#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gd8 h SER 15 N 0.00 0.00 -0.36 4.04 4.64 -2.05 -2.49 113.55 117.33 1gd8 h SER 15 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1gd8 h SER 15 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1gd8 h SER 15 CO 0.00 0.37 -0.23 0.45 -0.87 0.00 0.00 176.83 176.55 1gd8 h HIS 16 N 0.00 0.92 0.19 4.77 3.86 -2.06 -2.64 115.15 120.20 1gd8 h HIS 16 Ca -0.00 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 58.95 1gd8 h HIS 16 Cb 0.90 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1gd8 h HIS 16 CO 0.00 1.01 -0.09 0.00 0.86 0.00 0.00 177.93 179.70 1gd8 h ARG 17 N 0.58 -0.25 -0.75 2.45 3.08 -1.96 -2.82 114.38 114.71 1gd8 h ARG 17 Ca 0.07 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.20 1gd8 h ARG 17 Cb 0.80 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.86 1gd8 h ARG 17 CO 0.06 0.03 0.49 1.25 -1.07 0.00 0.00 179.97 180.73 1gd8 h LEU 18 N -0.52 0.70 -0.95 3.04 7.12 -1.50 0.81 115.31 124.00 1gd8 h LEU 18 Ca -0.03 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.96 1gd8 h LEU 18 Cb 0.39 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.34 1gd8 h LEU 18 CO 0.04 0.45 0.35 0.00 -0.13 0.00 0.00 178.44 179.16 1gd8 h ALA 19 N 1.59 1.18 0.18 1.25 0.00 -1.44 -0.50 119.26 121.52 1gd8 h ALA 19 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1gd8 h ALA 19 Cb 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gd8 h ALA 19 CO -0.11 0.62 -0.09 1.25 0.00 0.00 0.00 179.25 180.92 1gd8 h LEU 20 N 1.09 -0.20 -0.60 0.00 6.46 -0.88 -2.16 115.31 119.03 1gd8 h LEU 20 Ca 0.26 -0.29 0.12 0.00 -0.12 0.00 0.00 57.88 57.85 1gd8 h LEU 20 Cb 0.13 0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 40.01 1gd8 h LEU 20 CO -0.03 0.22 -0.07 1.88 -0.62 0.00 0.00 178.44 179.82 1gd8 h TYR 21 N -0.67 -0.17 -0.43 1.25 0.99 -0.73 0.43 116.97 117.63 1gd8 h TYR 21 Ca -0.02 0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.76 1gd8 h TYR 21 Cb 0.48 0.17 -0.02 0.00 1.00 0.00 0.00 36.73 38.36 1gd8 h TYR 21 CO 0.05 -0.21 0.27 -0.09 -0.00 0.00 0.00 178.16 178.19 1gd8 h ARG 22 N 0.06 0.54 -0.36 4.88 2.43 -1.10 0.30 114.38 121.13 1gd8 h ARG 22 Ca 0.30 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1gd8 h ARG 22 Cb 0.48 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1gd8 h ARG 22 CO -0.56 0.36 0.16 -0.97 -1.51 0.00 0.00 179.97 177.45 1gd8 h ASN 23 N 0.56 0.48 -0.32 -3.80 -0.73 -0.42 -2.14 115.58 109.21 1gd8 h ASN 23 Ca 0.16 -0.14 -0.06 0.00 1.87 0.00 0.00 56.30 58.13 1gd8 h ASN 23 Cb -0.04 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 1gd8 h ASN 23 CO -0.05 0.49 -0.02 1.56 -0.37 0.00 0.00 177.43 179.03 1gd8 h GLN 24 N 0.43 0.58 -0.81 6.67 4.20 0.03 -3.07 115.11 123.14 1gd8 h GLN 24 Ca 0.12 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1gd8 h GLN 24 Cb 0.15 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1gd8 h GLN 24 CO -0.01 0.73 0.45 0.00 -0.67 0.00 0.00 178.83 179.32 1gd8 h ALA 25 N 0.83 1.26 0.33 3.87 0.00 -0.39 -1.33 119.26 123.82 1gd8 h ALA 25 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gd8 h ALA 25 Cb 0.48 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1gd8 h ALA 25 CO 0.02 0.60 -0.33 0.87 0.00 0.00 0.00 179.25 180.41 1gd8 h LYS 26 N 1.13 -0.67 -0.62 0.00 1.57 -1.31 0.58 116.57 117.26 1gd8 h LYS 26 Ca 0.29 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1gd8 h LYS 26 Cb 0.02 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1gd8 h LYS 26 CO -0.05 -0.44 0.36 0.77 -0.57 0.00 0.00 179.45 179.51 1gd8 h SER 27 N -0.69 0.75 -0.34 0.86 0.02 -1.44 -1.18 113.55 111.52 1gd8 h SER 27 Ca -0.02 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1gd8 