#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ri9 n LYS 8 N 0.00 0.13 0.10 5.31 0.00 -1.26 -1.32 118.16 121.12 1ri9 n LYS 8 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 58.31 58.84 1ri9 n LYS 8 Cb 0.00 -1.84 0.31 0.00 0.00 0.00 0.00 35.03 33.51 1ri9 n LYS 8 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1ri9 h GLU 9 N 0.00 0.25 -0.82 1.64 4.57 -1.97 -2.34 114.58 115.92 1ri9 h GLU 9 Ca 0.00 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1ri9 h GLU 9 Cb 0.13 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 1ri9 h GLU 9 CO 0.00 0.49 0.42 1.49 -1.18 0.00 0.00 179.01 180.22 1ri9 h GLU 10 N 0.23 1.17 -0.04 1.92 4.81 -1.29 0.21 114.58 121.59 1ri9 h GLU 10 Ca 0.04 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 1ri9 h GLU 10 Cb 0.56 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1ri9 h GLU 10 CO 0.04 0.88 -0.53 0.87 -0.73 0.00 0.00 179.01 179.53 1ri9 h LYS 11 N 1.16 0.11 -0.04 1.92 6.56 -1.59 -2.52 116.57 122.16 1ri9 h LYS 11 Ca 0.29 -0.06 -0.16 0.00 -1.06 0.00 0.00 60.65 59.65 1ri9 h LYS 11 Cb 0.08 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 1ri9 h LYS 11 CO -0.04 0.61 -0.68 0.22 -2.06 0.00 0.00 179.45 177.50 1ri9 h ASP 12 N 0.08 0.25 0.14 0.86 1.82 -0.77 -2.71 116.42 116.09 1ri9 h ASP 12 Ca -0.00 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.47 1ri9 h ASP 12 Cb 0.97 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.91 1ri9 h ASP 12 CO 0.08 0.86 -0.07 0.15 -1.61 0.00 0.00 179.24 178.65 1ri9 h PHE 13 N 0.15 -0.17 -0.05 0.28 3.57 -0.28 -2.69 116.94 117.75 1ri9 h PHE 13 Ca -0.02 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1ri9 h PHE 13 Cb 1.22 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1ri9 h PHE 13 CO 0.02 0.08 0.03 0.07 -2.23 0.00 0.00 178.31 176.28 1ri9 h ARG 14 N -0.40 0.04 0.36 1.11 0.11 -1.48 2.76 114.38 116.88 1ri9 h ARG 14 Ca -0.02 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 1ri9 h ARG 14 Cb 0.32 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.36 1ri9 h ARG 14 CO 0.03 0.03 -0.45 -0.22 0.10 0.00 0.00 179.97 179.45 1ri9 h LYS 15 N 0.04 -0.82 0.08 0.08 3.11 -1.14 0.90 116.57 118.81 1ri9 h LYS 15 Ca 0.02 0.06 -0.29 0.00 -2.81 0.00 0.00 60.65 57.63 1ri9 h LYS 15 Cb 0.03 0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 1ri9 h LYS 15 CO -0.00 -0.55 -1.46 -0.22 -2.81 0.00 0.00 179.45 174.40 1ri9 h LYS 16 N -0.86 0.18 -0.96 1.90 1.63 -1.33 -3.27 116.57 113.86 1ri9 h LYS 16 Ca -0.03 -0.31 -0.16 0.00 -0.85 0.00 0.00 60.65 59.31 1ri9 h LYS 16 Cb 0.78 0.11 -0.09 0.00 -0.60 0.00 0.00 32.23 32.43 1ri9 h LYS 16 CO -0.12 1.02 0.20 1.19 -3.45 0.00 0.00 179.45 178.29 1ri9 n PHE 17 N -3.39 1.13 0.00 1.91 3.01 0.92 -4.60 117.46 116.44 1ri9 n PHE 17 Ca -0.14 -0.86 0.00 0.00 1.01 0.00 0.00 57.45 57.46 1ri9 n PHE 17 Cb 1.03 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 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 -0.06 0.00 -1.86 -1.08 0.00 0.31 -4.43 118.16 111.04 1ri9 n LYS 18 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 58.10 1ri9 n LYS 18 Cb 0.89 -0.86 -0.03 0.00 0.00 0.00 0.00 35.03 35.03 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 -0.13 1.94 -0.58 5.64 5.04 -1.26 -4.95 117.35 123.05 1ri9 s TYR 19 Ca 0.00 0.03 -0.15 0.00 -2.44 0.00 0.00 57.07 54.51 1ri9 s TYR 19 Cb 0.00 -4.05 0.14 0.00 0.35 0.00 0.00 41.96 38.40 1ri9 s TYR 19 CO 0.00 -4.44 0.53 -0.51 -1.34 0.00 0.00 175.55 169.79 1ri9 s ASP 20 N 3.29 6.23 0.00 4.32 1.11 -1.26 -5.00 116.67 125.36 1ri9 s ASP 20 Ca 0.78 -1.96 0.00 0.00 0.18 0.00 0.00 52.55 51.56 1ri9 s ASP 20 Cb -0.39 -2.19 0.00 0.00 1.07 0.00 0.00 42.92 41.41 1ri9 s ASP 20 CO 0.34 -0.79 0.00 0.61 1.18 0.00 0.00 175.17 176.51 1ri9 n GLY 21 N 5.00 3.23 3.31 0.21 0.00 -1.26 -5.10 105.19 110.58 1ri9 n GLY 21 Ca -0.09 -1.39 -0.46 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.90 3.42 -0.37 1.61 2.12 -1.26 -5.02 118.70 117.30 1ri9 s GLU 22 Ca 0.00 -2.33 -0.28 0.00 0.36 0.00 0.00 54.97 52.72 1ri9 s GLU 22 Cb 0.00 -4.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.02 1ri9 s GLU 22 CO 0.00 -1.29 1.79 0.42 -0.54 0.00 0.00 175.26 175.64 1ri9 s ILE 23 N 0.41 3.48 -0.24 -3.70 1.01 -1.26 -4.92 121.20 115.99 1ri9 s ILE 23 Ca 0.15 0.47 -0.08 0.00 0.00 0.00 0.00 60.65 61.20 1ri9 s ILE 23 Cb -0.14 -3.71 0.11 0.00 0.01 0.00 0.00 42.46 38.72 1ri9 s ILE 23 CO -0.06 -0.49 0.50 -0.60 0.00 0.00 0.00 174.94 174.28 1ri9 s ARG 24 N 5.82 0.41 -0.57 2.79 3.52 -1.26 -5.10 118.95 124.57 1ri9 s ARG 24 Ca 0.77 1.15 -0.26 0.00 -0.13 0.00 0.00 55.73 57.26 1ri9 s ARG 24 Cb -0.20 0.48 -0.04 0.00 -1.56 0.00 0.00 34.95 33.63 1ri9 s ARG 24 CO 0.32 -0.26 2.03 0.54 -0.81 0.00 0.00 175.30 177.11 1ri9 s VAL 25 N 2.71 3.25 -0.21 7.11 0.11 -1.26 -4.64 120.40 127.47 1ri9 s VAL 25 Ca -0.02 0.15 -0.20 0.00 -2.93 0.00 0.00 61.98 58.98 1ri9 s VAL 25 Cb -0.12 -3.65 -0.19 0.00 -1.53 0.00 0.00 36.38 30.88 1ri9 s VAL 25 CO -0.15 -0.62 0.20 -0.11 -3.33 0.00 0.00 175.10 171.08 1ri9 n LEU 26 