#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ga5 s LEU -1 N 0.00 4.58 0.04 7.52 1.43 -1.26 -4.99 118.68 125.99 1ga5 s LEU -1 Ca 0.00 1.95 0.07 0.00 -1.03 0.00 0.00 54.13 55.13 1ga5 s LEU -1 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 1ga5 s LEU -1 CO 0.00 0.02 -0.19 -0.76 0.23 0.00 0.00 176.35 175.65 1ga5 s LEU 0 N -0.78 2.53 0.19 1.79 1.43 -1.26 -0.13 118.68 122.45 1ga5 s LEU 0 Ca 0.44 -0.44 -0.32 0.00 -1.03 0.00 0.00 54.13 52.78 1ga5 s LEU 0 Cb -0.26 -1.48 -0.12 0.00 0.03 0.00 0.00 46.19 44.36 1ga5 s LEU 0 CO 0.33 0.26 1.75 0.00 0.23 0.00 0.00 176.35 178.92 1ga5 n LYS 2 N 4.36 0.03 -0.10 0.00 4.81 -0.76 -1.47 118.16 125.03 1ga5 n LYS 2 Ca 0.16 0.14 -0.15 0.00 -0.87 0.00 0.00 58.31 57.60 1ga5 n LYS 2 Cb 0.36 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.80 1ga5 n LYS 2 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ga5 n VAL 3 N -1.60 1.49 0.28 3.15 0.31 -1.26 -4.79 118.33 115.91 1ga5 n VAL 3 Ca 0.05 0.02 0.03 0.00 -0.01 0.00 0.00 64.34 64.43 1ga5 n VAL 3 Cb 0.27 -2.19 -0.01 0.00 -0.91 0.00 0.00 33.84 30.99 1ga5 n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ga5 n GLY 5 N 0.89 3.20 3.50 0.00 0.00 -0.54 -1.01 105.19 111.23 1ga5 n GLY 5 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1ga5 n GLY 5 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ga5 n ASP 6 N 0.09 -1.15 -4.70 1.61 -0.08 -1.26 -4.00 116.55 107.06 1ga5 n ASP 6 Ca 0.00 0.19 -0.44 0.00 -1.51 0.00 0.00 54.79 53.03 1ga5 n ASP 6 Cb 0.00 -1.29 -0.03 0.00 2.34 0.00 0.00 41.12 42.14 1ga5 n ASP 6 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1ga5 n VAL 7 N -4.29 0.15 -2.50 5.18 0.24 -1.26 0.14 118.33 115.99 1ga5 n VAL 7 Ca 0.07 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.34 61.95 1ga5 n VAL 7 Cb 0.54 -1.79 -0.04 0.00 -1.47 0.00 0.00 33.84 31.08 1ga5 n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ga5 s ALA 8 N 0.90 3.26 -2.57 2.33 0.00 0.81 -4.20 121.76 122.29 1ga5 s ALA 8 Ca 0.75 0.82 0.21 0.00 0.00 0.00 0.00 51.96 53.74 1ga5 s ALA 8 Cb -0.57 -3.30 0.22 0.00 0.00 0.00 0.00 23.12 19.46 1ga5 s ALA 8 CO 0.37 -0.19 1.21 -1.13 0.00 0.00 0.00 175.76 176.01 1ga5 n SER 9 N 0.63 2.89 0.00 0.00 3.41 0.81 -4.79 113.62 116.57 1ga5 n SER 9 Ca 0.02 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1ga5 n SER 9 Cb 0.47 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1ga5 n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ga5 n GLY 10 N 1.23 -0.55 3.29 5.00 0.00 -1.19 -5.02 105.19 107.94 1ga5 n GLY 10 Ca 0.14 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1ga5 n GLY 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ga5 s PHE 11 N -2.93 3.32 -0.14 1.61 5.36 -1.26 -1.42 117.98 122.52 1ga5 s PHE 11 Ca 0.00 -1.44 0.00 