#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 7.34 -3.79 4.38 9.92 -1.26 -4.84 116.55 128.31 1gh1 n ASP 2 Ca 0.00 -3.66 -0.30 0.00 -0.53 0.00 0.00 54.79 50.30 1gh1 n ASP 2 Cb 0.00 -1.06 0.02 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 -1.80 -0.19 0.16 0.00 0.00 -1.26 -4.60 105.19 97.50 1gh1 n GLY 4 Ca -0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.09 0.13 -0.90 1.61 6.17 -1.99 -3.02 115.15 117.06 1gh1 h HIS 5 Ca 0.00 -0.05 0.20 0.00 0.71 0.00 0.00 60.37 61.23 1gh1 h HIS 5 Cb 0.09 -0.03 -0.07 0.00 2.52 0.00 0.00 27.41 29.93 1gh1 h HIS 5 CO -0.04 0.63 0.59 0.28 0.71 0.00 0.00 177.93 180.10 1gh1 h VAL 6 N 0.08 0.69 0.40 5.26 2.07 -1.97 -2.59 116.25 120.19 1gh1 h VAL 6 Ca -0.00 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1gh1 h VAL 6 Cb 0.99 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1gh1 h VAL 6 CO 0.08 0.08 -0.38 0.44 0.02 0.00 0.00 177.57 177.81 1gh1 h ASP 7 N 0.44 -1.03 -0.02 0.57 5.19 -1.78 0.16 116.42 119.95 1gh1 h ASP 7 Ca 0.47 0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.97 1gh1 h ASP 7 Cb 1.11 0.34 -0.00 0.00 0.18 0.00 0.00 39.33 40.96 1gh1 h ASP 7 CO -0.19 -0.51 0.14 -1.28 -3.12 0.00 0.00 179.24 174.29 1gh1 h SER 8 N -0.77 0.00 0.16 6.45 0.87 -1.65 0.40 113.55 119.00 1gh1 h SER 8 Ca -0.05 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.26 1gh1 h SER 8 Cb 0.66 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1gh1 h SER 8 CO -0.03 0.00 -1.14 -0.07 -0.53 0.00 0.00 176.83 175.05 1gh1 h LEU 9 N 0.00 0.52 0.00 2.23 3.38 -1.04 -3.37 115.31 117.02 1gh1 h LEU 9 Ca 0.01 -0.92 -0.08 0.00 0.09 0.00 0.00 57.88 56.98 1gh1 h LEU 9 Cb 0.29 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1gh1 h LEU 9 CO -0.00 1.53 -1.42 1.33 0.09 0.00 0.00 178.44 179.97 1gh1 n VAL 10 N -3.98 0.75 -0.26 1.22 0.24 0.46 -4.06 118.33 112.70 1gh1 n VAL 10 Ca -0.18 -0.61 -0.06 0.00 -2.04 0.00 0.00 64.34 61.45 1gh1 n VAL 10 Cb 0.91 -0.42 0.05 0.00 -1.47 0.00 0.00 33.84 32.91 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 1.06 -0.36 7.34 2.47 -0.41 -2.80 114.38 121.69 1gh1 h ARG 11 Ca -0.09 -0.18 0.09 0.00 -1.26 0.00 0.00 59.98 58.54 1gh1 h ARG 11 Cb 1.28 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 29.41 1gh1 h ARG 11 CO 0.02 0.86 0.25 -1.00 0.56 0.00 0.00 179.97 180.65 1gh1 h PRO 12 N 1.03 0.09 0.00 0.04 0.13 -1.77 -2.29 132.00 129.22 1gh1 h PRO 12 Ca 0.24 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 65.20 1gh1 h PRO 12 Cb 0.17 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 1gh1 h PRO 12 CO -0.03 0.06 -0.83 0.00 -0.23 0.00 0.00 178.00 176.98 1gh1 h LEU 14 N 0.00 0.00 -1.99 0.00 3.38 -1.36 -2.12 115.31 113.22 1gh1 h LEU 14 Ca -0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1gh1 h LEU 14 Cb 1.