#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 4.30 -0.08 7.52 1.43 -1.26 -5.02 118.68 125.57 1ga5 s LEU -1 Ca 0.00 0.85 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 1ga5 s LEU -1 Cb 0.00 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 1ga5 s LEU -1 CO 0.00 0.03 -0.19 -0.76 0.23 0.00 0.00 176.35 175.66 1ga5 s LEU 0 N 0.45 2.43 0.06 1.79 1.43 -1.26 0.94 118.68 124.52 1ga5 s LEU 0 Ca 0.26 -0.38 -0.31 0.00 -1.03 0.00 0.00 54.13 52.68 1ga5 s LEU 0 Cb -0.15 -1.49 -0.08 0.00 0.03 0.00 0.00 46.19 44.49 1ga5 s LEU 0 CO 0.11 0.24 1.68 0.00 0.23 0.00 0.00 176.35 178.61 1ga5 h LYS 2 N 8.58 0.00 0.05 0.00 1.79 -1.78 -0.04 116.57 125.17 1ga5 h LYS 2 Ca -0.43 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 57.79 1ga5 h LYS 2 Cb 1.20 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 1ga5 h LYS 2 CO 0.93 0.03 -1.37 0.28 -1.08 0.00 0.00 179.45 178.25 1ga5 h VAL 3 N 0.00 0.94 -0.00 0.50 2.07 -1.90 -3.43 116.25 114.43 1ga5 h VAL 3 Ca -0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1ga5 h VAL 3 Cb 0.08 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1ga5 h VAL 3 CO 0.00 0.55 -0.09 0.00 0.02 0.00 0.00 177.57 178.05 1ga5 n GLY 5 N 0.80 1.37 2.94 0.00 0.00 -0.03 -1.31 105.19 108.96 1ga5 n GLY 5 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -3.72 -4.72 1.61 -0.08 -1.26 -4.30 116.55 104.08 1ga5 n ASP 6 Ca 0.00 -0.85 -0.42 0.00 -1.51 0.00 0.00 54.79 52.02 1ga5 n ASP 6 Cb 0.00 -0.91 -0.03 0.00 2.34 0.00 0.00 41.12 42.52 1ga5 n ASP 6 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1ga5 s VAL 7 N -2.12 4.27 0.21 5.18 -7.23 -1.26 0.70 120.40 120.15 1ga5 s VAL 7 Ca 0.62 1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 62.21 1ga5 s VAL 7 Cb -0.10 -4.10 -0.08 0.00 0.56 0.00 0.00 36.38 32.65 1ga5 s VAL 7 CO 0.51 0.19 1.00 0.00 -0.31 0.00 0.00 175.10 176.48 1ga5 s ALA 8 N 0.63 3.34 -1.35 1.32 0.00 0.27 -4.16 121.76 121.81 1ga5 s ALA 8 Ca 0.53 0.69 0.23 0.00 0.00 0.00 0.00 51.96 53.42 1ga5 s ALA 8 Cb -0.27 -3.27 0.14 0.00 0.00 0.00 0.00 23.12 19.73 1ga5 s ALA 8 CO 0.30 0.03 1.16 -1.13 0.00 0.00 0.00 175.76 176.13 1ga5 n SER 9 N 1.82 1.12 0.00 0.00 3.41 0.70 -4.67 113.62 116.00 1ga5 n SER 9 Ca -0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 1ga5 n SER 9 Cb 0.47 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 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 1.46 -0.68 3.30 5.00 0.00 -1.21 -5.03 105.19 108.03 1ga5 n GLY 10 Ca 0.07 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.00 3.19 -0.08 1.61 5.36 -1.26 -1.64 117.98 122.16 1ga5 s PHE 11 Ca 0.00 -1.24 0.03 0.00 -0.96 0.00 0.00 56.93 54.76 1ga5 s PHE 11 Cb 0.00 -2.24 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1ga5 