N 13.64 1.93 -3.78 2.54 0.00 -1.21 -4.74 117.00 125.38 1ri9 n LEU 26 Ca 0.25 0.40 -0.29 0.00 0.00 0.00 0.00 56.01 56.37 1ri9 n LEU 26 Cb 0.53 -0.97 -0.13 0.00 0.00 0.00 0.00 43.42 42.85 1ri9 n LEU 26 CO 0.71 0.34 -0.21 -0.72 0.00 0.00 0.00 177.39 177.51 1ri9 s TYR 27 N -2.39 2.42 -0.34 1.96 1.13 -1.25 -5.07 117.35 113.81 1ri9 s TYR 27 Ca -0.29 -2.72 -0.29 0.00 -1.41 0.00 0.00 57.07 52.37 1ri9 s TYR 27 Cb 0.06 -2.17 -0.01 0.00 -1.10 0.00 0.00 41.96 38.75 1ri9 s TYR 27 CO 0.60 -0.75 1.55 -1.54 -2.51 0.00 0.00 175.55 172.90 1ri9 s SER 28 N -0.03 6.25 0.42 -0.18 1.04 -1.26 -4.05 113.70 115.89 1ri9 s SER 28 Ca 0.19 1.15 -0.02 0.00 0.48 0.00 0.00 55.95 57.75 1ri9 s SER 28 Cb -0.21 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.35 1ri9 s SER 28 CO -0.03 -1.44 0.67 0.28 0.98 0.00 0.00 173.24 173.69 1ri9 s THR 29 N 5.70 4.71 -0.13 2.02 -1.32 -1.24 -4.78 115.64 120.59 1ri9 s THR 29 Ca 0.68 -0.25 -0.07 0.00 -1.21 0.00 0.00 61.69 60.83 1ri9 s THR 29 Cb -0.19 -3.75 -0.04 0.00 -1.51 0.00 0.00 72.50 67.01 1ri9 s THR 29 CO 0.31 -0.59 0.14 -0.54 -2.21 0.00 0.00 174.62 171.73 1ri9 s LYS 30 N -4.53 3.54 -0.04 7.08 3.01 -1.26 -3.43 119.74 124.11 1ri9 s LYS 30 Ca 0.45 -0.14 -0.30 0.00 -1.01 0.00 0.00 55.97 54.96 1ri9 s LYS 30 Cb -0.10 -3.22 -0.05 0.00 -1.01 0.00 0.00 37.83 33.46 1ri9 s LYS 30 CO 0.40 0.72 1.38 0.08 0.51 0.00 0.00 175.35 178.43 1ri9 s VAL 31 N -0.84 3.85 0.12 3.17 1.01 0.62 -3.89 120.40 124.43 1ri9 s VAL 31 Ca 0.14 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 1ri9 s VAL 31 Cb -0.12 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 1ri9 s VAL 31 CO 0.03 -0.03 1.02 -0.89 0.00 0.00 0.00 175.10 175.24 1ri9 s THR 32 N 2.71 4.29 0.47 3.92 2.01 -1.26 -2.02 115.64 125.75 1ri9 s THR 32 Ca 0.63 1.89 0.08 0.00 0.31 0.00 0.00 61.69 64.59 1ri9 s THR 32 Cb -0.29 -4.20 0.08 0.00 0.01 0.00 0.00 72.50 68.09 1ri9 s THR 32 CO 0.25 0.28 1.16 0.00 -0.69 0.00 0.00 174.62 175.62 1ri9 h THR 33 N 4.01 0.00 -0.46 -0.82 1.03 -1.91 4.63 112.91 119.39 1ri9 h THR 33 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 1ri9 h THR 33 Cb 1.21 0.18 0.00 0.00 -1.07 0.00 0.00 68.15 68.47 1ri9 h THR 33 CO 0.73 0.00 0.00 -0.24 -0.01 0.00 0.00 175.52 176.00 1ri9 n SER 34 N -2.31 3.29 -4.30 0.00 2.88 -1.26 -4.57 113.62 107.35 1ri9 n SER 34 Ca -0.01 -2.25 -0.29 0.00 -1.33 0.00 0.00 58.87 54.99 1ri9 n SER 34 Cb 0.70 -0.45 0.20 0.00 -0.75 0.00 0.00 64.21 63.91 1ri9 n SER 34 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1ri9 