#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ri9 h LYS 8 N 0.00 0.00 0.00 5.31 3.11 -1.98 -0.14 116.57 122.87 1ri9 h LYS 8 Ca 0.00 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 1ri9 h LYS 8 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1ri9 h LYS 8 CO 0.00 0.00 -0.34 0.93 -2.81 0.00 0.00 179.45 177.23 1ri9 h GLU 9 N 0.00 0.00 -0.31 1.90 4.39 -1.95 -2.55 114.58 116.06 1ri9 h GLU 9 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1ri9 h GLU 9 Cb 0.15 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1ri9 h GLU 9 CO 0.00 0.34 0.07 1.49 -1.16 0.00 0.00 179.01 179.75 1ri9 h GLU 10 N 0.00 0.45 -0.06 2.33 4.22 -1.05 -0.84 114.58 119.62 1ri9 h GLU 10 Ca -0.00 -0.07 -0.11 0.00 0.08 0.00 0.00 59.36 59.26 1ri9 h GLU 10 Cb 0.71 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1ri9 h GLU 10 CO 0.04 0.43 -0.46 0.87 -2.18 0.00 0.00 179.01 177.71 1ri9 h LYS 11 N 0.45 0.15 -0.21 1.92 6.56 -1.58 0.21 116.57 124.07 1ri9 h LYS 11 Ca 0.11 -0.08 -0.07 0.00 -1.06 0.00 0.00 60.65 59.55 1ri9 h LYS 11 Cb 0.19 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.85 1ri9 h LYS 11 CO -0.00 0.59 -0.14 0.22 -2.06 0.00 0.00 179.45 178.06 1ri9 h ASP 12 N 0.12 0.49 0.15 0.86 3.58 -1.18 0.85 116.42 121.29 1ri9 h ASP 12 Ca 0.01 -0.44 -0.01 0.00 0.42 0.00 0.00 57.03 57.01 1ri9 h ASP 12 Cb 0.87 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1ri9 h ASP 12 CO 0.07 0.82 -0.07 0.15 -2.88 0.00 0.00 179.24 177.33 1ri9 h PHE 13 N 0.16 -0.18 -0.00 0.28 3.04 -1.11 -3.03 116.94 116.10 1ri9 h PHE 13 Ca 0.04 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1ri9 h PHE 13 Cb 0.65 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.22 1ri9 h PHE 13 CO 0.07 0.22 0.00 -0.09 -2.02 0.00 0.00 178.31 176.49 1ri9 h ARG 14 N -0.65 0.00 0.43 1.11 2.43 -0.65 2.20 114.38 119.26 1ri9 h ARG 14 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1ri9 h ARG 14 Cb 0.48 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1ri9 h ARG 14 CO 0.03 0.00 -0.49 -0.22 -1.51 0.00 0.00 179.97 177.78 1ri9 h LYS 15 N 0.00 -0.91 0.02 0.20 3.11 -0.70 0.35 116.57 118.64 1ri9 h LYS 15 Ca 0.00 0.06 -0.26 0.00 -2.81 0.00 0.00 60.65 57.64 1ri9 h LYS 15 Cb 0.00 0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.40 1ri9 h LYS 15 CO -0.00 -0.61 -1.40 -0.22 -2.81 0.00 0.00 179.45 174.41 1ri9 h LYS 16 N -0.95 0.05 -1.00 1.90 1.63 -1.44 -3.28 116.57 113.49 1ri9 h LYS 16 Ca -0.05 -0.08 -0.19 0.00 -0.85 0.00 0.00 60.65 59.48 1ri9 h LYS 16 Cb 0.84 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.39 1ri9 h LYS 