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 1gh1 h LEU 14 CO 0.11 0.08 0.41 -1.28 0.09 0.00 0.00 178.44 177.84 1gh1 h SER 15 N 0.00 0.00 0.04 -0.43 0.87 -1.58 -0.82 113.55 111.63 1gh1 h SER 15 Ca -0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 1gh1 h SER 15 Cb 0.15 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.06 1gh1 h SER 15 CO 0.01 0.00 -2.07 0.00 -0.53 0.00 0.00 176.83 174.24 1gh1 n TYR 16 N -3.53 0.61 -0.15 2.24 9.36 -0.81 -3.95 117.16 120.94 1gh1 n TYR 16 Ca 0.05 0.18 0.22 0.00 3.32 0.00 0.00 57.90 61.67 1gh1 n TYR 16 Cb 0.55 -1.07 0.63 0.00 -0.63 0.00 0.00 39.34 38.82 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 -0.43 0.66 0.00 2.97 2.07 -1.10 0.69 116.25 121.11 1gh1 h VAL 17 Ca -0.51 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1gh1 h VAL 17 Cb 1.74 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1gh1 h VAL 17 CO -0.14 0.03 -0.07 0.06 0.02 0.00 0.00 177.57 177.47 1gh1 h GLN 18 N 0.16 0.00 0.00 1.57 3.07 -1.37 0.29 115.11 118.83 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 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 1gh1 h GLN 18 CO -0.06 0.07 0.00 0.41 0.09 0.00 0.00 178.83 179.34 1gh1 n GLY 19 N -0.44 0.91 0.86 0.06 0.00 0.23 -4.53 105.19 102.28 1gh1 n GLY 19 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 3.78 3.72 -0.02 0.00 -1.24 -5.09 105.19 106.34 1gh1 n GLY 20 Ca 0.00 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.38 4.34 0.00 1.61 0.04 -1.26 -4.62 135.00 132.73 1gh1 s PRO 21 Ca 0.09 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1gh1 s PRO 21 Cb 0.00 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1gh1 s PRO 21 CO 0.06 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1gh1 n GLY 22 N 3.14 -0.51 0.19 0.56 0.00 -1.26 -4.64 105.19 102.68 1gh1 n GLY 22 Ca 0.10 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.38 0.00 1.61 0.13 -1.86 -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 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 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 -4.97 0.00 0.00 1.44 3.41 -1.26 -4.70 113.62 107.54 1gh1 n SER 24 Ca -0.05 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.63 1gh1 n SER 24 Cb 0.16 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.44 -0.71 0.01 5.00 0.00 -1.26 -1.67 105.19 106.11 1gh1 n GLY 25 Ca 0.00 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.24 0.72 -0.08 1.61 6.02 -1.26 -4.16 117.38 118.98 1gh1 n GLN 26 Ca 0.07 -0.10 -0.07 0.00 -0.01 0.00 0.00 57.00 56.89 1gh1 n GLN 26 Cb 0.10 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 -0.40 -0.46 0.65 0.00 3.58 -1.72 0.46 116.42 118.53 1gh1 h ASP 29 Ca -0.02 0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 1gh1 h ASP 29 Cb 0.13 0.33 0.01 0.00 1.72 0.00 0.00 39.33 41.52 1gh1 h ASP 29 CO 0.03 -0.17 -0.32 1.23 -2.88 0.00 0.00 179.24 177.13 1gh1 h GLY 30 N 0.03 -0.92 1.68 -0.78 0.00 0.91 -1.45 103.07 102.54 1gh1 h GLY 30 Ca 0.28 0.35 -0.14 0.00 0.00 0.00 0.00 47.33 47.82 1gh1 h GLY 30 CO -0.57 -0.34 -0.54 -2.08 0.00 0.00 0.00 176.54 173.01 1gh1 h VAL 31 N -0.88 1.35 -0.37 4.60 2.07 -0.80 -2.78 116.25 119.44 1gh1 h VAL 31 Ca -0.09 -1.82 0.05 0.00 0.82 0.00 0.00 66.70 65.66 1gh1 h VAL 31 Cb 0.68 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1gh1 h VAL 31 CO 0.14 0.55 0.11 0.50 0.02 0.00 0.00 177.57 178.89 1gh1 h LYS 32 N 0.26 0.24 0.05 1.57 3.64 0.01 0.13 116.57 122.48 1gh1 h LYS 32 Ca 0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1gh1 h LYS 32 Cb 1.04 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1gh1 h LYS 32 CO 0.09 0.16 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.48 1gh1 h ASN 33 N 0.25 -0.09 0.29 4.20 2.35 -1.11 -0.06 115.58 121.41 1gh1 h ASN 33 Ca 0.17 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1gh1 h ASN 33 Cb 0.17 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1gh1 h ASN 33 CO -0.20 -0.06 -0.28 0.25 -1.65 0.00 0.00 177.43 175.50 1gh1 h LEU 34 N -0.09 -0.74 -0.45 1.61 6.46 -1.16 -1.59 115.31 119.36 1gh1 h LEU 34 Ca -0.00 0.06 0.09 0.00 -0.12 0.00 0.00 57.88 57.91 1gh1 h LEU 34 Cb 0.08 0.25 -0.09 0.00 -0.73 0.00 0.00 40.66 40.17 1gh1 h LEU 34 CO -0.00 -0.40 -0.18 -0.74 -0.62 0.00 0.00 178.44 176.50 1gh1 h HIS 35 N -0.60 -0.42 -0.59 1.25 2.76 -0.63 -1.18 115.15 115.74 1gh1 h HIS 35 Ca -0.01 0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1gh1 h HIS 35 Cb 0.54 0.26 -0.06 0.00 1.55 0.00 0.00 27.41 29.70 1gh1 h HIS 35 CO -0.17 -0.26 0.29 -0.97 -1.30 0.00 0.00 177.93 175.52 1gh1 h ASN 36 N -0.08 0.39 -0.56 3.26 -0.00 -0.73 -3.24 115.58 114.62 1gh1 h ASN 36 Ca 0.22 0.04 -0.72 0.00 -0.00 0.00 0.00 56.30 55.84 1gh1 h ASN 36 Cb 0.41 -0.03 -0.08 0.00 -0.00 0.00 0.00 38.32 38.63 1gh1 h ASN 36 CO -0.50 0.25 2.65 1.67 -0.00 0.00 0.00 177.43 181.50 1gh1 n GLN 37 N -4.88 3.10 -3.03 6.67 7.27 -0.44 -4.67 117.38 121.39 1gh1 n GLN 37 Ca 0.07 -2.98 -0.14 0.00 0.07 0.00 0.00 57.00 54.02 1gh1 n GLN 37 Cb 0.19 -3.23 -0.04 0.00 2.41 0.00 0.00 30.24 29.57 1gh1 n GLN 37 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1gh1 n ALA 38 N 5.99 0.15 0.79 1.69 0.00 -1.23 -4.91 120.51 122.99 1gh1 n ALA 38 Ca 0.48 -1.92 0.09 0.00 0.00 0.00 0.00 53.44 52.09 1gh1 n ALA 38 Cb 0.40 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 2.86 1.56 -4.33 0.00 0.00 -1.26 -4.87 116.66 110.63 1gh1 n ARG 39 Ca 0.23 -0.92 -0.29 0.00 -0.00 0.00 0.00 57.85 56.87 1gh1 n ARG 39 Cb 0.53 -1.33 -0.11 0.00 0.00 0.00 0.00 32.46 31.54 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 -2.02 3.80 0.51 6.15 0.01 -1.26 -5.00 113.70 115.88 1gh1 s SER 40 Ca 0.15 -0.62 0.23 0.00 1.31 0.00 0.00 55.95 57.02 1gh1 s SER 40 Cb 0.14 -0.49 1.32 0.00 0.21 0.00 0.00 66.02 67.20 1gh1 s SER 40 CO 0.43 0.17 1.99 -0.61 0.41 0.00 0.00 173.24 175.63 1gh1 h GLN 41 N 3.63 0.09 -0.25 12.44 4.15 -2.02 -1.38 115.11 131.77 1gh1 h GLN 41 Ca -0.49 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 58.75 1gh1 h GLN 41 Cb 1.18 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.84 1gh1 h GLN 41 CO 0.46 0.06 -0.52 0.66 -1.93 0.00 0.00 178.83 177.56 1gh1 h SER 42 N 0.09 0.77 -0.34 -0.69 4.64 -1.98 -2.59 113.55 113.46 