s ILE 35 N -1.68 1.83 -0.12 2.46 -1.16 1.52 -4.69 121.20 119.36 1ri9 s ILE 35 Ca 0.35 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 60.19 1ri9 s ILE 35 Cb 0.22 -2.53 -0.04 0.00 0.61 0.00 0.00 42.46 40.72 1ri9 s ILE 35 CO 0.18 0.00 1.52 0.28 -2.81 0.00 0.00 174.94 174.11 1ri9 s THR 36 N -3.05 3.83 -0.01 4.00 -1.32 -1.26 -4.61 115.64 113.23 1ri9 s THR 36 Ca 0.68 1.00 0.02 0.00 -1.21 0.00 0.00 61.69 62.17 1ri9 s THR 36 Cb -0.14 -3.68 -0.02 0.00 -1.51 0.00 0.00 72.50 67.15 1ri9 s THR 36 CO 0.56 -0.13 0.02 -1.54 -2.21 0.00 0.00 174.62 171.32 1ri9 n SER 37 N 7.17 4.57 -0.11 8.08 3.41 -1.26 -4.39 113.62 131.10 1ri9 n SER 37 Ca 0.16 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.57 1ri9 n SER 37 Cb 0.44 0.71 -0.08 0.00 -0.26 0.00 0.00 64.21 65.02 1ri9 n SER 37 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1ri9 n LYS 38 N -1.91 0.47 -2.07 4.33 2.85 -1.26 -4.94 118.16 115.63 1ri9 n LYS 38 Ca -0.02 0.18 -0.42 0.00 -1.05 0.00 0.00 58.31 57.00 1ri9 n LYS 38 Cb 0.40 -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 -2.39 4.23 -0.09 -1.58 2.36 -1.26 -4.98 119.74 116.02 1ri9 s LYS 39 Ca -0.29 2.15 -0.04 0.00 -2.55 0.00 0.00 55.97 55.24 1ri9 s LYS 39 Cb 0.10 -3.63 0.05 0.00 -1.05 0.00 0.00 37.83 33.30 1ri9 s LYS 39 CO 0.40 -0.68 0.19 -1.58 1.55 0.00 0.00 175.35 175.23 1ri9 s TRP 40 N 2.69 -0.24 0.27 4.03 0.23 -1.26 -4.86 118.94 119.80 1ri9 s TRP 40 Ca 0.69 0.66 0.11 0.00 -2.03 0.00 0.00 56.10 55.53 1ri9 s TRP 40 Cb -0.35 -0.11 -0.05 0.00 0.03 0.00 0.00 33.47 32.99 1ri9 s TRP 40 CO 0.29 -0.24 -0.09 0.20 0.96 0.00 0.00 176.95 178.07 1ri9 s GLY 41 N 1.75 1.77 0.37 0.98 0.00 -1.26 -4.98 107.32 105.94 1ri9 s GLY 41 Ca -0.04 -1.76 0.08 0.00 0.00 0.00 0.00 44.72 43.00 1ri9 s GLY 41 CO -0.07 -1.83 1.94 0.00 0.00 0.00 0.00 173.10 173.13 1ri9 h THR 42 N 2.05 0.96 -0.41 0.90 1.03 -2.01 0.32 112.91 115.75 1ri9 h THR 42 Ca -0.42 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 1ri9 h THR 42 Cb 1.25 0.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.53 1ri9 h THR 42 CO 0.60 0.13 0.00 0.54 -0.01 0.00 0.00 175.52 176.78 1ri9 n ARG 43 N -4.50 2.26 -3.96 0.00 1.74 -1.26 -4.91 116.66 106.04 1ri9 n ARG 43 Ca 0.12 -1.93 -0.21 0.00 -0.77 0.00 0.00 57.85 55.06 1ri9 n ARG 43 Cb 0.31 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.31 5.62 0.14 0.55 -1.08 0.11 -2.11 116.67 118.59 1ri9 s ASP 44 Ca 0.37 -0.26 -0.02 0.00 -0.52 0.00 0.00 52.55 52.12 1ri9 s ASP 44 Cb 0.20 -1.34 -0.05 0.00 -1.46 0.00 0.00 42.92 40.28 1ri9 s ASP 44 CO 0.28 -0.16 0.33 -0.22 0.52 0.00 0.00 175.17 175.92 1ri9 s LEU 45 N -3.93 4.28 -0.19 -1.34 2.96 -1.19 -4.57 118.68 114.70 1ri9 s LEU 45 Ca 0.36 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 1ri9 s LEU 45 Cb -0.08 -3.16 0.26 0.00 0.50 0.00 0.00 46.19 43.71 1ri9 s LEU 45 CO 0.26 0.06 1.42 1.67 -1.32 0.00 0.00 176.35 178.44 1ri9 n GLN 46 N -0.09 1.52 -0.94 1.98 7.27 -1.26 -4.83 117.38 121.03 1ri9 n GLN 46 Ca -0.04 -1.22 -0.31 0.00 0.07 0.00 0.00 57.00 55.50 1ri9 n GLN 46 Cb 0.52 -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 -1.38 2.60 0.18 1.69 -7.23 -1.26 -5.04 120.40 109.96 1ri9 s VAL 47 Ca 0.23 0.19 0.08 0.00 -1.81 0.00 0.00 61.98 60.68 1ri9 s VAL 47 Cb 0.19 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1ri9 s VAL 47 CO 0.04 -0.25 -0.04 -1.59 -0.31 0.00 0.00 175.10 172.94 1ri9 s LYS 48 N -4.76 2.24 0.06 4.82 0.00 -1.26 -4.66 119.74 116.18 1ri9 s LYS 48 Ca 0.64 -1.21 -0.30 0.00 0.00 0.00 0.00 55.97 55.10 1ri9 s LYS 48 Cb -0.20 -2.25 -0.05 0.00 0.00 0.00 0.00 37.83 35.32 1ri9 s LYS 48 CO 0.57 0.44 1.16 -1.25 0.00 0.00 0.00 175.35 176.27 1ri9 s PRO 49 N -2.95 4.46 0.00 1.78 0.04 -1.26 -3.04 135.00 134.03 1ri9 s PRO 49 Ca 0.27 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1ri9 s PRO 49 Cb -0.09 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1ri9 s PRO 49 CO 0.17 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1ri9 n GLY 50 N 3.08 0.98 3.94 0.56 0.00 -0.86 -4.57 105.19 108.32 1ri9 n GLY 50 Ca 0.08 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.92 2.55 -0.08 1.61 8.01 -1.15 -4.88 118.70 123.83 1ri9 s GLU 51 Ca 0.00 -1.53 0.03 0.00 0.01 0.00 0.00 54.97 53.48 1ri9 s GLU 51 Cb 0.00 -2.49 0.01 0.00 -4.31 0.00 0.00 34.13 27.34 1ri9 s GLU 51 CO 0.00 -0.36 -0.17 -1.54 0.01 0.00 0.00 175.26 173.20 1ri9 s SER 52 N -4.29 2.34 0.11 -0.19 1.04 -1.26 0.23 113.70 111.69 1ri9 s SER 52 Ca 0.50 -0.41 -0.01 0.00 0.48 0.00 0.00 55.95 56.51 1ri9 s SER 52 Cb -0.05 -1.08 -0.04 0.00 0.10 0.00 0.00 66.02 64.95 1ri9 s SER 52 CO 0.30 0.08 0.03 -0.22 0.98 0.00 0.00 173.24 174.41 1ri9 s LEU 53 N 0.59 1.95 0.09 2.42 2.96 -1.22 -4.93 118.68 120.53 1ri9 s LEU 53 Ca -0.15 -1.16 -0.30 0.00 -0.22 0.00 0.00 54.13 52.30 1ri9 s LEU 53 Cb -0.16 0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.73 1ri9 s LEU 53 CO 0.05 -0.69 1.05 -1.61 -1.32 0.00 0.00 176.35 173.83 1ri9 s GLU 54 N -4.01 4.58 -0.19 1.98 8.01 -1.21 -3.62 118.70 124.23 1ri9 s GLU 