0.00 -0.96 0.00 0.00 56.93 54.54 1ga5 s PHE 11 Cb 0.00 -3.35 -0.01 0.00 -0.34 0.00 0.00 43.02 39.33 1ga5 s PHE 11 CO 0.00 -0.92 -0.15 -1.01 -1.46 0.00 0.00 175.22 171.68 1ga5 s HIS 12 N 1.50 2.77 -1.52 10.12 3.76 0.97 -4.66 115.29 128.22 1ga5 s HIS 12 Ca 0.04 -0.90 -0.00 0.00 -0.15 0.00 0.00 55.06 54.04 1ga5 s HIS 12 Cb -0.26 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.57 1ga5 s HIS 12 CO 0.03 -0.38 0.02 0.66 -0.85 0.00 0.00 174.74 174.21 1ga5 n TYR 13 N 3.84 -1.18 -0.31 1.40 4.01 -1.26 -1.93 117.16 121.73 1ga5 n TYR 13 Ca -0.19 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1ga5 n TYR 13 Cb 0.52 -3.55 0.00 0.00 -0.31 0.00 0.00 39.34 36.00 1ga5 n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ga5 n GLY 14 N -0.96 0.67 3.01 2.72 0.00 -1.20 -1.97 105.19 107.46 1ga5 n GLY 14 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1ga5 n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ga5 s VAL 15 N -2.58 0.09 0.05 1.61 -7.23 -0.81 -4.91 120.40 106.63 1ga5 s VAL 15 Ca 0.00 -0.78 -0.31 0.00 -1.81 0.00 0.00 61.98 59.09 1ga5 s VAL 15 Cb 0.00 -0.30 -0.06 0.00 0.56 0.00 0.00 36.38 36.58 1ga5 s VAL 15 CO 0.00 -0.43 1.22 -0.76 -0.31 0.00 0.00 175.10 174.83 1ga5 s LEU 16 N -1.33 4.36 0.17 1.32 1.43 -1.26 -0.02 118.68 123.35 1ga5 s LEU 16 Ca -0.14 2.03 -0.14 0.00 -1.03 0.00 0.00 54.13 54.85 1ga5 s LEU 16 Cb -0.09 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.57 1ga5 s LEU 16 CO -0.00 -0.50 0.41 0.00 0.23 0.00 0.00 176.35 176.48 1ga5 s ALA 17 N 1.21 -0.54 0.72 4.21 0.00 -0.50 -1.84 121.76 125.02 1ga5 s ALA 17 Ca 0.59 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1ga5 s ALA 17 Cb -0.30 0.83 0.07 0.00 0.00 0.00 0.00 23.12 23.72 1ga5 s ALA 17 CO 0.29 -0.72 1.04 0.00 0.00 0.00 0.00 175.76 176.37 1ga5 h GLU 19 N -0.68 0.76 0.70 0.00 4.39 -1.95 -2.30 114.58 115.50 1ga5 h GLU 19 Ca -0.44 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 1ga5 h GLU 19 Cb 1.31 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1ga5 h GLU 19 CO 0.60 0.57 -0.34 0.78 -1.16 0.00 0.00 179.01 179.46 1ga5 h GLY 20 N 0.84 -0.99 1.95 -3.84 0.00 -1.97 -1.49 103.07 97.58 1ga5 h GLY 20 Ca 0.19 0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.85 1ga5 h GLY 20 CO -0.03 -0.36 -0.18 0.00 0.00 0.00 0.00 176.54 175.97 1ga5 h LYS 22 N 0.06 0.51 -0.20 0.00 3.64 -1.28 -0.27 116.57 119.03 1ga5 h LYS 22 Ca 0.01 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 1ga5 h LYS 22 Cb 0.36 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1ga5 h LYS 22 CO 0.02 0.57 -0.56 0.78 -2.27 0.00 0.00 179.45 178.00 1ga5 h GLY 23 N 0.36 0.80 0.96 5.01 0.00 -0.81 -2.57 103.07 106.81 1ga5 h GLY 23 Ca 0.10 -1.02 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 1ga5 h GLY 