h SER 27 Cb 0.63 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1gd8 h SER 27 CO -0.07 0.59 0.05 0.25 -1.14 0.00 0.00 176.83 176.51 1gd8 h LEU 28 N 0.86 0.56 -0.79 5.07 7.12 -0.80 -0.12 115.31 127.20 1gd8 h LEU 28 Ca 0.22 -0.27 -0.03 0.00 0.13 0.00 0.00 57.88 57.93 1gd8 h LEU 28 Cb -0.00 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 39.97 1gd8 h LEU 28 CO -0.04 0.69 -0.16 -0.07 -0.13 0.00 0.00 178.44 178.73 1gd8 h LEU 29 N 0.41 0.00 0.00 2.25 -0.00 -0.53 0.23 115.31 117.67 1gd8 h LEU 29 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.93 1gd8 h LEU 29 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 1gd8 h LEU 29 CO 0.01 0.16 -0.36 0.74 -0.00 0.00 0.00 178.44 178.99 1gd8 h THR 30 N 0.00 0.79 0.00 0.22 2.02 -0.99 -3.40 112.91 111.54 1gd8 h THR 30 Ca -0.00 -1.69 -0.04 0.00 0.77 0.00 0.00 66.41 65.44 1gd8 h THR 30 Cb 0.84 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1gd8 h THR 30 CO 0.02 0.27 -1.29 1.41 0.37 0.00 0.00 175.52 176.30 1gd8 n HIS 31 N -4.62 0.78 -0.02 3.16 8.25 -0.08 -4.99 115.22 117.70 1gd8 n HIS 31 Ca -0.11 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1gd8 n HIS 31 Cb 0.35 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.55 1gd8 n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gd8 n GLY 32 N 1.25 0.47 3.35 -1.41 0.00 0.79 -5.04 105.19 104.60 1gd8 n GLY 32 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1gd8 n GLY 32 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gd8 s ARG 33 N -0.85 1.03 0.07 1.61 1.70 -1.24 -3.27 118.95 118.00 1gd8 s ARG 33 Ca 0.00 -0.45 -0.12 0.00 -0.47 0.00 0.00 55.73 54.70 1gd8 s ARG 33 Cb 0.00 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.85 1gd8 s ARG 33 CO 0.00 -0.38 0.26 0.42 -1.08 0.00 0.00 175.30 174.52 1gd8 s ILE 34 N -3.00 0.10 -0.03 4.99 -1.09 0.47 -4.48 121.20 118.15 1gd8 s ILE 34 Ca -0.02 -0.85 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 1gd8 s ILE 34 Cb 0.00 -1.08 0.02 0.00 -1.58 0.00 0.00 42.46 39.82 1gd8 s ILE 34 CO -0.06 -0.47 -0.05 -0.89 -1.23 0.00 0.00 174.94 172.24 1gd8 s THR 35 N -3.09 0.51 0.00 2.92 2.01 -1.26 -0.24 115.64 116.49 1gd8 s THR 35 Ca -0.01 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1gd8 s THR 35 Cb 0.01 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 72.00 1gd8 s THR 35 CO -0.07 0.20 0.00 0.35 -0.69 0.00 0.00 174.62 174.42 1gd8 n THR 36 N 3.81 0.00 -1.66 -0.82 -2.24 -0.91 -5.01 114.28 107.45 1gd8 n THR 36 Ca -0.23 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.24 1gd8 n THR 36 Cb 0.52 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.81 1gd8 n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1gd8 s THR 37 N -2.17 3.73 0.11 4.28 -4.23 -1.26 -1.14 115.64 114.97 1gd8 s THR 37 Ca 0.00 0.56 -0.22 0.00 -1.18 0.00 0.00 61.69 60.86 1gd8 s THR 37 Cb 0.00 -3.38 -0.08 0.00 1.34 0.00 0.00 72.50 70.38 1gd8 s THR 37 CO 0.00 -0.74 1.71 0.58 -0.54 0.00 0.00 174.62 175.64 1gd8 h VAL 38 N -0.77 0.84 0.29 2.29 2.07 -1.76 -0.66 116.25 118.56 1gd8 h VAL 38 Ca -0.45 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1gd8 h VAL 38 Cb 1.23 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1gd8 h VAL 38 CO 0.59 0.00 -0.24 -0.65 0.02 0.00 0.00 177.57 177.29 1gd8 h PRO 39 N -0.04 -0.53 -0.37 1.57 0.11 -1.93 -1.68 132.00 129.13 1gd8 h PRO 39 Ca 0.06 0.04 0.09 0.00 0.11 0.00 0.00 66.00 66.29 1gd8 h PRO 39 Cb 0.12 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 1gd8 h PRO 39 CO -0.12 -0.35 0.26 0.87 -0.21 0.00 0.00 178.00 178.45 1gd8 h LYS 40 N -0.55 0.09 -0.44 1.05 1.57 -1.92 -1.32 116.57 115.05 1gd8 h LYS 40 Ca -0.02 