16 CO -0.10 0.81 0.24 1.19 -3.45 0.00 0.00 179.45 178.15 1ri9 n PHE 17 N -3.24 1.16 0.00 1.91 3.01 0.74 -4.61 117.46 116.42 1ri9 n PHE 17 Ca -0.10 -0.99 0.00 0.00 1.01 0.00 0.00 57.45 57.37 1ri9 n PHE 17 Cb 1.01 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1ri9 n PHE 17 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1ri9 n LYS 18 N -0.11 0.00 -1.88 -1.08 0.00 0.12 -4.42 118.16 110.79 1ri9 n LYS 18 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 58.11 1ri9 n LYS 18 Cb 0.94 -0.86 -0.03 0.00 0.00 0.00 0.00 35.03 35.08 1ri9 n LYS 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1ri9 s TYR 19 N -0.16 2.01 -0.58 5.64 5.04 -1.26 -4.95 117.35 123.09 1ri9 s TYR 19 Ca 0.00 0.08 -0.14 0.00 -2.44 0.00 0.00 57.07 54.57 1ri9 s TYR 19 Cb 0.00 -4.03 0.14 0.00 0.35 0.00 0.00 41.96 38.42 1ri9 s TYR 19 CO 0.00 -4.33 0.52 -0.51 -1.34 0.00 0.00 175.55 169.89 1ri9 s ASP 20 N 3.17 6.18 0.00 4.32 1.01 -1.26 -5.00 116.67 125.08 1ri9 s ASP 20 Ca 0.78 -1.99 0.00 0.00 0.71 0.00 0.00 52.55 52.05 1ri9 s ASP 20 Cb -0.39 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1ri9 s ASP 20 CO 0.34 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.56 1ri9 n GLY 21 N 4.93 3.19 3.29 0.21 0.00 -1.26 -5.11 105.19 110.44 1ri9 n GLY 21 Ca -0.08 -1.38 -0.45 0.00 0.00 0.00 0.00 46.02 44.11 1ri9 n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ri9 s GLU 22 N -1.95 3.32 -0.36 1.61 -6.30 -1.26 -5.02 118.70 108.74 1ri9 s GLU 22 Ca 0.00 -2.35 -0.28 0.00 -2.50 0.00 0.00 54.97 49.84 1ri9 s GLU 22 Cb 0.00 -4.28 -0.02 0.00 0.00 0.00 0.00 34.13 29.83 1ri9 s GLU 22 CO 0.00 -1.27 1.79 0.42 0.02 0.00 0.00 175.26 176.22 1ri9 s ILE 23 N 0.36 3.48 -0.24 -3.70 1.01 -1.26 -4.87 121.20 115.98 1ri9 s ILE 23 Ca 0.15 0.47 -0.05 0.00 0.00 0.00 0.00 60.65 61.22 1ri9 s ILE 23 Cb -0.15 -3.70 0.12 0.00 0.01 0.00 0.00 42.46 38.74 1ri9 s ILE 23 CO -0.06 -0.48 0.47 -0.60 0.00 0.00 0.00 174.94 174.27 1ri9 s ARG 24 N 5.78 0.40 -0.58 2.79 3.52 -1.26 -5.09 118.95 124.50 1ri9 s ARG 24 Ca 0.78 0.97 -0.26 0.00 -0.13 0.00 0.00 55.73 57.08 1ri9 s ARG 24 Cb -0.21 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.37 1ri9 s ARG 24 CO 0.32 -0.40 2.06 0.54 -0.81 0.00 0.00 175.30 177.02 1ri9 s VAL 25 N 2.67 3.23 -0.20 7.11 0.11 -1.26 -4.59 120.40 127.48 1ri9 s VAL 25 Ca 0.04 0.11 -0.17 0.00 -2.93 0.00 0.00 61.98 59.04 1ri9 s VAL 25 Cb -0.13 -3.61 -0.20 0.00 -1.53 0.00 0.00 36.38 30.91 1ri9 s VAL 25 CO -0.16 -0.59 0.17 -0.11 -3.33 0.00 0.00 175.10 171.08 1ri9 n LEU 26 N 14.01 2.07 -3.80 2.54 0.00 -1.20 -4.74 117.00 125.89 1ri9 