23 CO 0.00 0.91 0.14 -2.75 0.00 0.00 0.00 176.54 174.84 1ga5 h PHE 24 N 0.44 0.33 -0.45 5.60 3.04 -0.76 0.50 116.94 125.63 1ga5 h PHE 24 Ca -0.01 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.90 1ga5 h PHE 24 Cb 1.18 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.56 1ga5 h PHE 24 CO 0.09 0.27 0.18 0.35 -2.02 0.00 0.00 178.31 177.17 1ga5 h PHE 25 N 0.30 0.70 0.00 0.41 3.57 -1.09 0.67 116.94 121.50 1ga5 h PHE 25 Ca 0.09 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ga5 h PHE 25 Cb 0.04 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1ga5 h PHE 25 CO -0.04 0.60 -0.00 -0.09 -2.23 0.00 0.00 178.31 176.54 1ga5 h ARG 26 N 0.59 -0.01 -0.76 1.11 2.43 -1.36 -1.90 114.38 114.48 1ga5 h ARG 26 Ca 0.15 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.48 1ga5 h ARG 26 Cb 0.20 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.61 1ga5 h ARG 26 CO -0.01 0.29 -0.12 -0.09 -1.51 0.00 0.00 179.97 178.53 1ga5 h ARG 27 N -0.30 0.03 0.00 0.20 2.43 0.30 0.48 114.38 117.52 1ga5 h ARG 27 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ga5 h ARG 27 Cb 0.30 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ga5 h ARG 27 CO 0.00 0.02 0.00 0.43 -1.51 0.00 0.00 179.97 178.91 1ga5 n SER 28 N -5.45 0.00 -0.45 -3.80 7.64 0.23 -3.70 113.62 108.09 1ga5 n SER 28 Ca 0.12 0.00 0.39 0.00 1.01 0.00 0.00 58.87 60.39 1ga5 n SER 28 Cb 0.43 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 64.29 1ga5 n SER 28 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1ga5 h ILE 29 N 0.00 0.03 -0.07 0.44 3.07 -1.32 -3.04 117.51 116.61 1ga5 h ILE 29 Ca 0.00 -0.01 -0.69 0.00 1.55 0.00 0.00 64.86 65.71 1ga5 h ILE 29 Cb 0.00 0.01 -0.01 0.00 -0.27 0.00 0.00 36.82 36.54 1ga5 h ILE 29 CO 0.00 0.00 3.41 1.67 -1.05 0.00 0.00 178.15 182.19 1ga5 n GLN 30 N -4.77 3.31 0.00 0.16 7.27 0.17 -4.69 117.38 118.82 1ga5 n GLN 30 Ca 0.40 -2.47 0.00 0.00 0.07 0.00 0.00 57.00 54.99 1ga5 n GLN 30 Cb 1.51 -3.04 0.00 0.00 2.41 0.00 0.00 30.24 31.12 1ga5 n GLN 30 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1ga5 n GLN 31 N 4.78 0.00 -1.17 3.69 6.02 -1.15 -4.80 117.38 124.75 1ga5 n GLN 31 Ca 0.64 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 57.32 1ga5 n GLN 31 Cb 0.31 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.47 1ga5 n GLN 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ga5 n ASN 32 N 0.00 1.53 -4.69 1.08 3.02 -1.26 -4.83 115.26 110.11 1ga5 n ASN 32 Ca 0.00 -2.54 -0.31 0.00 -0.03 0.00 0.00 54.58 51.70 1ga5 n ASN 32 Cb 0.00 -1.19 -0.08 0.00 -0.61 0.00 0.00 39.78 37.89 1ga5 n ASN 32 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ga5 s ILE 33 N 11.35 4.10 -0.09 2.41 1.01 -1.26 -5.12 121.20 133.61 1ga5 s ILE 33 Ca 0.73 