#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgl h ASP 6 N 0.00 0.30 -0.53 1.67 3.32 -2.01 -1.41 116.42 117.77 3dgl h ASP 6 Ca 0.00 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.01 3dgl h ASP 6 Cb 0.00 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3dgl h ASP 6 CO 0.00 0.49 0.35 0.44 -1.72 0.00 0.00 179.24 178.80 3dgl h ASP 7 N 0.29 0.51 -0.09 6.45 3.45 -1.95 -2.00 116.42 123.08 3dgl h ASP 7 Ca 0.06 -0.01 -0.10 0.00 0.43 0.00 0.00 57.03 57.41 3dgl h ASP 7 Cb 0.46 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 3dgl h ASP 7 CO 0.03 0.35 -0.24 0.44 -1.57 0.00 0.00 179.24 178.25 3dgl h ASP 8 N 0.59 0.52 -0.52 6.45 3.45 -1.67 -0.79 116.42 124.45 3dgl h ASP 8 Ca 0.21 -0.18 0.01 0.00 0.43 0.00 0.00 57.03 57.50 3dgl h ASP 8 Cb 0.12 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 3dgl h ASP 8 CO -0.06 0.76 0.35 0.11 -1.57 0.00 0.00 179.24 178.83 3dgl h LYS 9 N 0.46 0.69 -0.01 3.56 1.57 -1.25 -0.24 116.57 121.35 3dgl h LYS 9 Ca 0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3dgl h LYS 9 Cb 0.67 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3dgl h LYS 9 CO 0.05 0.46 0.00 -0.22 -0.57 0.00 0.00 179.45 179.17 3dgl h LYS 10 N 0.71 0.02 -0.43 3.15 1.63 -1.12 -1.53 116.57 119.00 3dgl h LYS 10 Ca 0.19 -0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.05 3dgl h LYS 10 Cb -0.08 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.49 3dgl h LYS 10 CO -0.04 0.22 0.12 1.15 -3.45 0.00 0.00 179.45 177.44 3dgl h THR 11 N -0.18 0.82 -0.79 1.00 2.02 -1.00 -0.89 112.91 113.88 3dgl h THR 11 Ca 0.00 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3dgl h THR 11 Cb 0.21 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 3dgl h THR 11 CO -0.00 0.05 0.38 0.78 0.37 0.00 0.00 175.52 177.09 3dgl h ASN 12 N 0.26 1.04 -0.38 4.18 2.35 -0.98 -0.87 115.58 121.18 3dgl h ASN 12 Ca 0.20 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3dgl h ASN 12 Cb 0.23 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3dgl h ASN 12 CO -0.24 0.88 0.15 -0.50 -1.65 0.00 0.00 177.43 176.07 3dgl h TRP 13 N 1.13 0.58 -0.36 1.19 -0.00 -0.75 -1.99 115.95 115.75 3dgl h TRP 13 Ca 0.27 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.89 59.05 3dgl h TRP 13 Cb 0.12 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.09 3dgl h TRP 13 CO 0.01 0.52 -0.07 -0.07 -0.00 0.00 0.00 178.44 178.83 3dgl h LEU 14 N 0.47 0.57 -0.40 -4.49 3.38 -0.75 0.15 115.31 114.23 3dgl h LEU 14 Ca 0.13 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dgl h LEU 14 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dgl h LEU 14 CO -0.01 0.69 0.26 0.11 0.09 0.00 0.00 178.44 179.58 3dgl h LYS 15 N 0.55 0.54 -0.13 1.13 1.57 -1.07 -1.22 116.57 117.95 3dgl h LYS 15 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3dgl h LYS 15 Cb 0.46 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3dgl h LYS 15 CO 0.02 0.38 0.04 -0.09 -0.57 0.00 0.00 179.45 179.24 3dgl h ARG 16 N 0.54 0.20 -0.46 3.15 2.43 -0.63 -1.52 114.38 118.08 3dgl h ARG 16 Ca 0.15 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3dgl h ARG 16 Cb -0.03 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3dgl h ARG 16 CO -0.03 0.32 0.25 0.82 -1.51 0.00 0.00 179.97 179.82 3dgl h ILE 17 N 0.04 1.01 -0.76 1.20 2.04 -0.66 -0.52 117.51 119.86 3dgl h ILE 17 Ca 0.04 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 3dgl h ILE 17 Cb 0.20 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3dgl h ILE 17 CO -0.00 0.09 0.28 0.22 0.00 0.00 0.00 178.15 178.74 3dgl h TYR 18 N 0.51 1.19 -0.16 1.37 3.20 -1.15 -3.19 116.97 118.74 3dgl h TYR 18 Ca 0.19 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 3dgl h TYR 18 Cb 0.06 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.98 3dgl h TYR 18 CO -0.08 0.92 -0.29 -0.09 -1.64 0.00 0.00 178.16 176.97 3dgl h ARG 19 N 1.11 0.48 0.00 1.82 2.43 -0.56 -3.37 114.38 116.30 3dgl h ARG 19 Ca 0.25 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3dgl h ARG 19 Cb 0.26 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3dgl h ARG 19 CO -0.02 0.90 -0.48 1.33 -1.51 0.00 0.00 179.97 180.19 3dgl n VAL 20 N -4.39 0.32 -3.98 0.20 0.24 -0.27 -4.46 118.33 105.99 3dgl n VAL 20 Ca -0.06 -0.22 -0.30 0.00 -2.04 0.00 0.00 64.34 61.71 3dgl n VAL 20 Cb 0.46 -0.16 -0.14 0.00 -1.47 0.00 0.00 33.84 32.53 3dgl n VAL 20 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3dgl s ARG 21 N -3.12 1.70 0.89 7.34 0.52 -1.21 -5.11 118.95 119.96 3dgl s ARG 21 Ca 0.08 -2.22 -0.15 0.00 -0.52 0.00 0.00 55.73 52.92 3dgl s ARG 21 Cb 0.14 -3.22 0.21 0.00 0.52 0.00 0.00 34.95 32.60 3dgl s ARG 21 CO 0.69 -1.03 0.99 -0.35 0.02 0.00 0.00 175.30 175.63 3dgl n PRO 22 N 3.71 -1.85 -1.51 3.54 -0.04 -1.26 -4.71 135.00 132.87 3dgl n PRO 22 Ca 0.04 -1.56 -0.56 0.00 -0.04 0.00 0.00 63.50 61.39 3dgl n PRO 22 Cb 0.37 -1.22 -0.07 0.00 -0.04 0.00 0.00 33.50 32.55 3dgl n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dgl h VAL 24 N 2.85 0.00 0.00 0.00 -1.51 -1.65 -0.63 116.25 115.31 3dgl h VAL 24 Ca -0.48 -0.26 -0.06 0.00 -1.23 0.00 0.00 66.70 64.67 3dgl h VAL 24 Cb 1.41 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 3dgl h VAL 24 CO 0.67 0.00 -1.02 1.17 -1.23 0.00 0.00 177.57 177.16 3dgl n LYS 25 N -2.55 0.51 0.14 5.19 3.00 -1.26 -4.60 118.16 118.59 3dgl n LYS 25 Ca 0.01 0.33 0.12 0.00 -0.00 0.00 0.00 58.31 58.77 3dgl n LYS 25 Cb 0.21 -1.53 0.09 0.00 0.00 0.00 0.00 35.03 33.80 3dgl n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dgl n LYS 27 N -2.73 -1.27 0.07 0.00 5.02 -0.24 -4.76 118.16 114.24 3dgl n LYS 27 Ca 0.02 1.09 0.00 0.00 -2.02 0.00 0.00 58.31 57.40 3dgl n LYS 27 Cb 0.53 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 30.15 3dgl n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3dgl n VAL 28 N -2.72 0.32 -2.38 -0.18 0.31 -1.26 -4.83 118.33 107.58 3dgl n VAL 28 Ca -0.18 0.11 -0.35 0.00 -0.01 0.00 0.00 64.34 63.90 3dgl n VAL 28 Cb 0.60 -0.95 -0.02 0.00 -0.91 0.00 0.00 33.84 32.56 3dgl n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dgl s ALA 29 N -2.00 2.84 0.82 3.52 0.00 -1.26 -4.74 121.76 120.95 3dgl s ALA 29 Ca 0.00 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 3dgl s ALA 29 Cb 0.00 -3.32 0.09 0.00 0.00 0.00 0.00 23.12 19.89 3dgl s ALA 29 CO 0.00 -0.54 1.09 -1.25 0.00 0.00 0.00 175.76 175.06 3dgl s PRO 30 N -3.08 1.83 0.44 0.00 0.04 -1.26 0.00 135.00 132.97 3dgl s PRO 30 Ca 0.68 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.56 3dgl s PRO 30 Cb -0.22 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 3dgl s PRO 30 CO 0.26 -1.91 0.96 1.03 0.04 0.00 0.00 177.00 177.39 3dgl s ARG 31 N -4.91 4.17 0.83 4.56 0.52 -1.26 -4.03 118.95 118.83 3dgl s ARG 31 Ca 0.62 1.16 -0.10 0.00 -0.52 0.00 0.00 55.73 56.89 3dgl s ARG 31 Cb -0.18 -2.17 0.09 0.00 0.52 0.00 0.00 34.95 33.22 3dgl s ARG 31 CO 0.56 -0.09 1.11 0.34 0.02 0.00 0.00 175.30 177.25 3dgl s ASP 32 N -2.15 3.86 0.21 0.23 2.15 -0.22 -4.85 116.67 115.91 3dgl s ASP 32 Ca 0.63 1.96 -0.22 0.00 0.43 0.00 0.00 52.55 55.35 3dgl s ASP 32 Cb -0.10 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.03 3dgl s ASP 32 CO 0.14 -2.47 0.66 -1.66 -0.17 0.00 0.00 175.17 171.67 3dgl s TRP 33 N -2.81 -0.39 0.09 -5.34 1.48 -1.26 -0.84 118.94 109.88 3dgl s TRP 33 Ca 0.63 0.08 -0.14 0.00 -1.06 0.00 0.00 56.10 55.61 3dgl s TRP 33 Cb -0.19 0.62 0.02 0.00 -1.16 0.00 0.00 33.47 32.76 3dgl s TRP 33 CO 0.57 -1.01 0.33 -1.59 -4.06 0.00 0.00 176.95 171.19 3dgl s LYS 34 N -3.81 0.95 -0.15 3.25 -2.85 -0.38 -4.97 119.74 111.78 3dgl s LYS 34 Ca 0.05 -0.69 -0.05 0.00 -1.00 0.00 0.00 55.97 54.28 3dgl s LYS 34 Cb -0.03 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.12 3dgl s LYS 34 CO -0.05 -0.34 0.01 0.14 0.10 0.00 0.00 175.35 175.22 3dgl s VAL 35 N -3.43 4.35 -0.30 1.79 -7.23 -1.26 -0.52 120.40 113.80 3dgl s VAL 35 Ca 0.01 -0.20 -0.03 0.00 -1.81 0.00 0.00 61.98 59.94 3dgl s VAL 35 Cb 0.02 -2.91 0.10 0.00 0.56 0.00 0.00 36.38 34.15 3dgl s VAL 35 CO -0.09 0.50 0.13 -0.75 -0.31 0.00 0.00 175.10 174.58 3dgl s LYS 36 N 0.10 0.28 5.33 4.82 2.20 0.24 -5.00 119.74 127.71 3dgl s LYS 36 Ca 0.02 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 3dgl s LYS 36 Cb -0.13 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 34.92 3dgl s LYS 36 CO 0.02 -1.03 0.00 0.27 -0.36 0.00 0.00 175.35 174.25 3dgl n ASN 37 N 5.13 0.00 -1.74 1.43 0.23 -1.26 -0.95 115.26 118.10 3dgl n ASN 37 Ca -0.04 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.08 3dgl n ASN 37 Cb 0.42 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.50 3dgl n ASN 37 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3dgl n LYS 38 N 9.80 4.32 -4.65 -3.83 4.01 -1.26 -4.94 118.16 121.60 3dgl n LYS 38 Ca 0.00 -2.97 -0.30 0.00 -0.51 0.00 0.00 58.31 54.53 3dgl n LYS 38 Cb 0.00 -2.09 -0.14 0.00 -0.51 0.00 0.00 35.03 32.29 3dgl n LYS 38 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3dgl s HIS 39 N -2.32 2.36 -0.28 