1gh1 h SER 42 Ca 0.27 -0.40 0.05 0.00 -0.47 0.00 0.00 61.79 61.24 1gh1 h SER 42 Cb 0.93 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.75 1gh1 h SER 42 CO -0.03 1.15 0.06 0.44 -0.87 0.00 0.00 176.83 177.58 1gh1 h ASP 43 N 0.55 0.00 -0.05 4.97 3.32 -1.62 0.46 116.42 124.05 1gh1 h ASP 43 Ca 0.02 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1gh1 h ASP 43 Cb 1.08 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1gh1 h ASP 43 CO 0.11 0.04 -0.32 -0.09 -1.72 0.00 0.00 179.24 177.25 1gh1 h ARG 44 N 0.18 0.31 -0.67 3.56 2.43 -1.59 -2.86 114.38 115.74 1gh1 h ARG 44 Ca 0.16 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1gh1 h ARG 44 Cb 0.18 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1gh1 h ARG 44 CO -0.22 0.92 0.26 1.96 -1.51 0.00 0.00 179.97 181.39 1gh1 h GLN 45 N -0.22 0.99 0.27 0.20 7.50 -1.32 -1.34 115.11 121.20 1gh1 h GLN 45 Ca -0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 58.94 1gh1 h GLN 45 Cb 0.99 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.36 1gh1 h GLN 45 CO 0.07 0.81 -0.13 0.77 -1.50 0.00 0.00 178.83 178.85 1gh1 h SER 46 N 0.97 -0.31 -0.71 1.46 0.02 -0.09 -1.73 113.55 113.17 1gh1 h SER 46 Ca 0.23 0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.35 1gh1 h SER 46 Cb 0.20 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1gh1 h SER 46 CO -0.02 -0.22 0.49 0.00 -1.14 0.00 0.00 176.83 175.94 1gh1 h ALA 47 N -1.82 2.33 -0.76 3.77 0.00 -1.53 0.61 119.26 121.86 1gh1 h ALA 47 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1gh1 h ALA 47 Cb 0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1gh1 h ALA 47 CO 0.06 -0.53 0.37 0.00 0.00 0.00 0.00 179.25 179.15 1gh1 h ASN 49 N 1.07 0.80 0.15 0.00 2.35 0.06 -2.88 115.58 117.13 1gh1 h ASN 49 Ca 0.26 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1gh1 h ASN 49 Cb 0.10 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.22 1gh1 h ASN 49 CO -0.03 0.76 -0.50 0.00 -1.65 0.00 0.00 177.43 176.01 1gh1 h LEU 51 N -0.75 0.57 0.05 0.00 5.85 -1.52 -1.57 115.31 117.93 1gh1 h LEU 51 Ca -0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1gh1 h LEU 51 Cb 0.75 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1gh1 h LEU 51 CO -0.26 0.25 -0.03 0.50 -0.34 0.00 0.00 178.44 178.56 1gh1 h LYS 52 N 0.66 -0.07 -0.86 1.25 3.64 -1.14 0.59 116.57 120.63 1gh1 h LYS 52 Ca 0.46 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.97 1gh1 h LYS 52 Cb 0.63 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.38 1gh1 h LYS 52 CO -0.35 0.10 0.48 0.78 -2.27 0.00 0.00 179.45 178.20 1gh1 h GLY 53 N -0.23 1.38 0.00 5.01 0.00 0.13 -0.57 103.07 108.79 1gh1 h GLY 53 Ca -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1gh1 h GLY 53 CO 0.01 0.07 -0.42 -2.22 0.00 0.00 0.00 176.54 173.98 1gh1 h ILE 54 N 0.76 0.22 -0.52 2.60 5.03 -1.17 -3.26 117.51 121.17 1gh1 h ILE 54 Ca 0.44 -1.23 0.15 0.00 -0.12 0.00 0.00 64.86 64.10 1gh1 h ILE 54 Cb 0.50 0.48 -0.02 0.00 -3.03 0.00 0.00 36.82 34.75 