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 1ga5 s ILE 33 Cb 0.05 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.68 1ga5 s ILE 33 CO 0.24 0.26 0.20 -1.10 0.00 0.00 0.00 174.94 174.54 1ga5 s GLN 33 N -1.90 0.16 0.38 2.79 -1.52 -1.26 -4.99 119.66 113.33 1ga5 s GLN 33 Ca 0.22 0.44 0.01 0.00 -1.95 0.00 0.00 55.36 54.09 1ga5 s GLN 33 Cb -0.12 -0.12 -0.02 0.00 -0.22 0.00 0.00 33.01 32.53 1ga5 s GLN 33 CO 0.14 -0.15 0.57 0.71 -0.25 0.00 0.00 175.29 176.31 1ga5 s TYR 34 N 1.11 3.34 0.40 0.91 2.02 -1.26 -5.07 117.35 118.81 1ga5 s TYR 34 Ca -0.08 0.21 -0.26 0.00 -0.37 0.00 0.00 57.07 56.56 1ga5 s TYR 34 Cb -0.10 -2.04 -0.09 0.00 -0.40 0.00 0.00 41.96 39.33 1ga5 s TYR 34 CO -0.07 -0.05 1.30 0.15 -1.57 0.00 0.00 175.55 175.31 1ga5 s LYS 35 N -4.37 4.02 0.52 -0.62 1.02 -1.26 -4.94 119.74 114.10 1ga5 s LYS 35 Ca 0.43 2.16 -0.22 0.00 0.02 0.00 0.00 55.97 58.36 1ga5 s LYS 35 Cb -0.10 -2.79 -0.07 0.00 -0.52 0.00 0.00 37.83 34.35 1ga5 s LYS 35 CO 0.36 -0.45 1.15 2.89 -0.92 0.00 0.00 175.35 178.37 1ga5 n ARG 36 N 0.21 1.42 -1.55 1.68 -4.01 -1.26 -4.49 116.66 108.65 1ga5 n ARG 36 Ca 0.03 0.52 -0.37 0.00 -1.04 0.00 0.00 57.85 56.99 1ga5 n ARG 36 Cb 0.43 -2.30 0.06 0.00 -3.04 0.00 0.00 32.46 27.61 1ga5 n ARG 36 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ga5 n LEU 38 N -1.02 7.07 0.00 0.00 4.77 -1.26 -4.91 117.00 121.65 1ga5 n LEU 38 Ca 0.14 -4.58 0.00 0.00 -0.03 0.00 0.00 56.01 51.54 1ga5 n LEU 38 Cb 0.48 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1ga5 n LEU 38 CO 0.49 1.70 0.00 0.29 -1.33 0.00 0.00 177.39 178.53 1ga5 n LYS 39 N -0.75 0.00 -2.61 3.23 5.02 -1.26 -5.13 118.16 116.66 1ga5 n LYS 39 Ca 0.56 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.52 1ga5 n LYS 39 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.54 1ga5 n LYS 39 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ga5 s ASN 40 N -4.00 6.55 -0.93 4.39 4.22 -1.26 -4.89 114.94 119.02 1ga5 s ASN 40 Ca 0.00 1.81 -0.07 0.00 -2.14 0.00 0.00 52.86 52.45 1ga5 s ASN 40 Cb 0.00 -2.55 -0.13 0.00 1.28 0.00 0.00 41.25 39.86 1ga5 s ASN 40 CO 0.00 -0.63 2.84 -0.62 -2.04 0.00 0.00 177.10 176.64 1ga5 n GLU 41 N -0.96 2.68 -2.70 3.55 1.02 -1.26 -4.09 120.64 118.87 1ga5 n GLU 41 Ca 0.08 -1.59 -0.05 0.00 -0.02 0.00 0.00 57.16 55.58 1ga5 n GLU 41 Cb 0.53 -2.43 0.09 0.00 -0.02 0.00 0.00 31.44 29.61 1ga5 n GLU 41 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ga5 n ASN 42 N 3.39 -0.34 -4.69 1.62 6.94 -1.26 -5.00 115.26 115.91 1ga5 n ASN 42 Ca 0.57 -2.41 -0.42 0.00 -0.02 0.00 0.00 54.58 52.29 1ga5 n ASN 42 Cb 0.39 0.29 -0.03 0.00 -2.36 0.00 0.00 39.78 38.07 1ga5 n ASN 42 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ga5 s SER 44 N 1.15 6.13 -0.39 0.00 1.04 -1.26 -4.91 113.70 115.46 1ga5 