s PHE 11 CO 0.00 -0.66 -0.17 -1.01 -1.46 0.00 0.00 175.22 171.92 1ga5 s HIS 12 N 1.44 1.92 -1.34 10.12 3.76 0.57 -4.75 115.29 127.01 1ga5 s HIS 12 Ca 0.00 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 1ga5 s HIS 12 Cb -0.18 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.18 1ga5 s HIS 12 CO 0.02 -0.33 0.00 0.66 -0.85 0.00 0.00 174.74 174.24 1ga5 n TYR 13 N 3.65 -0.97 0.00 1.40 4.01 -1.26 -1.82 117.16 122.17 1ga5 n TYR 13 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1ga5 n TYR 13 Cb 0.52 -2.94 0.00 0.00 -0.31 0.00 0.00 39.34 36.61 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 -0.65 0.28 2.94 2.72 0.00 -0.99 -1.82 105.19 107.67 1ga5 n GLY 14 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 0.05 0.32 1.61 -7.23 -0.75 -4.93 120.40 107.46 1ga5 s VAL 15 Ca 0.00 -0.42 -0.29 0.00 -1.81 0.00 0.00 61.98 59.46 1ga5 s VAL 15 Cb 0.00 -0.16 -0.11 0.00 0.56 0.00 0.00 36.38 36.68 1ga5 s VAL 15 CO 0.00 -0.23 1.42 -0.76 -0.31 0.00 0.00 175.10 175.22 1ga5 s LEU 16 N -0.68 4.38 0.17 1.32 1.43 -1.26 -0.31 118.68 123.73 1ga5 s LEU 16 Ca -0.07 2.81 -0.17 0.00 -1.03 0.00 0.00 54.13 55.66 1ga5 s LEU 16 Cb -0.05 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.56 1ga5 s LEU 16 CO -0.00 -0.71 0.49 0.00 0.23 0.00 0.00 176.35 176.36 1ga5 s ALA 17 N -0.73 -0.96 0.79 4.21 0.00 -0.65 -2.24 121.76 122.18 1ga5 s ALA 17 Ca 0.54 -0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 1ga5 s ALA 17 Cb -0.43 0.81 0.07 0.00 0.00 0.00 0.00 23.12 23.57 1ga5 s ALA 17 CO 0.53 -0.75 1.15 0.00 0.00 0.00 0.00 175.76 176.69 1ga5 h GLU 19 N -1.00 0.59 -0.67 0.00 4.39 -1.94 -2.43 114.58 113.51 1ga5 h GLU 19 Ca -0.46 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.04 1ga5 h GLU 19 Cb 1.31 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 1ga5 h GLU 19 CO 0.65 0.71 0.37 0.78 -1.16 0.00 0.00 179.01 180.36 1ga5 h GLY 20 N 0.96 0.99 1.93 -3.84 0.00 -1.95 -2.10 103.07 99.07 1ga5 h GLY 20 Ca 0.09 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1ga5 h GLY 20 CO 0.04 0.43 -0.28 0.00 0.00 0.00 0.00 176.54 176.72 1ga5 h LYS 22 N 0.00 -0.03 -0.31 0.00 3.64 -1.17 -1.09 116.57 117.61 1ga5 h LYS 22 Ca -0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1ga5 h LYS 22 Cb 1.17 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1ga5 h LYS 22 CO 0.03 0.33 0.07 0.78 -2.27 0.00 0.00 179.45 178.38 1ga5 h GLY 23 N -0.39 0.55 0.51 5.01 0.00 -1.41 -2.06 103.07 105.28 1ga5 h GLY 23 Ca -0.00 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.02 1ga5 h GLY 23 CO 0.01 0.32 -0.12 -2.75 0.00 0.00 0.00 176.54 174.00 1ga5 h PHE 24 N 0.35 -0.29 0.57 5.60 3.04 -1.27 0.19 116.94 125.13 1ga5 h PHE 24 Ca 0.10 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 