n LEU 26 Ca 0.27 0.35 -0.29 0.00 0.00 0.00 0.00 56.01 56.34 1ri9 n LEU 26 Cb 0.53 -0.98 -0.13 0.00 0.00 0.00 0.00 43.42 42.83 1ri9 n LEU 26 CO 0.70 0.46 -0.21 -0.72 0.00 0.00 0.00 177.39 177.62 1ri9 s TYR 27 N -2.43 2.52 -0.34 1.96 1.13 -1.25 -5.07 117.35 113.86 1ri9 s TYR 27 Ca -0.29 -2.77 -0.29 0.00 -1.41 0.00 0.00 57.07 52.32 1ri9 s TYR 27 Cb 0.07 -2.25 -0.01 0.00 -1.10 0.00 0.00 41.96 38.67 1ri9 s TYR 27 CO 0.62 -0.75 1.57 -1.54 -2.51 0.00 0.00 175.55 172.94 1ri9 s SER 28 N -0.06 6.22 0.44 -0.18 1.04 -1.26 -4.05 113.70 115.86 1ri9 s SER 28 Ca 0.19 1.15 -0.03 0.00 0.48 0.00 0.00 55.95 57.74 1ri9 s SER 28 Cb -0.22 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 1ri9 s SER 28 CO -0.02 -1.47 0.70 0.28 0.98 0.00 0.00 173.24 173.71 1ri9 s THR 29 N 5.79 4.71 -0.13 2.02 -1.32 -1.24 -4.79 115.64 120.68 1ri9 s THR 29 Ca 0.69 -0.14 -0.07 0.00 -1.21 0.00 0.00 61.69 60.96 1ri9 s THR 29 Cb -0.19 -3.77 -0.04 0.00 -1.51 0.00 0.00 72.50 67.00 1ri9 s THR 29 CO 0.32 -0.64 0.13 -0.54 -2.21 0.00 0.00 174.62 171.68 1ri9 s LYS 30 N -4.60 3.56 -0.16 7.08 1.02 -1.26 -3.44 119.74 121.94 1ri9 s LYS 30 Ca 0.46 -0.16 -0.29 0.00 0.02 0.00 0.00 55.97 56.00 1ri9 s LYS 30 Cb -0.10 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 1ri9 s LYS 30 CO 0.41 0.69 1.48 0.08 -0.92 0.00 0.00 175.35 177.09 1ri9 s VAL 31 N -0.76 3.89 0.15 3.17 1.01 0.62 -3.84 120.40 124.63 1ri9 s VAL 31 Ca 0.14 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 1ri9 s VAL 31 Cb -0.12 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 1ri9 s VAL 31 CO 0.03 -0.20 1.14 -0.89 0.00 0.00 0.00 175.10 175.18 1ri9 s THR 32 N 4.24 3.85 0.65 3.92 2.01 -1.26 -1.78 115.64 127.28 1ri9 s THR 32 Ca 0.65 1.52 0.08 0.00 0.31 0.00 0.00 61.69 64.25 1ri9 s THR 32 Cb -0.25 -3.97 0.08 0.00 0.01 0.00 0.00 72.50 68.36 1ri9 s THR 32 CO 0.24 0.23 1.24 0.00 -0.69 0.00 0.00 174.62 175.63 1ri9 h THR 33 N 3.91 0.00 -0.34 -0.82 1.03 -1.91 4.67 112.91 119.45 1ri9 h THR 33 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1ri9 h THR 33 Cb 1.21 0.17 0.00 0.00 -1.07 0.00 0.00 68.15 68.47 1ri9 h THR 33 CO 0.75 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.72 1ri9 n SER 34 N -2.59 2.54 -4.34 0.00 3.41 -1.26 -4.57 113.62 106.81 1ri9 n SER 34 Ca -0.01 -2.19 -0.29 0.00 -0.26 0.00 0.00 58.87 56.13 1ri9 n SER 34 Cb 0.83 -0.39 0.20 0.00 -0.26 0.00 0.00 64.21 64.59 1ri9 n SER 34 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1ri9 s ILE 35 N -1.66 1.85 -0.11 -1.33 -1.16 1.53 -4.63 121.20 115.69 1ri9 s ILE 35 Ca 0.26 