54 Ca 0.20 1.57 -0.08 0.00 0.01 0.00 0.00 54.97 56.67 1ri9 s GLU 54 Cb 0.08 -3.37 -0.04 0.00 -4.31 0.00 0.00 34.13 26.48 1ri9 s GLU 54 CO -0.01 0.01 0.09 0.08 0.01 0.00 0.00 175.26 175.45 1ri9 s VAL 55 N 0.42 5.03 0.00 2.63 1.01 -1.26 -0.23 120.40 128.01 1ri9 s VAL 55 Ca 0.51 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1ri9 s VAL 55 Cb -0.25 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1ri9 s VAL 55 CO 0.30 0.45 0.00 -0.38 0.00 0.00 0.00 175.10 175.47 1ri9 n ILE 56 N 3.59 0.00 -3.51 2.22 5.41 0.30 -3.31 119.36 124.06 1ri9 n ILE 56 Ca -0.16 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.33 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 -1.58 0.00 0.00 0.00 176.55 174.97 1ri9 s GLN 57 N 2.87 3.53 -0.01 0.38 0.74 -1.26 -4.67 119.66 121.24 1ri9 s GLN 57 Ca 0.00 -0.27 -0.30 0.00 0.05 0.00 0.00 55.36 54.84 1ri9 s GLN 57 Cb 0.00 -2.73 -0.06 0.00 1.10 0.00 0.00 33.01 31.31 1ri9 s GLN 57 CO 0.00 0.27 1.57 0.95 -0.55 0.00 0.00 175.29 177.53 1ri9 s THR 58 N -2.08 3.48 0.00 -0.34 -4.23 -1.25 -3.37 115.64 107.85 1ri9 s THR 58 Ca 0.40 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.68 1ri9 s THR 58 Cb -0.10 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1ri9 s THR 58 CO 0.32 -0.03 0.80 0.41 -0.54 0.00 0.00 174.62 175.57 1ri9 n THR 59 N 5.04 0.00 0.00 3.99 -1.04 0.94 -4.80 114.28 118.41 1ri9 n THR 59 Ca 0.16 1.30 0.00 0.00 -2.04 0.00 0.00 64.05 63.46 1ri9 n THR 59 Cb 0.42 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 1ri9 n THR 59 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ri9 n ASP 60 N -1.60 0.00 0.02 8.00 2.03 -1.26 -5.02 116.55 118.72 1ri9 n ASP 60 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1ri9 n ASP 60 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1ri9 n ASP 60 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ri9 n ASP 61 N 0.00 0.87 -3.46 1.67 8.00 -1.26 -4.88 116.55 117.48 1ri9 n ASP 61 Ca 0.00 0.12 -0.29 0.00 0.71 0.00 0.00 54.79 55.33 1ri9 n ASP 61 Cb 0.00 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 40.75 1ri9 n ASP 61 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ri9 n THR 62 N -3.44 2.78 -3.66 -3.53 -1.04 -1.26 -5.00 114.28 99.14 1ri9 n THR 62 Ca -0.03 -5.34 -0.09 0.00 -2.04 0.00 0.00 64.05 56.56 1ri9 n THR 62 Cb 0.21 -2.06 -0.08 0.00 -1.82 0.00 0.00 70.33 66.58 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 -2.59 0.62 -0.11 -2.82 2.20 -1.26 -2.62 119.74 113.16 1ri9 s LYS 63 Ca 0.39 1.06 0.03 