#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqo n PHE 2 N 0.00 -1.52 -0.83 1.47 -1.74 -1.26 -4.48 117.46 109.10 1iqo n PHE 2 Ca 0.00 0.31 0.00 0.00 -0.56 0.00 0.00 57.45 57.20 1iqo n PHE 2 Cb 0.00 -3.05 0.00 0.00 1.52 0.00 0.00 39.48 37.95 1iqo n PHE 2 CO 0.00 0.00 0.00 1.51 -0.56 0.00 0.00 176.76 177.71 1iqo n ILE 3 N -4.72 -3.22 -3.49 1.97 0.00 -1.26 -4.92 119.36 103.73 1iqo n ILE 3 Ca -0.16 1.24 -0.39 0.00 0.00 0.00 0.00 62.75 63.44 1iqo n ILE 3 Cb 0.60 -1.78 -0.10 0.00 0.00 0.00 0.00 39.64 38.36 1iqo n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iqo s ALA 4 N -2.50 3.54 -0.38 1.51 0.00 -1.26 -5.04 121.76 117.64 1iqo s ALA 4 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1iqo s ALA 4 Cb 0.00 -2.61 0.12 0.00 0.00 0.00 0.00 23.12 20.63 1iqo s ALA 4 CO 0.00 -0.64 0.18 0.95 0.00 0.00 0.00 175.76 176.25 1iqo s THR 5 N 1.91 1.09 0.16 0.00 -4.23 -1.26 -4.22 115.64 109.10 1iqo s THR 5 Ca 0.11 -2.02 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 1iqo s THR 5 Cb -0.16 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 1iqo s THR 5 CO 0.11 -0.81 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.45 1iqo s LEU 6 N 0.92 2.74 0.07 4.79 1.43 -1.02 -4.99 118.68 122.63 1iqo s LEU 6 Ca 0.14 -0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1iqo s LEU 6 Cb -0.21 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1iqo s LEU 6 CO -0.09 0.13 0.08 -1.59 0.23 0.00 0.00 176.35 175.11 1iqo s LYS 7 N -2.55 0.74 -0.19 1.70 0.00 -1.26 0.65 119.74 118.83 1iqo s LYS 7 Ca 0.21 -1.11 -0.03 0.00 0.00 0.00 0.00 55.97 55.04 1iqo s LYS 7 Cb -0.09 0.27 0.06 0.00 0.00 0.00 0.00 37.83 38.07 1iqo s LYS 7 CO 0.12 -0.19 0.03 0.20 0.00 0.00 0.00 175.35 175.51 1iqo s GLY 8 N -2.90 0.71 -1.29 0.59 0.00 0.62 -4.99 107.32 100.06 1iqo s GLY 8 Ca 0.07 -0.68 -0.17 0.00 0.00 0.00 0.00 44.72 43.94 1iqo s GLY 8 CO -0.10 1.39 1.69 4.51 0.00 0.00 0.00 173.10 180.59 1iqo n ILE 9 N 5.04 4.00 -2.60 0.90 3.06 -1.26 -2.29 119.36 126.22 1iqo n ILE 9 Ca -0.09 -4.21 -0.38 0.00 -2.50 0.00 0.00 62.75 55.57 1iqo n ILE 9 Cb 0.47 -2.38 -0.05 0.00 0.54 0.00 0.00 39.64 38.23 1iqo n ILE 9 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 1iqo s PHE 10 N 3.66 3.51 0.07 9.51 0.40 -0.49 -5.01 117.98 129.63 1iqo s PHE 10 Ca 0.52 1.71 -0.26 0.00 -0.60 0.00 0.00 56.93 58.30 1iqo s PHE 10 Cb 0.03 -3.10 0.07 0.00 0.51 0.00 0.00 43.02 40.53 1iqo s PHE 10 CO 0.06 -0.31 0.63 -0.08 0.70 0.00 0.00 175.22 176.22 1iqo s THR 11 N -1.49 0.00 0.55 0.64 -1.32 -1.26 -2.52 115.64 110.25 1iqo s THR 11 Ca 0.51 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 1iqo s THR 11 Cb -0.24 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 1iqo s THR 11 CO 0.30 -0.00 0.00 -0.11 -2.21 0.00 0.00 174.62 172.60 1iqo n LEU 12 N 0.15 -1.04 0.26 9.08 7.94 -0.39 -0.52 117.00 132.48 1iqo n LEU 12 Ca -0.18 2.24 0.18 0.00 -1.11 0.00 0.00 56.01 57.14 1iqo n LEU 12 Cb 0.62 -2.93 0.84 0.00 0.53 0.00 0.00 43.42 42.48 1iqo n LEU 12 CO 0.17 -1.66 1.15 0.11 -1.11 0.00 0.00 177.39 176.05 1iqo h LYS 13 N -1.09 0.00 -0.08 1.96 1.79 -1.72 1.00 116.57 118.43 1iqo h LYS 13 Ca -0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1iqo h LYS 13 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1iqo h LYS 13 CO 0.06 0.00 0.00 -3.47 -1.08 0.00 0.00 179.45 