1ga5 h PHE 24 Cb 0.31 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1ga5 h PHE 24 CO 0.02 -0.18 -0.42 0.35 -2.02 0.00 0.00 178.31 176.06 1ga5 h PHE 25 N -0.13 -1.14 0.12 0.41 3.57 -1.13 0.17 116.94 118.81 1ga5 h PHE 25 Ca 0.09 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1ga5 h PHE 25 Cb 0.27 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 1ga5 h PHE 25 CO -0.25 -0.61 -0.50 -0.09 -2.23 0.00 0.00 178.31 174.63 1ga5 h ARG 26 N -0.97 -0.69 -0.84 1.11 2.43 -1.21 0.22 114.38 114.44 1ga5 h ARG 26 Ca -0.07 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.29 1ga5 h ARG 26 Cb 0.81 0.16 -0.14 0.00 -0.42 0.00 0.00 29.97 30.37 1ga5 h ARG 26 CO 0.02 -0.46 -0.28 -2.13 -1.51 0.00 0.00 179.97 175.61 1ga5 n ARG 27 N -5.30 -0.15 0.19 0.20 0.63 0.66 -1.35 116.66 111.54 1ga5 n ARG 27 Ca -0.08 1.29 -0.08 0.00 -0.92 0.00 0.00 57.85 58.07 1ga5 n ARG 27 Cb 0.39 -1.92 -0.04 0.00 0.45 0.00 0.00 32.46 31.34 1ga5 n ARG 27 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1ga5 h SER 28 N 0.00 -0.42 0.00 6.15 0.02 0.58 -3.26 113.55 116.63 1ga5 h SER 28 Ca 0.33 0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 61.05 1ga5 h SER 28 Cb 0.54 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1ga5 h SER 28 CO -0.84 -0.27 1.29 0.00 -1.14 0.00 0.00 176.83 175.87 1ga5 n ILE 29 N -3.48 2.06 0.00 3.27 3.06 0.67 -3.42 119.36 121.52 1ga5 n ILE 29 Ca -0.06 -1.14 0.00 0.00 -2.50 0.00 0.00 62.75 59.05 1ga5 n ILE 29 Cb 0.19 -1.95 0.00 0.00 0.54 0.00 0.00 39.64 38.42 1ga5 n ILE 29 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ga5 n GLN 30 N 3.45 0.00 -0.30 9.51 6.02 -0.98 -4.83 117.38 130.24 1ga5 n GLN 30 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1ga5 n GLN 30 Cb 0.33 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.59 1ga5 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ga5 n GLN 31 N 0.00 0.00 -0.26 -1.09 10.64 -1.26 -4.57 117.38 120.84 1ga5 n GLN 31 Ca 0.00 0.12 -0.08 0.00 -1.83 0.00 0.00 57.00 55.20 1ga5 n GLN 31 Cb 0.00 -1.13 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 1ga5 n GLN 31 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1ga5 n ASN 32 N 0.47 -0.69 0.00 2.61 4.13 -1.22 -5.03 115.26 115.53 1ga5 n ASN 32 Ca 0.00 0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.41 1ga5 n ASN 32 Cb 0.00 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 1ga5 n ASN 32 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1ga5 n ILE 33 N -0.27 0.00 -2.25 2.41 -5.35 -1.26 -5.13 119.36 107.51 1ga5 n ILE 33 Ca 0.02 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.19 1ga5 n ILE 33 Cb 0.09 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 37.98 1ga5 n ILE 33 