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1gd8 h LYS 40 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1gd8 h LYS 40 CO -0.02 0.06 -0.24 0.00 -0.57 0.00 0.00 179.45 178.68 1gd8 h ALA 41 N 1.81 0.62 -0.23 3.86 0.00 -0.52 -1.86 119.26 122.94 1gd8 h ALA 41 Ca 0.17 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1gd8 h ALA 41 Cb 0.58 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1gd8 h ALA 41 CO -0.02 0.62 -0.01 0.87 0.00 0.00 0.00 179.25 180.72 1gd8 h LYS 42 N 0.77 0.41 -0.91 0.00 1.57 -0.36 -1.42 116.57 116.62 1gd8 h LYS 42 Ca 0.09 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1gd8 h LYS 42 Cb 0.82 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 1gd8 h LYS 42 CO 0.07 0.60 0.60 0.93 -0.57 0.00 0.00 179.45 181.09 1gd8 h GLU 43 N 0.18 1.20 -0.02 3.15 5.08 -1.34 -2.56 114.58 120.26 1gd8 h GLU 43 Ca 0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1gd8 h GLU 43 Cb 0.42 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1gd8 h GLU 43 CO 0.01 0.80 -0.02 1.25 -1.00 0.00 0.00 179.01 180.06 1gd8 h LEU 44 N 1.24 0.05 -1.03 1.33 7.12 -1.24 -2.42 115.31 120.37 1gd8 h LEU 44 Ca 0.33 -0.44 0.16 0.00 0.13 0.00 0.00 57.88 58.06 1gd8 h LEU 44 Cb -0.14 -0.02 -0.10 0.00 -0.53 0.00 0.00 40.66 39.88 1gd8 h LEU 44 CO -0.07 0.49 0.62 0.08 -0.13 0.00 0.00 178.44 179.43 1gd8 h ARG 45 N -0.38 0.83 -0.39 1.25 -0.00 -1.09 -0.28 114.38 114.33 1gd8 h ARG 45 Ca 0.00 -0.05 -0.13 0.00 -0.00 0.00 0.00 59.98 59.81 1gd8 h ARG 45 Cb 0.47 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.97 30.24 1gd8 h ARG 45 CO 0.00 0.55 -0.26 0.78 -0.00 0.00 0.00 179.97 181.04 1gd8 h GLY 46 N 0.86 0.89 0.85 0.08 0.00 -1.37 -1.52 103.07 102.86 1gd8 h GLY 46 Ca 0.54 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1gd8 h GLY 46 CO -0.32 0.73 -0.03 -2.75 0.00 0.00 0.00 176.54 174.17 1gd8 h PHE 47 N 0.71 0.52 -0.36 5.60 3.57 -0.62 -2.36 116.94 123.99 1gd8 h PHE 47 Ca 0.09 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 1gd8 h PHE 47 Cb 0.80 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1gd8 h PHE 47 CO 0.04 0.65 -0.11 0.28 -2.23 0.00 0.00 178.31 176.95 1gd8 h VAL 48 N 0.23 1.28 -0.56 1.41 2.07 -1.12 -1.87 116.25 117.70 1gd8 h VAL 48 Ca 0.07 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1gd8 h VAL 48 Cb 0.47 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1gd8 h VAL 48 CO 0.02 0.39 0.37 0.44 0.02 0.00 0.00 177.57 178.81 1gd8 h ASP 49 N 0.50 0.54 -0.47 0.57 5.19 -1.29 0.36 116.42 121.82 1gd8 h ASP 49 Ca 0.09 -0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.38 1gd8 h ASP 49 Cb 0.62 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 1gd8 h ASP 49 CO 0.04 0.37 -0.16 -0.74 -3.12 0.00 0.00 179.24 175.63 1gd8 h HIS 50 N 0.62 1.08 -0.07 4.55 -0.00 -1.12 -1.90 115.15 118.31 1gd8 h HIS 50 Ca 0.23 -0.23 -0.21 0.00 -0.00 0.00 0.00 60.37 60.15 1gd8 h HIS 50 Cb 0.13 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.28 1gd8 h HIS 50 CO -0.00 1.03 -0.83 -0.07 -0.00 0.00 0.00 177.93 178.06 1gd8 h LEU 51 N 0.84 0.66 -0.86 0.26 3.38 -0.34 -3.08 115.31 116.17 1gd8 h LEU 51 Ca 0.12 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.51 1gd8 h LEU 51 Cb 0.71 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1gd8 h LEU 51 CO 0.05 1.24 -0.45 0.40 0.09 0.00 0.00 178.44 179.78 1gd8 h ILE 52 N 0.34 1.33 -0.58 1.22 2.04 -0.95 -1.89 117.51 119.03 1gd8 h ILE 52 Ca -0.06 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.16 1gd8 h ILE 52 Cb 1.44 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 1gd8 h ILE 52 CO 0.15 0.48 0.29 -0.74 0.00 0.00 0.00 178.15 178.34 1gd8 h HIS 53 N 0.21 0.82 -0.18 1.37 -0.00 -1.30 -0.80 115.15 