2.13 3.76 -0.13 -1.51 115.29 119.31 3dgl s HIS 39 Ca 0.52 -0.37 -0.10 0.00 -0.15 0.00 0.00 55.06 54.96 3dgl s HIS 39 Cb 0.37 -1.35 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 3dgl s HIS 39 CO 0.20 0.24 0.16 -1.17 -0.85 0.00 0.00 174.74 173.31 3dgl s LEU 40 N -1.62 3.92 -0.33 0.89 2.96 0.81 -0.59 118.68 124.72 3dgl s LEU 40 Ca 0.13 -0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 53.76 3dgl s LEU 40 Cb -0.10 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3dgl s LEU 40 CO 0.04 -0.07 0.39 -0.60 -1.32 0.00 0.00 176.35 174.79 3dgl s ARG 41 N 1.71 3.69 -0.34 1.98 3.52 0.32 -0.38 118.95 129.45 3dgl s ARG 41 Ca 0.07 -0.26 -0.11 0.00 -0.13 0.00 0.00 55.73 55.29 3dgl s ARG 41 Cb -0.16 -3.77 -0.01 0.00 -1.56 0.00 0.00 34.95 29.46 3dgl s ARG 41 CO 0.09 -0.48 0.20 0.42 -0.81 0.00 0.00 175.30 174.72 3dgl s ILE 42 N 2.09 4.92 0.66 4.11 1.01 -0.19 -1.25 121.20 132.55 3dgl s ILE 42 Ca 0.14 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 3dgl s ILE 42 Cb -0.16 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 3dgl s ILE 42 CO 0.12 -0.02 1.05 -0.31 0.00 0.00 0.00 174.94 175.77 3dgl s TYR 43 N 1.66 3.37 0.11 3.97 2.02 -0.02 -1.01 117.35 127.45 3dgl s TYR 43 Ca 0.05 1.35 0.17 0.00 -0.37 0.00 0.00 57.07 58.27 3dgl s TYR 43 Cb -0.18 -2.81 0.49 0.00 -0.40 0.00 0.00 41.96 39.07 3dgl s TYR 43 CO 0.08 -0.97 1.64 -0.91 -1.57 0.00 0.00 175.55 173.83 3dgl h ASN 44 N -0.53 0.00 -2.30 2.29 2.35 -1.54 -3.39 115.58 112.46 3dgl h ASN 44 Ca -0.44 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.71 3dgl h ASN 44 Cb 1.20 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.44 3dgl h ASN 44 CO 0.59 0.45 -0.73 -0.04 -1.65 0.00 0.00 177.43 176.06 3dgl s MET 45 N -3.44 1.85 0.98 0.81 -1.94 -1.26 -1.64 119.30 114.67 3dgl s MET 45 Ca 0.01 -1.64 -0.12 0.00 -1.71 0.00 0.00 55.69 52.23 3dgl s MET 45 Cb 0.10 -1.90 0.18 0.00 2.01 0.00 0.00 34.83 35.22 3dgl s MET 45 CO 0.71 0.35 1.09 0.00 -0.01 0.00 0.00 175.02 177.15 3dgl h LYS 47 N -1.86 0.99 -0.22 0.00 1.63 -1.92 -1.26 116.57 113.93 3dgl h LYS 47 Ca -0.53 -0.28 0.04 0.00 -0.85 0.00 0.00 60.65 59.04 3dgl h LYS 47 Cb 1.31 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.78 3dgl h LYS 47 CO 0.54 0.95 -0.06 1.15 -3.45 0.00 0.00 179.45 178.58 3dgl h THR 48 N 0.89 0.77 -0.24 1.00 2.02 -1.96 0.35 112.91 115.74 3dgl h THR 48 Ca 0.18 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.21 3dgl h THR 48 Cb 0.45 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3dgl h THR 48 CO 0.02 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.46 3dgl h PHE 50 N 0.49 -0.11 -0.66 0.00 3.57 -0.79 0.51 116.94 119.94 3dgl h PHE 50 Ca 0.03 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.61 3dgl h PHE 50 Cb 0.98 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.69 3dgl h PHE 50 CO 0.04 0.02 0.33 -0.91 -2.23 0.00 0.00 178.31 175.56 3dgl h ASN 51 N -0.22 0.45 -0.71 0.41 2.35 -0.89 -1.61 115.58 115.37 3dgl h ASN 51 Ca -0.01 