174.96 1iqo n ASP 14 N -3.25 0.84 -0.32 0.86 -0.08 -1.26 -4.37 116.55 108.97 1iqo n ASP 14 Ca 0.01 -1.54 0.29 0.00 -1.51 0.00 0.00 54.79 52.03 1iqo n ASP 14 Cb 0.40 -0.05 0.54 0.00 2.34 0.00 0.00 41.12 44.35 1iqo n ASP 14 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 1iqo h LEU 15 N 1.13 0.36 -7.39 -2.67 -0.00 0.37 -3.33 115.31 103.77 1iqo h LEU 15 Ca 0.00 0.24 -0.36 0.00 -0.00 0.00 0.00 57.88 57.75 1iqo h LEU 15 Cb 0.25 0.23 0.09 0.00 -0.00 0.00 0.00 40.66 41.23 1iqo h LEU 15 CO 0.00 -0.34 1.00 -0.81 -0.00 0.00 0.00 178.44 178.29 1iqo n PRO 16 N -5.20 0.01 -0.91 0.17 -0.04 -1.26 -4.59 135.00 123.18 1iqo n PRO 16 Ca 0.36 -0.82 -0.36 0.00 -0.04 0.00 0.00 63.50 62.63 1iqo n PRO 16 Cb 1.18 -2.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 1iqo n PRO 16 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1iqo n GLU 17 N 6.87 1.37 0.00 0.54 -0.00 -1.25 -2.50 120.64 125.68 1iqo n GLU 17 Ca 0.34 -1.58 0.00 0.00 -0.00 0.00 0.00 57.16 55.92 1iqo n GLU 17 Cb 0.39 -2.71 0.00 0.00 -0.00 0.00 0.00 31.44 29.13 1iqo n GLU 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1iqo n GLU 18 N 6.35 0.00 0.00 3.44 -0.58 -1.26 -5.10 120.64 123.49 1iqo n GLU 18 Ca 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 1iqo n GLU 18 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.19 1iqo n GLU 18 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1iqo n PHE 19 N -1.57 0.00 -4.23 -0.32 3.72 -1.04 -5.16 117.46 108.86 1iqo n PHE 19 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 1iqo n PHE 19 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 1iqo n PHE 19 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1iqo s ARG 20 N 0.00 2.09 -0.06 -1.08 0.52 -1.26 -4.88 118.95 114.28 1iqo s ARG 20 Ca 0.00 -1.06 -0.30 0.00 -0.52 0.00 0.00 55.73 53.85 1iqo s ARG 20 Cb 0.00 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 1iqo s ARG 20 CO 0.00 0.50 1.31 -1.25 0.02 0.00 0.00 175.30 175.88 1iqo s PRO 21 N -2.27 4.29 0.04 3.54 0.04 -1.26 -4.76 135.00 134.62 1iqo s PRO 21 Ca 0.21 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 1iqo s PRO 21 Cb -0.11 -3.64 -0.33 0.00 0.04 0.00 0.00 34.50 30.46 1iqo s PRO 21 CO 0.14 -0.57 1.05 0.35 0.04 0.00 0.00 177.00 178.00 1iqo h PHE 22 N 7.89 0.91 0.00 0.56 3.57 -1.98 -3.18 116.94 124.70 1iqo h PHE 22 Ca -0.34 -0.64 0.00 0.00 3.53 0.00 0.00 57.97 60.52 1iqo h PHE 22 Cb 1.15 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1iqo h PHE 22 CO 0.76 1.50 0.00 1.33 -2.23 0.00 0.00 178.31 179.67 1iqo n VAL 23 N -3.70 0.49 -0.31 1.41 0.24 -1.26 -3.44 118.33 111.75 1iqo n VAL 23 Ca -0.15 0.12 0.33 0.00 -2.04 0.00 0.00 64.34 62.60 1iqo n VAL 23 Cb 1.07 -0.76 0.71 0.00 -1.47 0.00 0.00 33.84 33.39 1iqo n VAL 23 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1iqo h ASP 24 N 0.00 0.07 -0.62 -1.34 3.58 -1.96 0.84 116.42 116.99 1iqo h ASP 24 Ca 0.00 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.50 1iqo h ASP 24 Cb 0.31 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 1iqo h ASP 24 CO 0.00 0.01 0.41 0.10 -2.88 0.00 0.00 179.24 176.88 1iqo h TYR 25 N 0.06 0.71 0.00 0.28 -0.00 -1.81 0.12 116.97 116.33 1iqo h TYR 25 Ca 0.56 0.02 -0.05 0.00 -0.00 0.00 0.00 58.73 59.26 1iqo h TYR 25 Cb 2.12 -0.24 -0.01 0.00 -0.00 0.00 0.00 36.73 38.61 1iqo h TYR 25 CO -0.00 0.41 -0.25 -0.22 -0.00 0.00 0.00 178.16 178.11 1iqo h LYS 26 N 0.73 0.00 0.00 0.10 3.64 0.43 0.43 116.57 121.91 1iqo h LYS 26 Ca 0.25 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 1iqo h LYS 26 Cb 0.