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 60.10 1ri9 s ILE 35 Cb 0.16 -2.56 -0.04 0.00 0.61 0.00 0.00 42.46 40.63 1ri9 s ILE 35 CO 0.13 0.00 1.48 0.28 -2.81 0.00 0.00 174.94 174.02 1ri9 s THR 36 N -3.09 3.90 -0.01 4.00 -1.32 -1.25 -4.64 115.64 113.23 1ri9 s THR 36 Ca 0.68 1.08 0.01 0.00 -1.21 0.00 0.00 61.69 62.25 1ri9 s THR 36 Cb -0.14 -3.71 -0.02 0.00 -1.51 0.00 0.00 72.50 67.13 1ri9 s THR 36 CO 0.56 -0.11 0.01 -0.24 -2.21 0.00 0.00 174.62 172.64 1ri9 n SER 37 N 6.95 4.69 -0.11 8.08 2.88 -1.26 -4.39 113.62 130.46 1ri9 n SER 37 Ca 0.16 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.49 1ri9 n SER 37 Cb 0.44 0.67 -0.08 0.00 -0.75 0.00 0.00 64.21 64.48 1ri9 n SER 37 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ri9 n LYS 38 N -1.92 0.47 -2.06 -1.46 2.85 -1.26 -4.94 118.16 109.85 1ri9 n LYS 38 Ca -0.02 0.18 -0.42 0.00 -1.05 0.00 0.00 58.31 57.01 1ri9 n LYS 38 Cb 0.41 -1.30 -0.03 0.00 -0.65 0.00 0.00 35.03 33.46 1ri9 n LYS 38 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1ri9 s LYS 39 N -2.40 4.23 -0.08 -1.58 2.47 -1.26 -4.99 119.74 116.13 1ri9 s LYS 39 Ca -0.30 2.17 -0.04 0.00 -1.56 0.00 0.00 55.97 56.24 1ri9 s LYS 39 Cb 0.11 -3.63 0.04 0.00 -1.46 0.00 0.00 37.83 32.89 1ri9 s LYS 39 CO 0.40 -0.68 0.18 -1.58 0.16 0.00 0.00 175.35 173.83 1ri9 s TRP 40 N 2.70 -0.22 0.27 4.03 0.23 -1.26 -4.86 118.94 119.83 1ri9 s TRP 40 Ca 0.70 0.60 0.11 0.00 -2.03 0.00 0.00 56.10 55.48 1ri9 s TRP 40 Cb -0.36 -0.07 -0.05 0.00 0.03 0.00 0.00 33.47 33.02 1ri9 s TRP 40 CO 0.30 -0.21 -0.15 0.20 0.96 0.00 0.00 176.95 178.05 1ri9 s GLY 41 N 1.40 1.82 0.37 0.98 0.00 -1.26 -4.98 107.32 105.65 1ri9 s GLY 41 Ca -0.07 -1.81 0.08 0.00 0.00 0.00 0.00 44.72 42.91 1ri9 s GLY 41 CO -0.07 -1.89 1.95 0.00 0.00 0.00 0.00 173.10 173.09 1ri9 h THR 42 N 2.21 0.97 -0.46 0.90 1.03 -2.01 0.28 112.91 115.82 1ri9 h THR 42 Ca -0.41 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 65.75 1ri9 h THR 42 Cb 1.26 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.55 1ri9 h THR 42 CO 0.60 0.13 0.00 0.54 -0.01 0.00 0.00 175.52 176.77 1ri9 n ARG 43 N -4.49 2.35 -3.84 0.00 1.74 -1.26 -4.92 116.66 106.24 1ri9 n ARG 43 Ca 0.12 -2.06 -0.21 0.00 -0.77 0.00 0.00 57.85 54.92 1ri9 n ARG 43 Cb 0.29 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1ri9 n ARG 43 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ri9 s ASP 44 N -1.28 5.63 0.10 0.55 2.15 0.97 -2.16 116.67 122.64 1ri9 s ASP 44 Ca 0.39 -0.29 -0.03 0.00 0.43 0.00 0.00 52.55 53.05 1ri9 s ASP 44 Cb 0.21 -1.26 -0.05 0.00 -0.30 0.00 0.00 42.92 41.52 1ri9 s ASP 