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1ga5 s GLN 33 N -2.00 3.78 0.07 6.28 1.11 -1.26 -5.04 119.66 122.60 1ga5 s GLN 33 Ca 0.00 0.80 -0.01 0.00 0.01 0.00 0.00 55.36 56.16 1ga5 s GLN 33 Cb 0.00 -2.15 -0.04 0.00 -1.01 0.00 0.00 33.01 29.81 1ga5 s GLN 33 CO 0.00 -0.36 0.24 0.71 0.01 0.00 0.00 175.29 175.89 1ga5 s TYR 34 N -2.82 3.51 0.88 0.91 2.02 -1.26 -5.07 117.35 115.53 1ga5 s TYR 34 Ca 0.56 0.32 -0.16 0.00 -0.37 0.00 0.00 57.07 57.42 1ga5 s TYR 34 Cb -0.10 -1.81 -0.09 0.00 -0.40 0.00 0.00 41.96 39.55 1ga5 s TYR 34 CO 0.41 0.56 -0.27 1.63 -1.57 0.00 0.00 175.55 176.31 1ga5 n LYS 35 N 0.28 -0.03 -2.30 -0.62 5.02 -1.26 -4.85 118.16 114.40 1ga5 n LYS 35 Ca -0.05 0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.85 1ga5 n LYS 35 Cb 0.51 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 34.19 1ga5 n LYS 35 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1ga5 s ARG 36 N -2.33 4.42 0.27 1.97 1.04 -1.26 -4.53 118.95 118.54 1ga5 s ARG 36 Ca 0.49 1.97 -0.30 0.00 -1.04 0.00 0.00 55.73 56.86 1ga5 s ARG 36 Cb -0.25 -3.05 -0.13 0.00 -2.04 0.00 0.00 34.95 29.48 1ga5 s ARG 36 CO 0.74 -0.04 1.32 0.00 -0.04 0.00 0.00 175.30 177.28 1ga5 n LEU 38 N 1.64 4.53 0.00 0.00 4.77 -1.26 -4.87 117.00 121.80 1ga5 n LEU 38 Ca 0.09 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 53.75 1ga5 n LEU 38 Cb 0.33 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1ga5 n LEU 38 CO 0.62 0.60 0.00 0.29 -1.33 0.00 0.00 177.39 177.57 1ga5 n LYS 39 N 0.14 0.00 -3.08 3.23 4.76 -1.26 -5.13 118.16 116.82 1ga5 n LYS 39 Ca 0.24 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.41 1ga5 n LYS 39 Cb 0.99 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 34.17 1ga5 n LYS 39 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ga5 s ASN 40 N 1.64 6.35 0.00 4.39 2.20 -1.26 -4.90 114.94 123.36 1ga5 s ASN 40 Ca 0.00 0.75 0.00 0.00 -0.94 0.00 0.00 52.86 52.67 1ga5 s ASN 40 Cb 0.00 -2.16 0.00 0.00 -2.00 0.00 0.00 41.25 37.09 1ga5 s ASN 40 CO 0.00 -0.37 0.00 -0.62 -2.94 0.00 0.00 177.10 173.17 1ga5 n GLU 41 N -1.65 0.00 -3.83 3.55 -0.58 -1.26 -4.39 120.64 112.48 1ga5 n GLU 41 Ca -0.01 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.43 1ga5 n GLU 41 Cb 0.55 -0.97 -0.15 0.00 -0.57 0.00 0.00 31.44 30.29 1ga5 n GLU 41 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1ga5 s ASN 42 N -1.32 3.92 -0.14 1.62 0.01 -1.26 -4.92 114.94 112.85 1ga5 s ASN 42 Ca 0.00 -1.47 0.02 0.00 -0.71 0.00 0.00 52.86 50.70 1ga5 s ASN 42 Cb 0.00 -1.03 0.01 0.00 0.41 0.00 0.00 41.25 40.65 1ga5 s ASN 42 CO 0.00 -0.34 -0.20 0.00 -1.51 0.00 0.00 177.10 175.05 1ga5 s SER 44 N 0.97 5.14 -0.31 0.00 1.04 -1.26 -4.92 113.70 114.36 1ga5 s SER 44 Ca -0.04 0.97 -0.29 0.00 0.48 0.00 0.00 