1gh1 h ILE 54 CO -0.29 0.08 0.63 0.00 -0.68 0.00 0.00 178.15 177.88 1gh1 h ALA 55 N -0.88 2.25 0.00 1.87 0.00 0.18 0.60 119.26 123.28 1gh1 h ALA 55 Ca -0.04 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1gh1 h ALA 55 Cb 0.49 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1gh1 h ALA 55 CO -0.03 -0.89 -0.87 -0.09 0.00 0.00 0.00 179.25 177.38 1gh1 h ARG 56 N 0.00 0.00 0.00 0.00 2.43 -1.24 -3.28 114.38 112.28 1gh1 h ARG 56 Ca 0.25 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.25 1gh1 h ARG 56 Cb 1.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.02 1gh1 h ARG 56 CO -0.00 0.39 -0.84 0.78 -1.51 0.00 0.00 179.97 178.80 1gh1 h GLY 57 N 3.61 0.00 -4.26 2.80 0.00 0.14 -3.45 103.07 101.92 1gh1 h GLY 57 Ca -0.06 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.74 1gh1 h GLY 57 CO 0.05 0.00 0.60 -0.42 0.00 0.00 0.00 176.54 176.78 1gh1 s ILE 58 N -2.82 3.48 -0.12 2.60 1.01 -0.69 -4.93 121.20 119.72 1gh1 s ILE 58 Ca 0.02 1.20 0.02 0.00 0.00 0.00 0.00 60.65 61.89 1gh1 s ILE 58 Cb 0.09 -3.77 -0.24 0.00 0.01 0.00 0.00 42.46 38.55 1gh1 s ILE 58 CO 0.79 0.17 0.36 1.57 0.00 0.00 0.00 174.94 177.83 1gh1 n HIS 59 N 2.84 0.94 -3.31 3.97 -0.00 -1.26 -4.55 115.22 113.84 1gh1 n HIS 59 Ca 0.06 0.24 -0.40 0.00 -0.00 0.00 0.00 57.72 57.62 1gh1 n HIS 59 Cb 0.44 -1.14 -0.02 0.00 -0.00 0.00 0.00 29.99 29.27 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 -3.27 5.34 -4.74 0.26 6.94 -1.26 -5.02 115.26 113.51 1gh1 n ASN 60 Ca -0.29 -3.23 -0.35 0.00 -0.02 0.00 0.00 54.58 50.69 1gh1 n ASN 60 Cb 1.05 -1.19 -0.08 0.00 -2.36 0.00 0.00 39.78 37.19 1gh1 n ASN 60 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1gh1 s LEU 61 N -1.94 3.89 -0.19 -4.53 0.20 -1.26 -4.64 118.68 110.21 1gh1 s LEU 61 Ca 0.31 0.24 -0.07 0.00 0.69 0.00 0.00 54.13 55.29 1gh1 s LEU 61 Cb -0.02 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 1gh1 s LEU 61 CO -0.02 0.35 0.06 0.21 -0.29 0.00 0.00 176.35 176.65 1gh1 s ASN 62 N -0.68 5.49 0.11 3.68 2.47 0.10 -4.98 114.94 121.13 1gh1 s ASN 62 Ca 0.12 0.01 0.03 0.00 0.42 0.00 0.00 52.86 53.44 1gh1 s ASN 62 Cb -0.12 -1.95 -0.22 0.00 -1.45 0.00 0.00 41.25 37.51 1gh1 s ASN 62 CO 0.02 0.13 1.24 -0.33 -3.72 0.00 0.00 177.10 174.45 1gh1 h GLU 63 N 7.01 0.09 -0.41 0.43 5.08 -1.99 -2.85 114.58 121.94 1gh1 h GLU 63 Ca -0.36 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 57.91 1gh1 h GLU 63 Cb 1.17 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1gh1 h GLU 63 CO 0.67 1.06 0.09 0.22 -1.00 0.00 0.00 179.01 180.05 1gh1 h ASP 64 N 0.03 0.02 -0.09 1.42 3.58 -1.93 -1.66 116.42 117.79 1gh1 h ASP 64 Ca -0.05 0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 1gh1 h ASP 64 Cb 1.82 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.96 1gh1 h ASP 64 CO 0.15 0.05 -0.21 0.78 -2.88 0.00 0.00 179.24 177.13 1gh1 h ASN 65 N 0.22 0.33 -1.00 2.28 2.35 -1.87 -2.23 115.58 115.67 1gh1 h ASN 65 Ca 0.20 -0.59 0.28 0.00 -0.55 0.00 0.00 56.30 55.64 1gh1 h ASN 65 