44 CO 0.29 -0.25 0.30 -0.22 -0.17 0.00 0.00 175.17 175.12 1ri9 s LEU 45 N -3.99 4.31 -0.19 -1.34 2.96 -1.18 -4.58 118.68 114.67 1ri9 s LEU 45 Ca 0.39 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 1ri9 s LEU 45 Cb -0.08 -3.13 0.26 0.00 0.50 0.00 0.00 46.19 43.75 1ri9 s LEU 45 CO 0.27 0.11 1.45 1.67 -1.32 0.00 0.00 176.35 178.54 1ri9 n GLN 46 N 0.23 1.53 -0.93 1.98 7.27 -1.26 -4.83 117.38 121.37 1ri9 n GLN 46 Ca -0.04 -1.23 -0.31 0.00 0.07 0.00 0.00 57.00 55.49 1ri9 n GLN 46 Cb 0.51 -1.48 0.14 0.00 2.41 0.00 0.00 30.24 31.83 1ri9 n GLN 46 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1ri9 s VAL 47 N -1.41 2.56 0.20 1.69 -7.23 -1.26 -5.04 120.40 109.91 1ri9 s VAL 47 Ca 0.23 0.18 0.08 0.00 -1.81 0.00 0.00 61.98 60.67 1ri9 s VAL 47 Cb 0.20 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1ri9 s VAL 47 CO 0.04 -0.24 -0.03 -1.59 -0.31 0.00 0.00 175.10 172.97 1ri9 s LYS 48 N -4.75 2.28 0.06 4.82 0.00 -1.26 -4.66 119.74 116.23 1ri9 s LYS 48 Ca 0.65 -1.24 -0.30 0.00 0.00 0.00 0.00 55.97 55.07 1ri9 s LYS 48 Cb -0.20 -2.24 -0.05 0.00 0.00 0.00 0.00 37.83 35.33 1ri9 s LYS 48 CO 0.58 0.42 1.16 -1.25 0.00 0.00 0.00 175.35 176.26 1ri9 s PRO 49 N -3.14 4.46 0.00 1.78 0.04 -1.26 -3.05 135.00 133.84 1ri9 s PRO 49 Ca 0.28 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1ri9 s PRO 49 Cb -0.08 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1ri9 s PRO 49 CO 0.18 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1ri9 n GLY 50 N 3.10 0.99 3.96 0.56 0.00 -0.73 -4.61 105.19 108.47 1ri9 n GLY 50 Ca 0.08 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1ri9 n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ri9 s GLU 51 N -0.93 2.62 -0.07 1.61 2.02 -1.13 -4.88 118.70 117.95 1ri9 s GLU 51 Ca 0.00 -1.44 0.03 0.00 0.02 0.00 0.00 54.97 53.57 1ri9 s GLU 51 Cb 0.00 -2.58 0.01 0.00 0.10 0.00 0.00 34.13 31.66 1ri9 s GLU 51 CO 0.00 -0.35 -0.15 0.45 0.02 0.00 0.00 175.26 175.23 1ri9 s SER 52 N -4.32 2.07 0.13 -0.19 0.15 -1.26 0.23 113.70 110.51 1ri9 s SER 52 Ca 0.53 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.81 1ri9 s SER 52 Cb -0.07 -0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 63.25 1ri9 s SER 52 CO 0.32 0.06 0.06 -0.22 1.20 0.00 0.00 173.24 174.66 1ri9 s LEU 53 N 0.60 1.76 0.11 3.45 2.96 -1.22 -4.93 118.68 121.40 1ri9 s LEU 53 Ca -0.15 -1.19 -0.30 0.00 -0.22 0.00 0.00 54.13 52.26 1ri9 s LEU 53 Cb -0.16 0.33 -0.06 0.00 0.50 0.00 0.00 46.19 46.79 1ri9 s LEU 53 CO 0.05 -0.73 1.03 -1.61 -1.32 0.00 0.00 176.35 173.77 1ri9 s GLU 54 N -4.04 4.62 -0.20 1.98 