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3dgl h ASN 51 Cb 0.18 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3dgl h ASN 51 CO 0.02 0.28 0.37 -1.13 -1.65 0.00 0.00 177.43 175.32 3dgl h ASN 52 N 0.59 0.91 -0.30 5.81 -1.24 -1.14 -2.51 115.58 117.70 3dgl h ASN 52 Ca 0.32 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.22 3dgl h ASN 52 Cb 0.29 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 3dgl h ASN 52 CO -0.23 0.75 0.14 0.77 -1.29 0.00 0.00 177.43 177.57 3dgl h SER 53 N 1.02 0.43 -0.30 1.15 4.64 0.08 -0.21 113.55 120.36 3dgl h SER 53 Ca 0.25 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 3dgl h SER 53 Cb 0.06 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3dgl h SER 53 CO -0.04 0.39 0.00 0.40 -0.87 0.00 0.00 176.83 176.72 3dgl h ILE 54 N 0.49 1.26 -0.88 0.95 1.08 -1.04 -1.08 117.51 118.30 3dgl h ILE 54 Ca 0.12 -0.94 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 3dgl h ILE 54 Cb 0.09 1.28 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 3dgl h ILE 54 CO -0.01 0.30 0.48 0.44 -0.69 0.00 0.00 178.15 178.67 3dgl h ASP 55 N 0.32 1.10 0.70 1.72 3.32 -0.98 -2.82 116.42 119.79 3dgl h ASP 55 Ca 0.08 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3dgl h ASP 55 Cb 0.43 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3dgl h ASP 55 CO 0.02 0.88 -0.49 2.30 -1.72 0.00 0.00 179.24 180.22 3dgl n ILE 56 N -4.33 0.14 -1.91 0.35 -5.35 -0.19 -4.96 119.36 103.11 3dgl n ILE 56 Ca 0.09 -0.11 -0.02 0.00 -0.27 0.00 0.00 62.75 62.45 3dgl n ILE 56 Cb 0.10 0.02 -0.00 0.00 -1.74 0.00 0.00 39.64 38.02 3dgl n ILE 56 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dgl n GLY 57 N 1.43 0.33 3.45 3.28 0.00 -0.51 -5.06 105.19 108.12 3dgl n GLY 57 Ca 0.05 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 3dgl n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dgl s ASP 58 N -2.94 5.13 0.00 1.61 2.15 -0.61 -4.96 116.67 117.06 3dgl s ASP 58 Ca 0.00 -0.20 0.23 0.00 0.43 0.00 0.00 52.55 53.01 3dgl s ASP 58 Cb 0.00 -1.92 0.41 0.00 -0.30 0.00 0.00 42.92 41.11 3dgl s ASP 58 CO 0.00 -0.03 1.39 -0.90 -0.17 0.00 0.00 175.17 175.46 3dgl n ASP 59 N 4.88 3.45 -0.26 -0.34 5.68 -1.26 -4.61 116.55 124.09 3dgl n ASP 59 Ca -0.16 -1.99 0.07 0.00 -0.50 0.00 0.00 54.79 52.21 3dgl n ASP 59 Cb 0.51 -0.24 0.20 0.00 -1.14 0.00 0.00 41.12 40.46 3dgl n ASP 59 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3dgl h THR 60 N 4.45 0.55 -0.40 2.12 2.02 -1.97 -1.68 112.91 117.99 3dgl h THR 60 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3dgl h THR 60 Cb 0.98 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3dgl h THR 60 CO 0.00 0.06 0.00 -1.22 0.37 0.00 0.00 175.52 174.73 3dgl n TYR 61 N -5.09 0.52 -2.10 3.16 4.01 -1.26 -4.92 117.16 111.47 3dgl n TYR 61 Ca 0.15 -0.26 -0.41 0.00 -0.16 0.00 0.00 57.90 57.23 3dgl n TYR 61 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.48 3dgl n TYR 61 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3dgl