0.00 -0.36 0.00 0.00 55.97 57.10 1ri9 s LYS 63 Cb 0.15 0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 1ri9 s LYS 63 CO -0.00 -0.15 -0.20 0.14 -0.36 0.00 0.00 175.35 174.78 1ri9 s VAL 64 N 1.43 1.83 -0.20 4.02 -7.23 -1.07 -0.04 120.40 119.14 1ri9 s VAL 64 Ca -0.09 -0.86 -0.21 0.00 -1.81 0.00 0.00 61.98 59.01 1ri9 s VAL 64 Cb -0.06 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1ri9 s VAL 64 CO -0.16 0.51 0.63 -0.22 -0.31 0.00 0.00 175.10 175.55 1ri9 s LEU 65 N 0.67 4.15 0.41 1.32 2.96 -1.22 -2.56 118.68 124.42 1ri9 s LEU 65 Ca -0.12 0.83 -0.05 0.00 -0.22 0.00 0.00 54.13 54.58 1ri9 s LEU 65 Cb -0.16 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 1ri9 s LEU 65 CO 0.03 -0.27 0.70 0.00 -1.32 0.00 0.00 176.35 175.49 1ri9 s ARG 67 N -4.32 0.66 -0.09 0.00 3.52 0.68 -1.82 118.95 117.58 1ri9 s ARG 67 Ca 0.46 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1ri9 s ARG 67 Cb -0.10 -0.58 -0.03 0.00 -1.56 0.00 0.00 34.95 32.68 1ri9 s ARG 67 CO 0.38 0.14 -0.08 -0.80 -0.81 0.00 0.00 175.30 174.13 1ri9 s ASN 68 N -0.99 4.48 0.58 -2.12 -0.87 0.16 -3.34 114.94 112.84 1ri9 s ASN 68 Ca -0.02 -0.12 0.29 0.00 -1.57 0.00 0.00 52.86 51.44 1ri9 s ASN 68 Cb -0.07 -1.31 1.59 0.00 -0.02 0.00 0.00 41.25 41.43 1ri9 s ASN 68 CO 0.01 0.29 1.88 -0.33 -2.57 0.00 0.00 177.10 176.37 1ri9 h GLU 69 N 5.79 0.00 0.00 -0.60 4.39 -2.01 0.99 114.58 123.13 1ri9 h GLU 69 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1ri9 h GLU 69 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1ri9 h GLU 69 CO 0.55 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 176.49 1ri9 n GLU 70 N -2.73 0.49 -0.69 2.33 4.07 -1.26 -4.84 120.64 118.01 1ri9 n GLU 70 Ca -0.02 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1ri9 n GLU 70 Cb 0.29 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 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 0.87 0.68 3.49 8.31 0.00 0.34 -4.44 105.19 114.44 1ri9 n GLY 71 Ca 0.14 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.43 3.72 0.16 1.61 2.20 -1.11 -3.75 119.74 121.14 1ri9 s LYS 72 Ca 0.00 -0.46 0.05 0.00 -0.36 0.00 0.00 55.97 55.20 1ri9 s LYS 72 Cb 0.00 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1ri9 s LYS 72 CO 0.00 -0.01 0.11 0.71 -0.36 0.00 0.00 175.35 175.79 1ri9 s TYR 73 N 1.13 3.09 0.15 4.03 1.51 -1.26 0.39 117.35 126.39 1ri9 s TYR 73 Ca 0.04 -0.03 -0.20 0.00 -1.01 0.00 0.00 57.07 55.87 1ri9 s TYR 73 Cb -0.14 -1.49 0.05 0.00 -0.11 0.00 0.00 41.96 40.27 