8.01 -1.21 -3.63 118.70 124.23 1ri9 s GLU 54 Ca 0.24 1.55 -0.08 0.00 0.01 0.00 0.00 54.97 56.69 1ri9 s GLU 54 Cb 0.07 -3.36 -0.04 0.00 -4.31 0.00 0.00 34.13 26.49 1ri9 s GLU 54 CO 0.01 0.08 0.09 0.08 0.01 0.00 0.00 175.26 175.54 1ri9 s VAL 55 N 0.21 4.95 0.00 2.63 1.01 -1.26 -0.84 120.40 127.11 1ri9 s VAL 55 Ca 0.50 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1ri9 s VAL 55 Cb -0.25 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1ri9 s VAL 55 CO 0.31 0.43 0.00 -0.38 0.00 0.00 0.00 175.10 175.45 1ri9 n ILE 56 N 3.78 0.00 -3.47 2.22 5.41 0.22 -3.22 119.36 124.31 1ri9 n ILE 56 Ca -0.16 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.32 1ri9 n ILE 56 Cb 0.52 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.43 1ri9 n ILE 56 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1ri9 s GLN 57 N 2.75 3.54 -0.01 0.38 -1.52 -1.26 -4.66 119.66 118.88 1ri9 s GLN 57 Ca 0.00 -0.23 -0.30 0.00 -1.95 0.00 0.00 55.36 52.88 1ri9 s GLN 57 Cb 0.00 -2.71 -0.06 0.00 -0.22 0.00 0.00 33.01 30.01 1ri9 s GLN 57 CO 0.00 0.25 1.59 0.95 -0.25 0.00 0.00 175.29 177.83 1ri9 s THR 58 N -2.10 3.48 0.00 -0.19 -4.23 -1.25 -3.41 115.64 107.94 1ri9 s THR 58 Ca 0.41 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 1ri9 s THR 58 Cb -0.10 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.25 1ri9 s THR 58 CO 0.32 -0.04 0.79 0.41 -0.54 0.00 0.00 174.62 175.56 1ri9 n THR 59 N 5.10 0.00 0.00 3.99 -1.04 0.92 -4.80 114.28 118.45 1ri9 n THR 59 Ca 0.16 1.29 0.00 0.00 -2.04 0.00 0.00 64.05 63.45 1ri9 n THR 59 Cb 0.42 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 1ri9 n THR 59 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ri9 n ASP 60 N -1.58 0.00 0.02 8.00 9.92 -1.26 -5.02 116.55 126.62 1ri9 n ASP 60 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1ri9 n ASP 60 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1ri9 n ASP 60 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ri9 n ASP 61 N 0.00 0.96 -3.48 -2.24 9.92 -1.26 -4.88 116.55 115.56 1ri9 n ASP 61 Ca 0.00 0.13 -0.29 0.00 -0.53 0.00 0.00 54.79 54.10 1ri9 n ASP 61 Cb 0.00 -0.31 -0.07 0.00 -0.64 0.00 0.00 41.12 40.10 1ri9 n ASP 61 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1ri9 n THR 62 N -3.49 2.70 -3.66 -3.53 -1.04 -1.26 -5.00 114.28 99.00 1ri9 n THR 62 Ca -0.03 -5.31 -0.09 0.00 -2.04 0.00 0.00 64.05 56.59 1ri9 n THR 62 Cb 0.19 -2.10 -0.08 0.00 -1.82 0.00 0.00 70.33 66.52 1ri9 n THR 62 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1ri9 s LYS 63 N -2.53 0.60 -0.12 -2.82 2.20 -1.26 -2.67 119.74 