s SER 44 Ca 0.50 1.42 -0.28 0.00 0.48 0.00 0.00 55.95 58.07 1ga5 s SER 44 Cb -0.19 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.42 1ga5 s SER 44 CO 0.19 -1.50 1.07 -0.63 0.98 0.00 0.00 173.24 173.36 1ga5 s ILE 45 N 6.06 4.41 0.29 -1.02 -1.09 -1.26 -4.93 121.20 123.67 1ga5 s ILE 45 Ca 0.75 1.45 0.09 0.00 -2.23 0.00 0.00 60.65 60.71 1ga5 s ILE 45 Cb -0.23 -4.47 -0.06 0.00 -1.58 0.00 0.00 42.46 36.12 1ga5 s ILE 45 CO 0.32 -0.68 -0.12 -0.69 -1.23 0.00 0.00 174.94 172.54 1ga5 s VAL 46 N 3.91 2.05 0.26 2.92 1.01 -1.26 -4.38 120.40 124.91 1ga5 s VAL 46 Ca 0.45 -2.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.13 1ga5 s VAL 46 Cb -0.10 -2.42 0.42 0.00 0.00 0.00 0.00 36.38 34.27 1ga5 s VAL 46 CO 0.22 -0.33 1.44 -1.14 0.00 0.00 0.00 175.10 175.29 1ga5 n ARG 47 N -0.63 -0.08 0.00 2.72 0.63 -0.18 -1.31 116.66 117.81 1ga5 n ARG 47 Ca -0.06 1.44 0.13 0.00 -0.92 0.00 0.00 57.85 58.44 1ga5 n ARG 47 Cb 0.62 -2.16 0.38 0.00 0.45 0.00 0.00 32.46 31.76 1ga5 n ARG 47 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1ga5 n ILE 48 N -5.49 0.00 -1.66 5.15 -5.35 -1.26 -4.24 119.36 106.51 1ga5 n ILE 48 Ca 0.15 -0.06 0.03 0.00 -0.27 0.00 0.00 62.75 62.61 1ga5 n ILE 48 Cb 0.48 0.19 0.05 0.00 -1.74 0.00 0.00 39.64 38.62 1ga5 n ILE 48 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1ga5 n ASN 49 N -1.11 0.78 0.20 7.28 6.94 -0.56 -4.85 115.26 123.94 1ga5 n ASN 49 Ca 0.09 -2.33 0.06 0.00 -0.02 0.00 0.00 54.58 52.38 1ga5 n ASN 49 Cb 0.33 -0.27 0.44 0.00 -2.36 0.00 0.00 39.78 37.92 1ga5 n ASN 49 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 1ga5 h ARG 50 N 0.00 0.00 -0.00 -3.83 0.11 -1.37 -2.65 114.38 106.64 1ga5 h ARG 50 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ga5 h ARG 50 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1ga5 h ARG 50 CO 0.00 0.31 -0.28 0.09 0.10 0.00 0.00 179.97 180.20 1ga5 n ASN 51 N -3.81 0.36 0.24 0.08 4.13 -1.26 -4.05 115.26 110.95 1ga5 n ASN 51 Ca -0.01 -0.08 0.07 0.00 1.68 0.00 0.00 54.58 56.24 1ga5 n ASN 51 Cb 0.40 -0.04 0.57 0.00 -1.54 0.00 0.00 39.78 39.16 1ga5 n ASN 51 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1ga5 h ARG 52 N 0.13 0.00 -2.70 3.52 3.08 -1.84 -3.39 114.38 113.18 1ga5 h ARG 52 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1ga5 h ARG 52 Cb 0.48 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.14 1ga5 h ARG 52 CO 0.00 0.14 -0.74 0.00 -1.07 0.00 0.00 179.97 178.30 1ga5 h GLN 54 N 8.38 0.23 0.24 0.00 4.20 -1.84 -2.22 115.11 124.09 1ga5 h GLN 54 Ca -0.18 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1ga5 h GLN 54 Cb 1.05 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1ga5 h GLN 54 CO 0.39 0.61 -0.11 0.37 -0.67 0.00 0.00 178.83 179.42 1ga5 h GLN 55 N 0.19 -0.31 -0.29 1.46 4.15 -1.93 -1.96 115.11 116.43 1ga5 h GLN 55 Ca 0.02 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.50 1ga5 h GLN 55 Cb 0.82 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1ga5 h GLN 55 CO 0.06 0.03 0.19 0.00 -1.93 0.00 0.00 178.83 177.19 1ga5 h ARG 57 N 0.22 -0.07 -0.62 0.00 2.43 -1.32 -2.53 114.38 112.49 1ga5 h ARG 57 Ca 0.12 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1ga5 h ARG 57 Cb 0.21 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1ga5 h ARG 57 CO -0.02 0.48 0.35 0.35 -1.51 0.00 0.00 179.97 179.61 1ga5 h PHE 58 N -0.69 0.83 0.00 2.20 3.57 -1.08 -0.10 116.94 121.69 1ga5 h PHE 58 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1ga5 h PHE 58 Cb 0.58 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1ga5 h PHE 58 CO 0.12 0.59 0.00 0.87 -2.23 0.00 0.00 178.31 177.66 1ga5 h LYS 59 N 0.84 0.00 0.14 1.11 1.79 -0.97 -1.80 116.57 117.67 1ga5 h LYS 59 Ca 0.22 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.43 1ga5 h LYS 59 Cb 0.02 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1ga5 h LYS 59 CO -0.04 0.00 -1.27 -0.22 -1.08 0.00 0.00 179.45 176.84 1ga5 h LYS 60 N 0.00 0.29 -0.43 3.15 1.63 -0.60 -1.45 116.57 119.16 1ga5 h LYS 60 Ca 0.00 -0.50 0.06 0.00 -0.85 0.00 0.00 60.65 59.36 1ga5 h LYS 60 Cb 0.05 0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 1ga5 h LYS 60 CO 0.00 1.24 0.12 0.00 -3.45 0.00 0.00 179.45 177.36 1ga5 h LEU 62 N 0.27 0.22 -0.72 0.00 3.38 -1.54 -0.54 115.31 116.38 1ga5 h LEU 62 Ca 0.21 -0.25 0.13 0.00 0.09 0.00 0.00 57.88 58.05 1ga5 h LEU 62 Cb 0.23 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.79 1ga5 h LEU 62 CO -0.24 0.41 -0.32 -1.28 0.09 0.00 0.00 178.44 177.10 1ga5 h SER 63 N 0.01 -1.12 0.00 -0.43 0.87 -0.02 0.38 113.55 113.24 1ga5 h SER 63 Ca 0.04 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1ga5 h SER 63 Cb 0.28 0.59 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1ga5 h SER 63 CO 0.00 -0.29 0.00 1.33 -0.53 0.00 0.00 176.83 177.34 1ga5 n VAL 64 N -5.46 0.00 0.00 2.23 0.24 0.99 -4.90 118.33 111.44 1ga5 n VAL 64 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1ga5 n VAL 64 Cb 0.37 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 1ga5 n VAL 64 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ga5 n GLY 65 N 0.65 0.81 3.75 7.63 0.00 0.13 -4.91 105.19 113.26 1ga5 n GLY 65 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1ga5 n GLY 65 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ga5 s MET 66 N -0.69 4.28 -0.25 1.61 -1.94 -0.24 -4.80 119.30 117.26 1ga5 s MET 66 Ca 0.00 2.30 -0.31 0.00 -1.71 0.00 0.00 55.69 55.97 1ga5 s MET 66 Cb 0.00 -3.09 0.17 0.00 2.01 0.00 0.00 34.83 33.92 1ga5 s MET 66 CO 0.00 -0.38 1.29 -1.54 -0.01 