115.27 1gd8 h HIS 53 Ca 0.01 -0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.23 1gd8 h HIS 53 Cb 0.88 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 28.02 1gd8 h HIS 53 CO 0.02 0.62 -0.39 -0.07 -0.00 0.00 0.00 177.93 178.10 1gd8 h LEU 54 N 0.78 0.43 -1.13 0.26 4.07 -1.42 -2.07 115.31 116.23 1gd8 h LEU 54 Ca 0.20 -0.18 -0.08 0.00 0.08 0.00 0.00 57.88 57.90 1gd8 h LEU 54 Cb 0.09 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1gd8 h LEU 54 CO -0.03 0.78 -0.28 0.00 -1.08 0.00 0.00 178.44 177.83 1gd8 h ALA 55 N 1.24 1.28 -0.02 1.53 0.00 -0.96 0.37 119.26 122.70 1gd8 h ALA 55 Ca 0.03 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 1gd8 h ALA 55 Cb 0.84 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1gd8 h ALA 55 CO 0.07 0.49 -0.87 0.87 0.00 0.00 0.00 179.25 179.81 1gd8 h LYS 56 N 0.23 0.36 0.00 0.00 1.57 -0.82 -2.24 116.57 115.66 1gd8 h LYS 56 Ca 0.03 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1gd8 h LYS 56 Cb 0.62 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1gd8 h LYS 56 CO 0.04 1.03 -0.19 -0.09 -0.57 0.00 0.00 179.45 179.68 1gd8 h ARG 57 N 0.21 0.00 -5.50 3.15 2.43 -0.88 -3.47 114.38 110.32 1gd8 h ARG 57 Ca -0.06 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.94 1gd8 h ARG 57 Cb 1.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 1gd8 h ARG 57 CO 0.15 0.19 -0.39 0.41 -1.51 0.00 0.00 179.97 178.82 1gd8 n GLY 58 N -0.21 -0.43 3.40 2.80 0.00 0.07 -4.98 105.19 105.84 1gd8 n GLY 58 Ca -0.01 0.22 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1gd8 n GLY 58 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gd8 s ASP 59 N -2.23 2.16 0.26 1.61 -4.77 -1.26 -5.00 116.67 107.44 1gd8 s ASP 59 Ca 0.01 -1.68 -0.01 0.00 -3.30 0.00 0.00 52.55 47.56 1gd8 s ASP 59 Cb -0.00 0.51 0.56 0.00 -1.09 0.00 0.00 42.92 42.90 1gd8 s ASP 59 CO 0.31 -0.97 1.72 0.17 0.70 0.00 0.00 175.17 177.10 1gd8 h LEU 60 N 1.99 0.33 -0.02 2.11 -0.00 -1.99 -0.39 115.31 117.33 1gd8 h LEU 60 Ca -0.31 0.12 -0.24 0.00 -0.00 0.00 0.00 57.88 57.45 1gd8 h LEU 60 Cb 1.25 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 42.00 1gd8 h LEU 60 CO 0.49 0.09 -1.08 0.45 -0.00 0.00 0.00 178.44 178.38 1gd8 h HIS 61 N 0.46 0.37 -0.28 0.17 3.86 -1.99 -2.97 115.15 114.77 1gd8 h HIS 61 Ca 0.47 -0.25 -0.06 0.00 -1.16 0.00 0.00 60.37 59.38 1gd8 h HIS 61 Cb 0.78 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 1gd8 h HIS 61 CO -0.15 1.15 -0.04 0.00 0.86 0.00 0.00 177.93 179.75 1gd8 h ALA 62 N 0.76 0.39 0.00 2.45 0.00 -1.72 -2.43 119.26 118.72 1gd8 h ALA 62 Ca -0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1gd8 h ALA 62 Cb 1.79 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1gd8 h ALA 62 CO 0.17 0.18 -0.09 0.00 0.00 0.00 0.00 179.25 179.51 1gd8 h ARG 63 N 0.30 0.00 -0.11 0.00 3.08 -1.16 -0.66 114.38 115.83 1gd8 h ARG 63 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1gd8 h ARG 63 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1gd8 h ARG 63 CO 0.02 0.09 -0.21 -0.09 -1.07 0.00 0.00 179.97 178.72 1gd8 h ARG 64 N 0.00 0.33 -0.17 0.04 2.43 -1.32 -2.88 114.38 112.80 1gd8 h ARG 64 Ca -0.00 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 58.84 1gd8 h ARG 64 Cb 0.16 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1gd8 h ARG 64 CO 0.01 0.80 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.79 1gd8 h LEU 65 N -0.11 0.42 -0.64 3.80 3.38 -1.07 -2.13 115.31 118.96 1gd8 h LEU 65 Ca 0.00 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 1gd8 h LEU 65 Cb 0.79 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1gd8 h LEU 65 CO 0.05 0.80 -0.03 0.58 0.09 0.00 0.00 178.44 179.92 1gd8 h