113.15 1ri9 s LYS 63 Ca 0.39 1.05 0.03 0.00 -0.36 0.00 0.00 55.97 57.08 1ri9 s LYS 63 Cb 0.14 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 1ri9 s LYS 63 CO 0.00 -0.15 -0.22 0.14 -0.36 0.00 0.00 175.35 174.77 1ri9 s VAL 64 N 1.46 1.97 -0.22 4.02 -7.23 -1.09 -0.05 120.40 119.25 1ri9 s VAL 64 Ca -0.09 -0.95 -0.21 0.00 -1.81 0.00 0.00 61.98 58.92 1ri9 s VAL 64 Cb -0.06 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1ri9 s VAL 64 CO -0.16 0.54 0.65 -0.22 -0.31 0.00 0.00 175.10 175.59 1ri9 s LEU 65 N 0.62 4.11 0.32 1.32 2.96 -1.22 -2.77 118.68 124.02 1ri9 s LEU 65 Ca -0.12 0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 54.54 1ri9 s LEU 65 Cb -0.17 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.57 1ri9 s LEU 65 CO 0.03 -0.33 0.59 0.00 -1.32 0.00 0.00 176.35 175.32 1ri9 s ARG 67 N -3.73 0.50 -0.00 0.00 3.52 -0.02 -2.20 118.95 117.03 1ri9 s ARG 67 Ca 0.45 -0.23 0.08 0.00 -0.13 0.00 0.00 55.73 55.90 1ri9 s ARG 67 Cb -0.11 -0.48 -0.02 0.00 -1.56 0.00 0.00 34.95 32.78 1ri9 s ARG 67 CO 0.31 0.13 -0.25 0.54 -0.81 0.00 0.00 175.30 175.23 1ri9 s ASN 68 N -0.17 2.96 0.16 -2.12 4.22 -1.08 -3.33 114.94 115.58 1ri9 s ASN 68 Ca 0.02 -0.48 0.08 0.00 -2.14 0.00 0.00 52.86 50.34 1ri9 s ASN 68 Cb -0.03 -0.32 0.44 0.00 1.28 0.00 0.00 41.25 42.63 1ri9 s ASN 68 CO -0.00 0.29 1.16 1.21 -2.04 0.00 0.00 177.10 177.72 1ri9 n GLU 69 N 2.31 0.05 0.04 3.55 2.13 -1.26 -0.95 120.64 126.52 1ri9 n GLU 69 Ca -0.16 0.49 0.03 0.00 0.66 0.00 0.00 57.16 58.17 1ri9 n GLU 69 Cb 0.52 -1.82 0.16 0.00 0.27 0.00 0.00 31.44 30.56 1ri9 n GLU 69 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1ri9 n GLU 70 N -1.75 0.04 -0.68 5.31 4.07 -1.26 -4.75 120.64 121.62 1ri9 n GLU 70 Ca -0.01 0.52 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 1ri9 n GLU 70 Cb 0.16 -1.64 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 1ri9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ri9 n GLY 71 N -1.43 0.63 3.27 8.31 0.00 -0.12 -4.90 105.19 110.94 1ri9 n GLY 71 Ca -0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 1ri9 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ri9 s LYS 72 N -0.73 1.24 0.37 1.61 2.36 -1.22 -3.50 119.74 119.88 1ri9 s LYS 72 Ca 0.00 -1.07 0.08 0.00 -2.55 0.00 0.00 55.97 52.43 1ri9 s LYS 72 Cb 0.00 -1.45 -0.04 0.00 -1.05 0.00 0.00 37.83 35.29 1ri9 s LYS 72 CO 0.00 0.35 0.20 0.71 1.55 0.00 0.00 175.35 178.16 1ri9 s TYR 73 N -1.00 2.69 0.12 4.03 1.51 -1.26 -2.63 117.35 120.81 1ri9 s TYR 73 Ca 0.07 -0.45 -0.22 0.00 -1.01 0.00 0.00 57.07 55.47 1ri9 s TYR 73 Cb -0.09 -1.82 0.06 0.00 -0.11 0.00 0.00 41.96 39.99 1ri9 s TYR 73 CO 0.03 0.21 0.54 0.20 -1.11 0.00 0.00 175.55 175.43 1ri9 s GLY 74 N -3.92 -0.49 0.15 0.71 0.00 -0.93 -4.88 107.32 97.96 1ri9 s GLY 74 Ca 0.40 0.42 0.05 0.00 0.00 0.00 0.00 44.72 45.59 1ri9 s GLY 74 CO 0.24 0.12 0.13 -0.19 0.00 0.00 0.00 173.10 173.39 1ri9 s TYR 75 N -3.36 3.17 -0.06 1.90 2.02 -0.92 -1.47 117.35 118.63 1ri9 s TYR 75 Ca -0.00 0.01 -0.02 0.00 -0.37 0.00 0.00 57.07 56.68 1ri9 s TYR 75 Cb -0.00 -1.54 0.04 0.00 -0.40 0.00 0.00 41.96 40.06 1ri9 s TYR 75 CO -0.09 0.52 0.13 0.08 -1.57 0.00 0.00 175.55 174.61 1ri9 s VAL 76 N -1.68 -0.12 0.30 0.71 1.01 -1.11 -3.08 120.40 116.44 1ri9 s VAL 76 Ca 0.31 0.26 -0.26 0.00 0.00 0.00 0.00 61.98 62.28 1ri9 s VAL 76 Cb -0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 36.38 35.95 1ri9 s VAL 76 CO 0.23 0.11 0.93 -0.22 0.00 0.00 0.00 175.10 176.14 1ri9 s LEU 77 N 1.56 4.38 0.64 3.92 0.20 -1.26 -2.69 118.68 125.43 1ri9 s LEU 77 Ca -0.04 1.82 0.35 0.00 0.69 0.00 0.00 54.13 56.95 1ri9 s LEU 77 Cb -0.12 -3.93 1.98 0.00 -0.43 0.00 0.00 46.19 43.69 1ri9 s LEU 77 CO -0.05 -0.03 2.19 0.08 -0.29 0.00 0.00 176.35 178.24 1ri9 h ARG 78 N 3.32 0.00 -0.10 1.98 -0.00 -1.90 -2.49 114.38 115.19 1ri9 h ARG 78 Ca -0.47 0.00 0.03 0.00 -0.00 0.00 0.00 59.98 59.55 1ri9 h ARG 78 Cb 1.19 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 31.10 1ri9 h ARG 78 CO 0.65 0.00 -0.49 1.03 -0.00 0.00 0.00 179.97 181.16 1ri9 h SER 79 N 0.00 -1.54 -3.58 0.08 0.87 -1.91 -3.28 113.55 104.19 1ri9 h SER 79 Ca 0.02 0.19 -0.65 0.00 -1.23 0.00 0.00 61.79 60.13 1ri9 h SER 79 Cb 0.29 0.60 -0.40 0.00 -0.44 0.00 0.00 62.40 62.45 1ri9 h SER 79 CO -0.00 -0.47 -0.50 -0.72 -0.53 0.00 0.00 176.83 174.61 1ri9 s TYR 80 N -5.80 3.50 0.20 2.24 -0.85 -0.94 -5.03 117.35 110.68 1ri9 s TYR 80 Ca -0.16 -3.20 -0.23 0.00 -0.52 0.00 0.00 57.07 52.97 1ri9 s TYR 80 Cb 0.08 -2.87 0.06 0.00 0.38 0.00 0.00 41.96 39.62 1ri9 s TYR 80 CO 0.62 -0.65 0.95 -1.17 -1.52 0.00 0.00 175.55 173.78 1ri9 s LEU 81 N -1.01 -0.11 0.89 -3.49 2.96 -1.24 -3.93 118.68 112.75 1ri9 s LEU 81 Ca 0.22 -0.58 -0.14 0.00 -0.22 0.00 0.00 54.13 53.41 1ri9 s LEU 81 Cb -0.12 2.25 0.15 0.00 0.50 0.00 0.00 46.19 48.97 1ri9 s LEU 81 CO -0.10 -1.05 1.25 0.00 -1.32 0.00 0.00 176.35 175.13 1ri9 s ALA 82 N -2.89 2.46 -1.66 5.97 0.00 -1.25 -4.74 121.76 119.66 1ri9 s ALA 82 Ca 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1ri9 s ALA 82 Cb -0.02 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1ri9 s ALA 82 CO 0.05 -2.08 0.41 -0.25 0.00 0.00 0.00 175.76 173.89