55.95 57.07 1ga5 s SER 44 Cb -0.15 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1ga5 s SER 44 CO -0.04 -2.36 1.32 -0.63 0.98 0.00 0.00 173.24 172.51 1ga5 s ILE 45 N 9.59 4.10 0.11 -1.02 -1.09 -1.26 -4.87 121.20 126.76 1ga5 s ILE 45 Ca 0.84 1.23 0.03 0.00 -2.23 0.00 0.00 60.65 60.51 1ga5 s ILE 45 Cb -0.19 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 1ga5 s ILE 45 CO 0.27 -0.51 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.70 1ga5 s VAL 46 N 4.52 0.83 0.31 2.92 1.01 -1.26 -4.28 120.40 124.45 1ga5 s VAL 46 Ca 0.57 -1.93 0.22 0.00 0.00 0.00 0.00 61.98 60.84 1ga5 s VAL 46 Cb -0.16 -1.68 0.35 0.00 0.00 0.00 0.00 36.38 34.89 1ga5 s VAL 46 CO 0.24 -0.81 1.16 -1.14 0.00 0.00 0.00 175.10 174.55 1ga5 n ARG 47 N -0.01 -0.03 -0.06 2.72 0.63 -0.43 -0.24 116.66 119.24 1ga5 n ARG 47 Ca -0.12 0.95 -0.09 0.00 -0.92 0.00 0.00 57.85 57.67 1ga5 n ARG 47 Cb 0.60 -1.83 -0.15 0.00 0.45 0.00 0.00 32.46 31.54 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 -4.27 1.44 -0.75 5.15 -5.35 -1.26 -4.49 119.36 109.83 1ga5 n ILE 48 Ca 0.29 -0.82 0.07 0.00 -0.27 0.00 0.00 62.75 62.03 1ga5 n ILE 48 Cb 1.12 -0.68 0.19 0.00 -1.74 0.00 0.00 39.64 38.52 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 -2.86 3.19 -0.01 7.28 6.94 0.02 -4.73 115.26 125.08 1ga5 n ASN 49 Ca -0.25 -2.73 0.03 0.00 -0.02 0.00 0.00 54.58 51.61 1ga5 n ASN 49 Cb 1.10 -0.40 0.40 0.00 -2.36 0.00 0.00 39.78 38.51 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 1.30 0.57 0.00 -3.83 0.11 -0.84 -2.58 114.38 109.10 1ga5 h ARG 50 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1ga5 h ARG 50 Cb 1.11 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.07 1ga5 h ARG 50 CO 0.11 0.39 -0.31 0.09 0.10 0.00 0.00 179.97 180.35 1ga5 n ASN 51 N -4.46 0.50 0.25 0.08 4.13 -1.26 -4.06 115.26 110.45 1ga5 n ASN 51 Ca 0.03 0.21 0.17 0.00 1.68 0.00 0.00 54.58 56.68 1ga5 n ASN 51 Cb 0.07 -0.18 0.87 0.00 -1.54 0.00 0.00 39.78 39.00 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 0.00 0.00 -1.21 3.52 3.08 -1.80 -3.38 114.38 114.58 1ga5 h ARG 52 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1ga5 h ARG 52 Cb 0.62 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.45 1ga5 h ARG 52 CO 0.00 0.00 -0.47 0.00 -1.07 0.00 0.00 179.97 178.43 1ga5 h GLN 54 N 7.47 1.01 0.03 0.00 4.20 -1.83 -2.28 115.11 123.71 1ga5 h GLN 54 Ca 0.01 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1ga5 h GLN 54 Cb 1.16 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1ga5 h GLN 54 CO 0.15 0.67 -0.07 1.96 -0.67 0.00 0.00 178.83 180.87 1ga5 h GLN 55 N 1.04 -0.13 0.00 1.46 4.20 -1.90 0.84 115.11 120.62 1ga5 h GLN 55 Ca 0.37 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 59.02 