VAL 66 N 0.33 1.26 -0.31 1.22 2.07 -1.18 -2.35 116.25 117.30 1gd8 h VAL 66 Ca 0.03 -1.18 -0.16 0.00 0.82 0.00 0.00 66.70 66.21 1gd8 h VAL 66 Cb 0.88 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1gd8 h VAL 66 CO 0.07 0.42 -0.44 0.25 0.02 0.00 0.00 177.57 177.89 1gd8 h LEU 67 N 0.93 0.85 -1.71 2.57 6.46 -1.37 0.33 115.31 123.36 1gd8 h LEU 67 Ca 0.16 -0.41 -0.03 0.00 -0.12 0.00 0.00 57.88 57.49 1gd8 h LEU 67 Cb 0.58 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1gd8 h LEU 67 CO 0.03 1.17 -0.12 -0.09 -0.62 0.00 0.00 178.44 178.81 1gd8 h ARG 68 N 0.63 0.02 0.10 1.25 2.43 -1.23 -2.91 114.38 114.68 1gd8 h ARG 68 Ca 0.04 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.97 1gd8 h ARG 68 Cb 1.01 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1gd8 h ARG 68 CO 0.10 0.15 -1.19 -0.44 -1.51 0.00 0.00 179.97 177.08 1gd8 h ASP 69 N 0.02 0.34 -3.60 -3.80 5.19 -1.07 -3.42 116.42 110.08 1gd8 h ASP 69 Ca 0.00 -0.86 -0.70 0.00 -0.62 0.00 0.00 57.03 54.85 1gd8 h ASP 69 Cb 0.24 -0.11 -0.25 0.00 0.18 0.00 0.00 39.33 39.38 1gd8 h ASP 69 CO 0.02 1.52 -0.53 -0.76 -3.12 0.00 0.00 179.24 176.36 1gd8 s LEU 70 N -7.68 4.62 -1.54 1.55 1.43 0.11 -4.77 118.68 112.41 1gd8 s LEU 70 Ca -0.19 -1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 51.80 1gd8 s LEU 70 Cb 0.03 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1gd8 s LEU 70 CO 0.76 -0.37 2.79 0.00 0.23 0.00 0.00 176.35 179.76 1gd8 n GLN 71 N 4.96 3.96 -3.41 1.70 1.13 -1.22 -4.29 117.38 120.20 1gd8 n GLN 71 Ca -0.12 -2.58 -0.04 0.00 -1.94 0.00 0.00 57.00 52.32 1gd8 n GLN 71 Cb 0.46 -2.76 -0.06 0.00 0.11 0.00 0.00 30.24 27.99 1gd8 n GLN 71 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1gd8 s ASP 72 N 1.65 -0.51 0.04 1.08 3.68 -1.26 -5.07 116.67 116.28 1gd8 s ASP 72 Ca 0.65 0.78 -0.25 0.00 2.13 0.00 0.00 52.55 55.86 1gd8 s ASP 72 Cb 0.18 1.62 -0.17 0.00 -1.45 0.00 0.00 42.92 43.10 1gd8 s ASP 72 CO -0.07 -0.26 1.51 0.58 0.13 0.00 0.00 175.17 177.05 1gd8 h VAL 73 N 6.11 1.00 -0.98 1.11 2.07 -1.96 -1.96 116.25 121.63 1gd8 h VAL 73 Ca -0.19 -0.43 0.21 0.00 0.82 0.00 0.00 66.70 67.10 1gd8 h VAL 73 Cb 1.14 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 32.09 1gd8 h VAL 73 CO 0.21 0.10 0.62 0.11 0.02 0.00 0.00 177.57 178.63 1gd8 h LYS 74 N -0.35 0.59 -0.03 1.57 6.56 -1.98 0.19 116.57 123.12 1gd8 h LYS 74 Ca -0.02 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.49 1gd8 h LYS 74 Cb 0.29 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1gd8 h LYS 74 CO 0.03 0.39 -0.19 -0.07 -2.06 0.00 0.00 179.45 177.55 1gd8 h LEU 75 N 0.61 0.21 -1.22 2.94 3.38 -1.96 -0.97 115.31 118.31 1gd8 h LEU 75 Ca 0.55 -0.69 0.11 0.00 0.09 0.00 0.00 57.88 57.94 1gd8 h LEU 75 Cb 1.07 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 1gd8 h LEU 75 CO -0.31 0.87 0.58 0.58 0.09 0.00 0.00 178.44 180.24 1gd8 h VAL 76 N -0.43 0.93 0.18 1.22 2.07 -0.54 0.13 116.25 119.81 1gd8 h VAL 76 Ca -0.02 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1gd8 h VAL 76 Cb 0.88 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1gd8 h VAL 76 CO 0.04 0.15 -0.09 -0.09 0.02 0.00 0.00 177.57 177.60 1gd8 h ARG 77 N 0.83 -0.24 -0.47 1.57 2.43 -0.61 -2.65 114.38 115.24 1gd8 h ARG 77 Ca 0.43 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.70 1gd8 h ARG 77 Cb 0.50 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.02 1gd8 h ARG 77 CO -0.19 0.02 -0.04 -0.22 -1.51 0.00 0.00 179.97 178.02 1gd8 h LYS 78 N -0.48 0.07 -0.03 0.20 3.64 0.10 -1.88 116.57 118.19 1gd8 h LYS 78 Ca -0.03 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1gd8 h LYS 78 Cb 0.37 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 