00 0.00 41.12 41.01 1gh1 n ASP 86 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gh1 h SER 88 N 0.00 0.17 -1.15 0.00 4.64 -1.94 -3.39 113.55 111.88 1gh1 h SER 88 Ca -0.35 -0.75 -0.59 0.00 -0.47 0.00 0.00 61.79 59.63 1gh1 h SER 88 Cb 1.20 -0.05 -0.41 0.00 -0.31 0.00 0.00 62.40 62.83 1gh1 h SER 88 CO 0.51 1.48 -0.54 -1.14 -0.87 0.00 0.00 176.83 176.27 1gh1 n ARG 89 N -4.21 3.42 0.00 4.77 3.00 -1.26 -5.06 116.66 117.32 1gh1 n ARG 89 Ca -0.26 -4.20 0.04 0.00 -0.00 0.00 0.00 57.85 53.44 1gh1 n ARG 89 Cb 0.75 -2.27 0.04 0.00 0.00 0.00 0.00 32.46 30.98 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96