1ga5 h GLN 55 Cb 0.13 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1ga5 h GLN 55 CO -0.13 -0.09 -0.34 0.00 -0.67 0.00 0.00 178.83 177.60 1ga5 h ARG 57 N 0.00 -0.64 -0.96 0.00 2.43 -0.81 -1.26 114.38 113.14 1ga5 h ARG 57 Ca -0.00 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.31 1ga5 h ARG 57 Cb 0.78 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.39 1ga5 h ARG 57 CO 0.04 -0.43 0.60 0.35 -1.51 0.00 0.00 179.97 179.02 1ga5 h PHE 58 N -1.07 1.09 -0.48 2.20 3.57 -0.90 0.24 116.94 121.59 1ga5 h PHE 58 Ca -0.07 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1ga5 h PHE 58 Cb 0.51 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1ga5 h PHE 58 CO 0.01 0.46 0.32 0.87 -2.23 0.00 0.00 178.31 177.75 1ga5 h LYS 59 N 0.98 0.61 -0.19 1.11 6.56 -1.38 -2.18 116.57 122.09 1ga5 h LYS 59 Ca 0.46 -0.04 -0.18 0.00 -1.06 0.00 0.00 60.65 59.84 1ga5 h LYS 59 Cb 0.39 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1ga5 h LYS 59 CO -0.24 0.41 -0.60 -0.22 -2.06 0.00 0.00 179.45 176.74 1ga5 h LYS 60 N 0.63 0.63 0.08 3.15 1.63 0.69 -1.71 116.57 121.67 1ga5 h LYS 60 Ca 0.18 -0.43 -0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1ga5 h LYS 60 Cb -0.04 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1ga5 h LYS 60 CO -0.04 1.04 -0.04 0.00 -3.45 0.00 0.00 179.45 176.96 1ga5 h LEU 62 N -0.14 0.36 -0.73 0.00 3.38 -1.53 -1.76 115.31 114.90 1ga5 h LEU 62 Ca -0.01 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.07 1ga5 h LEU 62 Cb 0.11 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 40.65 1ga5 h LEU 62 CO 0.02 0.26 -0.40 -1.28 0.09 0.00 0.00 178.44 177.13 1ga5 h SER 63 N 0.44 -1.41 0.72 -0.43 0.87 -0.74 0.29 113.55 113.29 1ga5 h SER 63 Ca 0.13 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1ga5 h SER 63 Cb -0.03 0.69 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1ga5 h SER 63 CO -0.04 -0.31 0.00 1.33 -0.53 0.00 0.00 176.83 177.28 1ga5 n VAL 64 N -5.42 0.63 0.00 2.23 0.24 -0.34 -4.90 118.33 110.77 1ga5 n VAL 64 Ca 0.05 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 1ga5 n VAL 64 Cb 0.36 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.91 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 0.56 1.07 3.72 7.63 0.00 0.09 -4.94 105.19 113.32 1ga5 n GLY 65 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 4.29 0.03 1.61 -1.94 -0.69 -4.77 119.30 117.84 1ga5 s MET 66 Ca 0.00 2.16 -0.28 0.00 -1.71 0.00 0.00 55.69 55.86 1ga5 s MET 66 Cb 0.00 -3.22 0.10 0.00 2.01 0.00 0.00 34.83 33.72 1ga5 s MET 66 CO 0.00 -0.48 0.85 -1.54 -0.01 0.00 0.00 175.02 173.85 1ga5 s SER 67 N 1.08 -0.38 0.38 3.03 1.04 -0.76 -4.54 113.70 113.55 1ga5 s SER 67 Ca 0.66 -0.03 0.28 0.00 0.48 0.00 0.00 55.95 57.34 1ga5 