1gd8 h LYS 78 CO 0.04 0.04 -0.30 -0.07 -2.27 0.00 0.00 179.45 176.89 1gd8 h LEU 79 N 0.07 -0.90 -0.04 5.20 3.38 -0.74 0.23 115.31 122.51 1gd8 h LEU 79 Ca 0.23 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 1gd8 h LEU 79 Cb 0.35 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1gd8 h LEU 79 CO -0.43 -0.36 0.01 -0.26 0.09 0.00 0.00 178.44 177.49 1gd8 h PHE 80 N -0.43 0.06 -0.31 1.13 -1.00 -1.10 0.42 116.94 115.71 1gd8 h PHE 80 Ca 0.07 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1gd8 h PHE 80 Cb 0.53 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1gd8 h PHE 80 CO -0.34 0.24 0.00 -0.40 -1.61 0.00 0.00 178.31 176.20 1gd8 n ASP 81 N -4.96 3.04 0.07 2.17 5.68 -0.74 -4.32 116.55 117.50 1gd8 n ASP 81 Ca -0.07 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 1gd8 n ASP 81 Cb 0.13 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 1gd8 n ASP 81 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1gd8 n GLU 82 N 1.24 0.00 -0.05 0.11 0.00 0.74 -4.85 120.64 117.83 1gd8 n GLU 82 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.21 1gd8 n GLU 82 Cb 0.55 -0.16 -0.07 0.00 0.00 0.00 0.00 31.44 31.75 1gd8 n GLU 82 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1gd8 h ILE 83 N 0.00 1.35 0.07 6.31 1.08 -1.21 -3.27 117.51 121.84 1gd8 h ILE 83 Ca 0.00 -1.29 0.02 0.00 -0.39 0.00 0.00 64.86 63.20 1gd8 h ILE 83 Cb 0.00 1.91 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 1gd8 h ILE 83 CO 0.00 0.38 -0.22 0.00 -0.69 0.00 0.00 178.15 177.61 1gd8 h ALA 84 N 0.60 -0.35 -0.97 1.87 0.00 -0.37 -2.76 119.26 117.28 1gd8 h ALA 84 Ca 0.02 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.08 1gd8 h ALA 84 Cb 0.66 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1gd8 h ALA 84 CO 0.03 -0.74 0.57 -1.35 0.00 0.00 0.00 179.25 177.76 1gd8 h PRO 85 N -0.40 0.74 0.00 0.00 0.11 -1.75 -0.45 132.00 130.25 1gd8 h PRO 85 Ca 0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1gd8 h PRO 85 Cb 0.44 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1gd8 h PRO 85 CO -0.15 0.49 -0.03 -0.09 -0.21 0.00 0.00 178.00 178.00 1gd8 h ARG 86 N 0.76 0.00 -0.34 1.05 2.43 -1.54 -2.65 114.38 114.09 1gd8 h ARG 86 Ca 0.54 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.68 1gd8 h ARG 86 Cb 0.80 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 1gd8 h ARG 86 CO -0.37 0.03 0.02 0.66 -1.51 0.00 0.00 179.97 178.80 1gd8 n TYR 87 N -4.09 1.18 0.30 2.20 0.53 -0.20 -4.56 117.16 112.52 1gd8 n TYR 87 Ca -0.03 -0.97 0.15 0.00 -1.02 0.00 0.00 57.90 56.03 1gd8 n TYR 87 Cb 0.12 -0.38 0.71 0.00 -1.03 0.00 0.00 39.34 38.75 1gd8 n TYR 87 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1gd8 h ARG 88 N 1.97 0.00 0.13 -0.72 -0.00 -1.25 -2.77 114.38 111.74 1gd8 h ARG 88 Ca 0.05 0.00 -0.36 0.00 -0.50 0.00 0.00 59.98 59.16 1gd8 h ARG 88 Cb 1.59 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.55 1gd8 h ARG 88 CO 0.31 0.00 -1.96 0.38 0.00 0.00 0.00 179.97 178.70 1gd8 h ASP 89 N 0.00 0.44 -4.20 7.04 3.04 -1.83 -3.47 116.42 117.43 1gd8 h ASP 89 Ca 0.00 -0.94 -0.49 0.00 -3.24 0.00 0.00 57.03 52.36 1gd8 h ASP 89 Cb 0.22 -0.14 0.05 0.00 -1.04 0.00 0.00 39.33 38.42 1gd8 h ASP 89 CO 0.00 1.84 0.38 -0.13 -2.04 0.00 0.00 179.24 179.29 1gd8 s ARG 90 N -2.56 3.51 -0.35 4.15 0.52 -1.05 -4.99 118.95 118.18 1gd8 s ARG 90 Ca -0.21 1.11 0.12 0.00 -0.52 0.00 0.00 55.73 56.22 1gd8 s ARG 90 Cb 0.06 -2.06 0.45 0.00 0.52 0.00 0.00 34.95 33.92 1gd8 s ARG 90 CO 0.78 -0.65 1.08 0.94 0.02 0.00 0.00 175.30 177.48 1gd8 n GLN 91 N -1.94 2.59 0.00 3.54 7.27 -1.26 -4.97 117.38 122.61 1gd8 n GLN 91 Ca 0.08 -3.95 0.00 0.00 0.07 0.00 0.00 57.00 53.20 1gd8 