Cb 0.24 -0.10 -0.14 0.00 0.05 0.00 0.00 38.32 38.38 1gh1 h ASN 65 CO -0.26 0.86 0.58 0.00 -1.65 0.00 0.00 177.43 176.97 1gh1 h ALA 66 N 0.48 1.86 0.00 -0.83 0.00 -1.23 0.45 119.26 119.99 1gh1 h ALA 66 Ca -0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1gh1 h ALA 66 Cb 0.82 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1gh1 h ALA 66 CO 0.05 -0.40 -0.36 -0.09 0.00 0.00 0.00 179.25 178.45 1gh1 h ARG 67 N 0.47 0.00 -0.00 0.00 2.43 -1.26 -3.27 114.38 112.76 1gh1 h ARG 67 Ca 0.68 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.85 1gh1 h ARG 67 Cb 1.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1gh1 h ARG 67 CO -0.53 0.12 -0.08 0.45 -1.51 0.00 0.00 179.97 178.42 1gh1 n SER 68 N -3.04 0.09 0.16 -3.80 2.88 0.15 -4.12 113.62 105.95 1gh1 n SER 68 Ca 0.02 0.27 -0.10 0.00 -1.33 0.00 0.00 58.87 57.73 1gh1 n SER 68 Cb 0.59 -0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 63.65 1gh1 n SER 68 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1gh1 h ILE 69 N 0.03 0.31 -0.85 2.46 2.04 -1.45 -3.27 117.51 116.78 1gh1 h ILE 69 Ca 0.00 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.17 1gh1 h ILE 69 Cb 0.47 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1gh1 h ILE 69 CO 0.00 0.07 0.54 1.55 0.00 0.00 0.00 178.15 180.32 1gh1 h PRO 70 N -1.03 1.01 0.06 2.37 0.13 -1.79 -3.09 132.00 129.66 1gh1 h PRO 70 Ca -0.05 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1gh1 h PRO 70 Cb 0.48 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1gh1 h PRO 70 CO 0.08 0.67 -0.03 -1.00 -0.23 0.00 0.00 178.00 177.49 1gh1 h PRO 71 N 1.04 -0.08 -0.26 1.56 0.13 -1.74 0.87 132.00 133.53 1gh1 h PRO 71 Ca 0.34 0.01 0.08 0.00 -0.87 0.00 0.00 66.00 65.55 1gh1 h PRO 71 Cb 0.03 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1gh1 h PRO 71 CO -0.12 0.06 0.24 1.57 -0.23 0.00 0.00 178.00 179.52 1gh1 h LYS 72 N -0.20 0.00 0.00 0.86 2.10 -1.60 -2.74 116.57 114.99 1gh1 h LYS 72 Ca -0.01 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.51 1gh1 h LYS 72 Cb 0.18 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.49 1gh1 h LYS 72 CO 0.01 0.00 -0.74 0.00 -2.00 0.00 0.00 179.45 176.72 1gh1 n GLY 74 N 1.52 1.45 0.01 0.00 0.00 0.27 -5.00 105.19 103.45 1gh1 n GLY 74 Ca -0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.30 0.08 -3.22 1.61 0.24 -1.21 -5.07 118.33 109.47 1gh1 n VAL 75 Ca 0.00 -0.24 -0.19 0.00 -2.04 0.00 0.00 64.34 61.87 1gh1 n VAL 75 Cb 0.00 0.15 0.02 0.00 -1.47 0.00 0.00 33.84 32.53 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 -1.90 -6.75 -4.73 -1.34 5.15 -1.25 -4.93 115.26 99.51 1gh1 n ASN 76 Ca -0.03 0.02 -0.33 0.00 -0.60 0.00 0.00 54.58 53.64 1gh1 n ASN 76 Cb 0.32 -3.72 0.10 0.00 -0.53 0.00 0.00 39.78 35.95 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 -3.11 3.15 0.00 1.20 1.02 -1.26 -4.91 118.68 114.78 1gh1 s LEU 77 Ca 0.22 2.16 0.29 0.00 0.02 0.00 0.00 54.13 56.82 1gh1 s LEU 77 Cb -0.04 -4.57 1.35 0.00 0.02 0.00 0.00 46.19 42.95 