s SER 67 Cb -0.39 0.42 1.04 0.00 0.10 0.00 0.00 66.02 67.19 1ga5 s SER 67 CO 0.31 -0.69 1.81 0.03 0.98 0.00 0.00 173.24 175.68 1ga5 h ARG 68 N 2.00 0.00 -0.00 4.02 3.08 -1.94 -2.92 114.38 118.62 1ga5 h ARG 68 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1ga5 h ARG 68 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1ga5 h ARG 68 CO 0.31 0.00 -0.17 -0.25 -1.07 0.00 0.00 179.97 178.79 1ga5 n ASP 69 N -2.65 0.52 -0.96 7.04 8.00 -1.26 -3.79 116.55 123.46 1ga5 n ASP 69 Ca 0.02 -0.49 0.07 0.00 0.71 0.00 0.00 54.79 55.11 1ga5 n ASP 69 Cb 0.32 -0.04 0.26 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.02 3.16 -1.77 2.24 0.00 -1.10 -5.02 120.51 117.00 1ga5 n ALA 70 Ca 0.12 -2.38 -0.38 0.00 0.00 0.00 0.00 53.44 50.80 1ga5 n ALA 70 Cb 0.30 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1ga5 n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ga5 s VAL 71 N -2.87 3.45 -0.26 0.00 1.01 -1.25 -2.36 120.40 118.12 1ga5 s VAL 71 Ca 0.43 1.23 -0.03 0.00 0.00 0.00 0.00 61.98 63.61 1ga5 s VAL 71 Cb 0.35 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 33.12 1ga5 s VAL 71 CO 0.08 0.12 0.10 -0.60 0.00 0.00 0.00 175.10 174.81 1ga5 s ARG 72 N -2.17 0.37 0.58 2.72 3.52 -1.26 -4.96 118.95 117.75 1ga5 s ARG 72 Ca 0.54 -0.58 -0.08 0.00 -0.13 0.00 0.00 55.73 55.48 1ga5 s ARG 72 Cb -0.28 -1.61 -0.02 0.00 -1.56 0.00 0.00 34.95 31.48 1ga5 s ARG 72 CO 0.35 -0.90 0.93 -0.06 -0.81 0.00 0.00 175.30 174.81 1ga5 s PHE 73 N 1.95 3.50 0.00 5.12 0.40 -1.26 -4.98 117.98 122.71 1ga5 s PHE 73 Ca 0.07 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 57.38 1ga5 s PHE 73 Cb -0.16 -2.62 0.00 0.00 0.51 0.00 0.00 43.02 40.74 1ga5 s PHE 73 CO -0.25 -0.64 0.00 0.41 0.70 0.00 0.00 175.22 175.44 1ga5 n GLY 74 N -2.59 -2.21 3.76 4.36 0.00 -1.26 -5.00 105.19 102.25 1ga5 n GLY 74 Ca 0.04 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.21 1.74 -0.15 1.61 3.52 -1.26 -5.04 118.95 119.17 1ga5 s ARG 75 Ca 0.00 0.82 -0.14 0.00 -0.13 0.00 0.00 55.73 56.28 1ga5 s ARG 75 Cb 0.00 -1.87 -0.05 0.00 -1.56 0.00 0.00 34.95 31.48 1ga5 s ARG 75 CO 0.00 -1.90 0.30 0.42 -0.81 0.00 0.00 175.30 173.31 1ga5 s ILE 76 N -3.01 5.29 0.00 4.11 1.01 -1.26 -5.07 121.20 122.27 1ga5 s ILE 76 Ca 0.62 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1ga5 s ILE 76 Cb -0.16 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1ga5 s ILE 76 CO 0.56 0.41 0.00 -2.65 0.00 0.00 0.00 174.94 173.25 1ga5 n PRO 77 N 3.42 0.00 0.00 2.79 -0.02 -1.26 -5.31 135.00 134.62 1ga5 n PRO 77 Ca -0.12 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.46 1ga5 n PRO 77 Cb 0.52 -0.02 0.09 0.00 -0.02 0.00 0.00 33.50 34.07 1ga5 n PRO 77 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11