1ri9 s TYR 73 CO 0.03 0.52 0.51 0.20 -1.11 0.00 0.00 175.55 175.70 1ri9 s GLY 74 N -3.04 -0.43 0.15 0.71 0.00 -0.76 -4.90 107.32 99.05 1ri9 s GLY 74 Ca 0.30 0.21 0.03 0.00 0.00 0.00 0.00 44.72 45.26 1ri9 s GLY 74 CO 0.22 -0.07 0.20 -0.19 0.00 0.00 0.00 173.10 173.27 1ri9 s TYR 75 N -3.78 3.33 -0.06 1.90 2.02 -0.90 -0.72 117.35 119.13 1ri9 s TYR 75 Ca 0.03 0.06 -0.03 0.00 -0.37 0.00 0.00 57.07 56.76 1ri9 s TYR 75 Cb 0.00 -1.60 0.04 0.00 -0.40 0.00 0.00 41.96 40.00 1ri9 s TYR 75 CO -0.12 0.52 0.13 0.08 -1.57 0.00 0.00 175.55 174.60 1ri9 s VAL 76 N -1.71 -0.13 0.32 0.71 1.01 -1.06 -3.19 120.40 116.34 1ri9 s VAL 76 Ca 0.33 0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 1ri9 s VAL 76 Cb -0.11 -0.23 -0.09 0.00 0.00 0.00 0.00 36.38 35.94 1ri9 s VAL 76 CO 0.26 0.11 0.98 -0.22 0.00 0.00 0.00 175.10 176.24 1ri9 s LEU 77 N 1.65 4.39 0.65 3.92 0.20 -1.26 -2.60 118.68 125.63 1ri9 s LEU 77 Ca -0.03 1.95 0.37 0.00 0.69 0.00 0.00 54.13 57.11 1ri9 s LEU 77 Cb -0.12 -3.92 2.04 0.00 -0.43 0.00 0.00 46.19 43.76 1ri9 s LEU 77 CO -0.05 -0.12 2.20 0.08 -0.29 0.00 0.00 176.35 178.17 1ri9 h ARG 78 N 3.31 0.00 -0.03 1.98 0.11 -1.90 -2.53 114.38 115.32 1ri9 h ARG 78 Ca -0.47 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.64 1ri9 h ARG 78 Cb 1.20 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.22 1ri9 h ARG 78 CO 0.65 0.00 -0.51 1.03 0.10 0.00 0.00 179.97 181.24 1ri9 h SER 79 N 0.00 -1.58 -3.56 0.08 0.87 -1.91 -3.29 113.55 104.17 1ri9 h SER 79 Ca 0.02 0.18 -0.65 0.00 -1.23 0.00 0.00 61.79 60.11 1ri9 h SER 79 Cb 0.26 0.61 -0.40 0.00 -0.44 0.00 0.00 62.40 62.43 1ri9 h SER 79 CO -0.00 -0.50 -0.49 -0.72 -0.53 0.00 0.00 176.83 174.59 1ri9 s TYR 80 N -5.78 3.52 0.20 2.24 -0.85 -0.95 -5.03 117.35 110.69 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 0.07 -2.87 0.06 0.00 0.38 0.00 0.00 41.96 39.60 1ri9 s TYR 80 CO 0.62 -0.65 0.93 -1.17 -1.52 0.00 0.00 175.55 173.76 1ri9 s LEU 81 N -1.03 -0.13 0.90 -3.49 2.96 -1.24 -3.99 118.68 112.66 1ri9 s LEU 81 Ca 0.23 -0.57 -0.14 0.00 -0.22 0.00 0.00 54.13 53.42 1ri9 s LEU 81 Cb -0.12 2.29 0.15 0.00 0.50 0.00 0.00 46.19 49.01 1ri9 s LEU 81 CO -0.11 -1.07 1.26 0.00 -1.32 0.00 0.00 176.35 175.11 1ri9 s ALA 82 N -3.02 2.40 -1.68 5.97 0.00 -1.25 -4.75 121.76 119.43 1ri9 s ALA 82 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1ri9 s ALA 82 Cb -0.03 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1ri9 s ALA 82 CO 0.05 -2.11 0.42 -0.25 0.00 0.00 0.00 175.76 173.86