1gh1 s LEU 77 CO 0.82 -2.35 1.91 -0.81 0.02 0.00 0.00 176.35 175.95 1gh1 n PRO 78 N -3.22 1.28 -3.15 1.29 -0.05 -1.26 -4.76 135.00 125.14 1gh1 n PRO 78 Ca 0.12 -0.53 0.05 0.00 -0.05 0.00 0.00 63.50 63.08 1gh1 n PRO 78 Cb 0.51 -1.49 -0.01 0.00 -0.05 0.00 0.00 33.50 32.47 1gh1 n PRO 78 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 175.50 176.97 1gh1 s TYR 79 N -2.08 -1.15 0.00 0.54 1.13 -1.26 -4.63 117.35 109.90 1gh1 s TYR 79 Ca 0.40 1.03 0.00 0.00 -1.41 0.00 0.00 57.07 57.09 1gh1 s TYR 79 Cb 0.21 0.33 0.00 0.00 -1.10 0.00 0.00 41.96 41.41 1gh1 s TYR 79 CO 0.37 -0.64 0.64 2.41 -2.51 0.00 0.00 175.55 175.82 1gh1 n THR 80 N 5.40 0.00 -3.62 -3.49 -1.04 -1.26 -5.00 114.28 105.27 1gh1 n THR 80 Ca -0.01 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.73 1gh1 n THR 80 Cb 0.53 0.40 -0.10 0.00 -1.82 0.00 0.00 70.33 69.33 1gh1 n THR 80 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1gh1 n ILE 81 N 0.00 0.53 -1.51 12.58 -0.00 -1.26 -4.50 119.36 125.21 1gh1 n ILE 81 Ca 0.00 -4.33 0.00 0.00 -0.00 0.00 0.00 62.75 58.42 1gh1 n ILE 81 Cb 0.58 -1.97 0.00 0.00 -0.00 0.00 0.00 39.64 38.25 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 2.10 0.00 -1.67 4.38 2.88 -1.26 -1.72 113.62 118.33 1gh1 n SER 82 Ca 0.25 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.66 1gh1 n SER 82 Cb 0.42 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.96 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 5.17 -0.66 2.46 4.32 -1.26 -4.05 117.00 122.97 1gh1 n LEU 83 Ca 0.00 -2.70 0.13 0.00 -0.02 0.00 0.00 56.01 53.42 1gh1 n LEU 83 Cb 0.00 -0.74 0.37 0.00 -1.62 0.00 0.00 43.42 41.43 1gh1 n LEU 83 CO 0.00 0.86 0.78 -3.20 -1.22 0.00 0.00 177.39 174.61 1gh1 n ASN 84 N -0.21 2.06 -4.37 -1.43 2.85 -0.70 -4.89 115.26 108.56 1gh1 n ASN 84 Ca 0.30 -1.70 -0.26 0.00 -0.11 0.00 0.00 54.58 52.82 1gh1 n ASN 84 Cb 1.00 -0.03 -0.12 0.00 1.24 0.00 0.00 39.78 41.87 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 -1.94 2.12 -0.37 -1.44 -5.25 -1.26 -5.04 121.20 108.02 1gh1 s ILE 85 Ca 0.35 -1.87 0.01 0.00 -0.99 0.00 0.00 60.65 58.14 1gh1 s ILE 85 Cb 0.20 -1.94 0.10 0.00 2.95 0.00 0.00 42.46 43.77 1gh1 s ILE 85 CO 0.31 -0.10 0.11 -1.81 -1.79 0.00 0.00 174.94 171.67 1gh1 s ASP 86 N -2.41 4.99 0.08 4.36 1.01 -1.26 -4.99 116.67 118.45 1gh1 s ASP 86 Ca 0.16 -2.03 -0.25 0.00 0.71 0.00 0.00 52.55 51.13 1gh1 s ASP 86 Cb -0.08 -1.72 -0.16 0.00 1.01 0.00 0.00 42.92 41.96 1gh1 s ASP 86 CO 0.07 -0.44 1.67 0.00 0.21 0.00 0.00 175.17 176.68 1gh1 n SER 88 N -5.16 0.00 -2.49 0.00 2.88 -1.26 -4.97 113.62 102.62 1gh1 n SER 88 Ca -0.09 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.42 1gh1 n SER 88 Cb 0.13 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.98 0.00 -1.46 0.63 -1.26 -5.19 116.66 110.36 1gh1 n ARG 89 Ca 0.00 -1.12 0.14 0.00 -0.92 0.00 0.00 57.85 55.95 1gh1 n ARG 89 Cb 0.00 0.19 0.84 0.00 0.45 0.00 0.00 32.46 33.94 1gh1 n ARG 89 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67