s HIS 62 N -1.48 3.08 -5.00 -0.72 3.76 -0.64 -4.53 115.29 109.76 3dgl s HIS 62 Ca 0.38 1.25 0.00 0.00 -0.15 0.00 0.00 55.06 56.54 3dgl s HIS 62 Cb 0.22 -3.71 0.00 0.00 1.11 0.00 0.00 32.58 30.20 3dgl s HIS 62 CO 0.30 -2.13 0.00 0.41 -0.85 0.00 0.00 174.74 172.47 3dgl n GLY 63 N 1.59 -1.19 3.56 -2.22 0.00 -1.26 -4.99 105.19 100.69 3dgl n GLY 63 Ca 0.03 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.50 3dgl n GLY 63 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3dgl s HIS 64 N -2.23 -0.32 -0.06 1.61 -3.43 -1.26 -1.58 115.29 108.01 3dgl s HIS 64 Ca 0.00 0.12 0.01 0.00 -0.80 0.00 0.00 55.06 54.39 3dgl s HIS 64 Cb 0.00 0.57 0.02 0.00 -1.43 0.00 0.00 32.58 31.74 3dgl s HIS 64 CO 0.00 -0.69 -0.08 0.08 -2.00 0.00 0.00 174.74 172.05 3dgl s VAL 65 N -3.30 0.84 0.01 -5.38 1.01 -0.18 -4.97 120.40 108.44 3dgl s VAL 65 Ca 0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 3dgl s VAL 65 Cb -0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 3dgl s VAL 65 CO -0.06 0.30 0.31 -1.81 0.00 0.00 0.00 175.10 173.83 3dgl s ASP 66 N 0.97 6.56 -0.05 3.32 1.01 -1.26 -1.02 116.67 126.19 3dgl s ASP 66 Ca -0.10 0.66 0.02 0.00 0.71 0.00 0.00 52.55 53.84 3dgl s ASP 66 Cb -0.15 -2.13 0.01 0.00 1.01 0.00 0.00 42.92 41.67 3dgl s ASP 66 CO 0.00 0.26 -0.09 0.26 0.21 0.00 0.00 175.17 175.82 3dgl s TRP 67 N -1.27 1.08 0.08 4.23 0.52 0.49 -4.96 118.94 119.12 3dgl s TRP 67 Ca 0.27 -0.35 -0.31 0.00 0.02 0.00 0.00 56.10 55.74 3dgl s TRP 67 Cb -0.14 -0.83 -0.08 0.00 -1.15 0.00 0.00 33.47 31.27 3dgl s TRP 67 CO 0.15 -0.21 1.49 -1.17 0.02 0.00 0.00 176.95 177.24 3dgl s LEU 68 N 0.66 4.36 0.00 2.99 0.20 -1.26 -0.13 118.68 125.49 3dgl s LEU 68 Ca -0.11 2.37 0.29 0.00 0.69 0.00 0.00 54.13 57.36 3dgl s LEU 68 Cb -0.14 -3.58 1.20 0.00 -0.43 0.00 0.00 46.19 43.25 3dgl s LEU 68 CO 0.02 -0.76 1.85 0.23 -0.29 0.00 0.00 176.35 177.40 3dgl n MET 69 N 4.73 0.55 -4.48 1.98 2.81 -0.57 -4.87 117.12 117.27 3dgl n MET 69 Ca 0.13 -0.17 -0.23 0.00 -1.81 0.00 0.00 57.70 55.62 3dgl n MET 69 Cb 0.41 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.32 3dgl n MET 69 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3dgl s TYR 70 N -2.57 2.16 0.03 2.03 1.51 -1.26 -4.59 117.35 114.66 3dgl s TYR 70 Ca 0.26 -0.57 0.11 0.00 -1.01 0.00 0.00 57.07 55.87 3dgl s TYR 70 Cb 0.20 -1.20 0.02 0.00 -0.11 0.00 0.00 41.96 40.87 3dgl s TYR 70 CO 0.49 0.46 1.41 0.00 -1.11 0.00 0.00 175.55 176.80 3dgl h ALA 71 N 2.18 0.58 -3.07 3.71 0.00 -1.85 -3.44 119.26 117.37 3dgl h ALA 71 Ca -0.41 -0.66 -0.65 0.00 0.00 0.00 0.00 54.91 53.19 3dgl h ALA 71 Cb 1.24 -0.12 -0.26 0.00 0.00 0.00 0.00 17.79 18.66 3dgl h ALA 71 CO 0.68 0.91 -0.70 0.34 0.00 0.00 0.00 179.25 180.47 3dgl s ASP 72 N -6.60 4.47 0.00 0.00 3.68 -1.26 -5.02 116.67 111.93 3dgl s ASP 72 Ca 0.02 -0.32 0.11 0.00 2.13 0.00 0.00 52.55 54.49 3dgl s ASP 72 Cb 0.09 -1.76 0.67 0.00 -1.45 0.00 0.00 42.92 40.48 3dgl s ASP 72 CO 0.77 0.03 1.11 -1.20 0.13 0.00 0.00 175.17 176.01