0.00 0.00 175.02 174.38 1ga5 s SER 67 N 0.13 -0.10 0.63 3.03 1.04 -0.83 -4.58 113.70 113.01 1ga5 s SER 67 Ca 0.56 0.09 0.40 0.00 0.48 0.00 0.00 55.95 57.48 1ga5 s SER 67 Cb -0.42 0.09 2.07 0.00 0.10 0.00 0.00 66.02 67.86 1ga5 s SER 67 CO 0.47 -0.11 2.25 0.03 0.98 0.00 0.00 173.24 176.86 1ga5 h ARG 68 N 2.12 0.00 -0.04 4.02 3.08 -1.94 -1.71 114.38 119.90 1ga5 h ARG 68 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1ga5 h ARG 68 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1ga5 h ARG 68 CO 0.23 0.01 0.00 -0.25 -1.07 0.00 0.00 179.97 178.89 1ga5 n ASP 69 N -3.13 0.63 -0.32 7.04 8.00 -1.26 -3.43 116.55 124.08 1ga5 n ASP 69 Ca -0.02 -1.42 0.04 0.00 0.71 0.00 0.00 54.79 54.10 1ga5 n ASP 69 Cb 0.15 -0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.26 1ga5 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ga5 n ALA 70 N -0.42 2.44 -1.69 2.24 0.00 -0.64 -5.03 120.51 117.41 1ga5 n ALA 70 Ca 0.17 -0.63 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 1ga5 n ALA 70 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 1ga5 n ALA 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ga5 n VAL 71 N 0.39 1.43 -3.76 0.00 0.31 -1.22 -3.27 118.33 112.20 1ga5 n VAL 71 Ca 0.05 -0.36 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 1ga5 n VAL 71 Cb 0.21 -1.56 -0.15 0.00 -0.91 0.00 0.00 33.84 31.43 1ga5 n VAL 71 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1ga5 s ARG 72 N -1.07 0.93 0.76 5.55 3.52 -1.26 -4.95 118.95 122.43 1ga5 s ARG 72 Ca 0.62 -1.38 -0.12 0.00 -0.13 0.00 0.00 55.73 54.72 1ga5 s ARG 72 Cb -0.60 -2.21 0.05 0.00 -1.56 0.00 0.00 34.95 30.62 1ga5 s ARG 72 CO 0.55 -1.02 1.11 -0.06 -0.81 0.00 0.00 175.30 175.07 1ga5 s PHE 73 N 1.25 3.07 0.00 5.12 0.40 -1.26 -4.97 117.98 121.58 1ga5 s PHE 73 Ca 0.12 1.05 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 1ga5 s PHE 73 Cb -0.19 -3.15 0.00 0.00 0.51 0.00 0.00 43.02 40.19 1ga5 s PHE 73 CO -0.17 -1.52 0.00 0.41 0.70 0.00 0.00 175.22 174.64 1ga5 n GLY 74 N -2.66 -3.08 3.67 4.36 0.00 -1.26 -4.97 105.19 101.26 1ga5 n GLY 74 Ca 0.07 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 1ga5 n GLY 74 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ga5 s ARG 75 N -0.85 0.95 -0.22 1.61 3.52 -1.26 -4.97 118.95 117.73 1ga5 s ARG 75 Ca 0.00 1.11 -0.22 0.00 -0.13 0.00 0.00 55.73 56.49 1ga5 s ARG 75 Cb 0.00 -1.75 -0.02 0.00 -1.56 0.00 0.00 34.95 31.62 1ga5 s ARG 75 CO 0.00 -2.53 0.69 0.42 -0.81 0.00 0.00 175.30 173.06 1ga5 s ILE 76 N -2.75 4.96 -2.00 4.11 1.01 -1.26 -5.18 121.20 120.08 1ga5 s ILE 76 Ca 0.65 1.29 0.12 0.00 0.00 0.00 0.00 60.65 62.70 1ga5 s ILE 76 Cb -0.21 -3.99 0.33 0.00 0.01 0.00 0.00 42.46 38.60 1ga5 s ILE 76 CO 0.58 0.04 1.13 -0.81 0.00 0.00 0.00 174.94 175.89