n GLN 91 Cb 0.53 -1.89 0.00 0.00 2.41 0.00 0.00 30.24 31.30 1gd8 n GLN 91 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1gd8 n GLY 92 N -0.42 2.25 3.81 1.69 0.00 -1.26 -5.05 105.19 106.21 1gd8 n GLY 92 Ca 0.27 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 1gd8 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gd8 n GLY 93 N -1.67 -0.27 0.21 -0.02 0.00 -1.26 -4.86 105.19 97.32 1gd8 n GLY 93 Ca 0.00 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1gd8 n GLY 93 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1gd8 h TYR 94 N -1.86 0.00 -3.35 1.61 -1.99 -1.95 -3.45 116.97 105.98 1gd8 h TYR 94 Ca -0.62 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.46 1gd8 h TYR 94 Cb 1.37 0.00 -0.25 0.00 2.00 0.00 0.00 36.73 39.85 1gd8 h TYR 94 CO 0.48 0.11 -0.73 0.99 -0.00 0.00 0.00 178.16 179.01 1gd8 s THR 95 N -3.22 3.35 -0.14 -2.88 2.01 -1.26 -0.36 115.64 113.14 1gd8 s THR 95 Ca 0.06 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 1gd8 s THR 95 Cb 0.06 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1gd8 s THR 95 CO 0.67 0.52 0.07 -0.60 -0.69 0.00 0.00 174.62 174.59 1gd8 s ARG 96 N 0.27 3.60 -0.19 4.92 3.52 0.16 -4.84 118.95 126.39 1gd8 s ARG 96 Ca -0.07 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.23 1gd8 s ARG 96 Cb -0.15 -3.11 0.02 0.00 -1.56 0.00 0.00 34.95 30.15 1gd8 s ARG 96 CO 0.04 0.51 -0.18 0.08 -0.81 0.00 0.00 175.30 174.95 1gd8 s VAL 97 N -0.29 2.21 -0.19 7.11 1.01 -1.26 -1.34 120.40 127.65 1gd8 s VAL 97 Ca 0.09 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1gd8 s VAL 97 Cb -0.12 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.33 1gd8 s VAL 97 CO 0.01 0.48 -0.13 -0.76 0.00 0.00 0.00 175.10 174.70 1gd8 s LEU 98 N 1.29 2.21 0.20 3.92 1.43 0.39 -4.95 118.68 123.18 1gd8 s LEU 98 Ca 0.04 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 1gd8 s LEU 98 Cb -0.14 -1.30 -0.09 0.00 0.03 0.00 0.00 46.19 44.69 1gd8 s LEU 98 CO -0.11 -0.10 1.36 -0.75 0.23 0.00 0.00 176.35 176.98 1gd8 s LYS 99 N 1.37 4.34 0.32 1.70 2.20 -1.26 -0.35 119.74 128.07 1gd8 s LYS 99 Ca 0.01 2.13 0.03 0.00 -0.36 0.00 0.00 55.97 57.78 1gd8 s LYS 99 Cb -0.15 -3.17 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1gd8 s LYS 99 CO -0.09 -0.32 0.49 -0.51 -0.36 0.00 0.00 175.35 174.55 1gd8 s LEU 100 N -0.05 4.06 0.00 5.43 1.43 -0.41 -4.91 118.68 124.23 1gd8 s LEU 100 Ca 0.58 0.19 0.28 0.00 -1.03 0.00 0.00 54.13 54.15 1gd8 s LEU 100 Cb -0.38 -3.04 1.07 0.00 0.03 0.00 0.00 46.19 43.87 1gd8 s LEU 100 CO 0.39 -0.30 1.77 0.00 0.23 0.00 0.00 176.35 178.44 1gd8 n ALA 101 N -1.67 2.85 -2.43 4.21 0.00 -1.26 -4.53 120.51 117.68 1gd8 n ALA 101 Ca -0.05 -0.31 -0.38 0.00 0.00 0.00 0.00 53.44 52.71 1gd8 n ALA 101 Cb 0.57 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1gd8 n ALA 101 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1gd8 s GLU 102 N -2.48 3.99 0.06 0.00 2.56 -1.26 -5.01 118.70 116.55 1gd8 s GLU 102 Ca 0.27 0.49 0.08 0.00 0.00 0.00 0.00 54.97 55.81 1gd8 s GLU 102 Cb 0.20 -3.18 -0.03 0.00 2.00 0.00 0.00 34.13 33.12 1gd8 s GLU 102 CO 0.49 0.65 -0.22 1.03 -0.56 0.00 0.00 175.26 176.65 1gd8 s ARG 103 N -1.24 1.40 0.65 4.30 0.52 -1.26 -1.64 118.95 121.69 1gd8 s ARG 103 Ca 0.27 -1.02 -0.14 0.00 -0.52 0.00 0.00 55.73 54.32 1gd8 s ARG 103 Cb -0.17 -1.57 -0.01 0.00 0.52 0.00 0.00 34.95 33.72 1gd8 s ARG 103 CO 0.16 0.40 1.08 -0.98 0.02 0.00 0.00 175.30 175.97 1gd8 s ARG 104 N -1.35 2.97 -0.04 3.54 1.70 -0.45 -4.91 118.95 120.41 1gd8 s ARG 104 Ca 0.08 1.20 -0.26 0.00 -0.47 0.00 0.00 55.73 56.28 1gd8 s ARG 104 Cb -0.09 -1.98 -0.03 0.00 -0.57 0.00 0.00 34.95 32.27 1gd8 s ARG 104 CO 0.02 -1.09 0.82 -0.98 -1.08 0.00 0.00 175.30 173.00 1gd8 s ARG 105 N -4.38 4.49 0.00 3.89 3.03 -1.26 -2.29 118.95 122.43 1gd8 s ARG 105 Ca 0.63 1.12 0.00 0.00 2.03 0.00 0.00 55.73 59.51 1gd8 s ARG 105 Cb -0.17 -3.46 0.00 0.00 -1.03 0.00 0.00 34.95 30.30 1gd8 s ARG 105 CO 0.44 0.01 0.00 0.41 -1.13 0.00 0.00 175.30 175.03 1gd8 n GLY 106 N 3.02 1.86 0.09 3.88 0.00 -1.26 -4.74 105.19 108.05 1gd8 n GLY 106 Ca 0.02 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1gd8 n GLY 106 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1gd8 h ASP 107 N 0.00 0.00 -0.01 1.61 -0.00 -2.01 -3.48 116.42 112.54 1gd8 h ASP 107 Ca 0.00 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.03 56.92 1gd8 h ASP 107 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1gd8 h ASP 107 CO 0.00 0.06 -0.00 0.61 -0.00 0.00 0.00 179.24 179.90 1gd8 n GLY 108 N 1.25 0.47 3.71 7.15 0.00 -0.97 -5.00 105.19 111.81 1gd8 n GLY 108 Ca 0.01 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1gd8 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gd8 n ALA 109 N 1.00 1.91 -1.78 4.61 0.00 -1.26 -4.47 120.51 120.53 1gd8 n ALA 109 Ca -0.00 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 1gd8 n ALA 109 Cb 0.01 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.06 1gd8 n ALA 109 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1gd8 s PRO 110 N -0.34 4.38 0.38 0.00 0.04 -1.26 -1.34 135.00 136.87 1gd8 s PRO 110 Ca 0.67 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.91 1gd8 s PRO 110 Cb -0.57 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.87 1gd8 s PRO 110 CO 0.48 -0.16 0.57 -0.51 0.04 0.00 0.00 177.00 177.42 1gd8 s LEU 111 N -1.64 3.85 -0.08 -3.56 1.43 -0.65 -2.49 118.68 115.54 1gd8 s LEU 111 Ca 0.49 0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.62 1gd8 s LEU 111 Cb -0.39 -3.04 0.03 0.00 0.03 0.00 0.00 46.19 42.82 1gd8 s LEU 111 CO 0.51 -0.51 0.32 0.00 0.23 0.00 0.00 176.35 176.90 1gd8 s ALA 112 N -2.36 -0.80 -0.23 4.21 0.00 -0.29 -1.29 121.76 121.01 1gd8 s ALA 112 Ca 0.45 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 53.01 1gd8 s ALA 112 Cb -0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 1gd8 s ALA 112 CO 0.35 -0.19 0.14 -1.17 0.00 0.00 0.00 175.76 174.89 1gd8 s LEU 113 N -0.37 4.06 -0.10 0.00 1.98 0.53 -2.15 118.68 122.63 1gd8 s LEU 113 Ca -0.05 0.11 -0.00 0.00 -2.89 0.00 0.00 54.13 51.30 1gd8 s LEU 113 Cb -0.03 -2.08 -0.03 0.00 0.66 0.00 0.00 46.19 44.71 1gd8 s LEU 113 CO 0.02 0.09 -0.08 -0.69 -1.89 0.00 0.00 176.35 173.80 1gd8 s VAL 114 N 0.90 3.54 0.20 1.68 1.01 0.67 -0.46 120.40 127.93 1gd8 s VAL 114 Ca 0.07 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 1gd8 s VAL 114 Cb -0.13 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.81 1gd8 s VAL 114 CO 0.03 0.55 0.60 -1.83 0.00 0.00 0.00 175.10 174.45 1gd8 s GLU 115 N -0.22 1.44 0.07 2.72 -1.05 -0.45 -0.40 118.70 120.81 1gd8 s GLU 115 Ca 0.03 -0.74 -0.29 0.00 -0.15 0.00 0.00 54.97 53.81 1gd8 s GLU 115 Cb -0.13 0.57 -0.05 0.00 -0.44 0.00 0.00 34.13 34.08 1gd8 s GLU 115 CO 0.03 -0.63 0.94 -0.51 0.95 0.00 0.00 175.26 176.03 1gd8 s LEU 116 N -2.84 4.46 0.44 1.83 1.02 -1.20 0.40 118.68 122.79 1gd8 s LEU 116 Ca 0.06 1.70 -0.24 0.00 0.02 0.00 0.00 54.13 55.68 1gd8 s LEU 116 Cb -0.02 -3.53 -0.08 0.00 0.02 0.00 0.00 46.19 42.58 1gd8 s LEU 116 CO -0.04 -0.11 1.25 0.54 0.02 0.00 0.00 176.35 178.01 1gd8 s VAL 117 N 0.27 2.75 0.00 -1.59 0.11 0.51 -4.80 120.40 117.66 1gd8 s VAL 117 Ca 0.47 0.62 0.00 0.00 -2.93 0.00 0.00 61.98 60.14 1gd8 s VAL 117 Cb -0.22 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 1gd8 s VAL 117 CO 0.28 0.04 0.00 -0.62 -3.33 0.00 0.00 175.10 171.48