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1iqo h LYS 26 CO -0.07 0.25 -0.31 0.00 -2.27 0.00 0.00 179.45 177.04 1iqo h ALA 27 N 1.75 1.22 0.00 5.00 0.00 -0.72 -3.15 119.26 123.37 1iqo h ALA 27 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1iqo h ALA 27 Cb 0.47 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1iqo h ALA 27 CO 0.03 0.39 -0.38 0.41 0.00 0.00 0.00 179.25 179.71 1iqo n GLY 28 N -0.28 3.80 0.00 0.00 0.00 -0.68 0.31 105.19 108.34 1iqo n GLY 28 Ca -0.01 -0.98 0.14 0.00 0.00 0.00 0.00 46.02 45.17 1iqo n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iqo n LEU 29 N -0.86 0.00 -2.59 0.99 7.94 0.14 -4.11 117.00 118.51 1iqo n LEU 29 Ca 0.13 0.37 -0.03 0.00 -1.11 0.00 0.00 56.01 55.37 1iqo n LEU 29 Cb 0.73 -0.37 0.11 0.00 0.53 0.00 0.00 43.42 44.42 1iqo n LEU 29 CO -0.01 -0.00 0.57 1.21 -1.11 0.00 0.00 177.39 178.04 1iqo n GLU 30 N -1.37 1.16 -3.64 1.96 0.00 -1.26 -4.99 120.64 112.50 1iqo n GLU 30 Ca 0.11 -1.29 -0.23 0.00 0.00 0.00 0.00 57.16 55.75 1iqo n GLU 30 Cb 0.28 0.23 0.06 0.00 0.00 0.00 0.00 31.44 32.01 1iqo n GLU 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1iqo n LYS 31 N -1.09 -6.72 0.01 5.31 5.02 -1.26 -4.89 118.16 114.54 1iqo n LYS 31 Ca -0.12 0.75 0.11 0.00 -2.02 0.00 0.00 58.31 57.03 1iqo n LYS 31 Cb 0.83 -5.70 -0.00 0.00 -0.02 0.00 0.00 35.03 30.14 1iqo n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1iqo n LYS 32 N -4.64 0.18 -0.61 1.97 4.81 -1.15 -5.05 118.16 113.67 1iqo n LYS 32 Ca -0.10 -0.02 0.08 0.00 -0.87 0.00 0.00 58.31 57.41 1iqo n LYS 32 Cb 0.59 -1.54 -0.02 0.00 0.02 0.00 0.00 35.03 34.08 1iqo n LYS 32 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1iqo n LYS 33 N -1.77 -1.23 -3.64 1.64 5.02 0.15 -4.71 118.16 113.62 1iqo n LYS 33 Ca 0.03 0.81 -0.38 0.00 -2.02 0.00 0.00 58.31 56.74 1iqo n LYS 33 Cb 0.40 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.79 1iqo n LYS 33 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1iqo s LEU 34 N 0.00 4.08 -0.24 -0.35 2.34 -1.26 -4.23 118.68 119.01 1iqo s LEU 34 Ca 0.00 -0.38 -0.11 0.00 0.06 0.00 0.00 54.13 53.70 1iqo s LEU 34 Cb 0.00 -2.03 -0.05 0.00 -0.56 0.00 0.00 46.19 43.55 1iqo s LEU 34 CO 0.00 -0.16 0.16 -0.44 -1.06 0.00 0.00 176.35 174.85 1iqo s SER 35 N 1.66 6.10 0.39 1.48 0.01 -1.26 -4.96 113.70 117.11 1iqo s SER 35 Ca 0.05 0.10 0.28 0.00 1.31 0.00 0.00 55.95 57.69 1iqo s SER 35 Cb -0.17 -2.10 1.23 0.00 0.21 0.00 0.00 66.02 65.19 1iqo s SER 35 CO 0.07 0.05 1.84 -2.24 0.41 0.00 0.00 173.24 173.38 1iqo h ASP 36 N 7.60 0.00 -0.73 2.44 3.04 -1.97 -2.40 116.42 124.40 1iqo h ASP 36 Ca -0.38 0.00 -0.21 0.00 -3.24 0.00 0.00 57.03 53.20 1iqo h ASP 36 Cb 1.17 0.00 -0.13 0.00 -1.04 0.00 0.00 39.33 39.33 1iqo h ASP 36 CO 0.64 0.00 0.27 -0.67 -2.04 0.00 0.00 179.24 177.45 1iqo n ASP 37 N -2.58 4.78 -4.74 4.15 -0.08 -1.26 -3.31 116.55 113.52 1iqo n ASP 37 Ca 0.01 -3.18 -0.31 0.00 -1.51 0.00 0.00 54.79 49.80 1iqo n ASP 37 Cb 0.23 -0.74 0.12 0.00 2.34 0.00 0.00 41.12 43.06 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1iqo s ASP 38 N -0.94 3.95 -0.30 1.67 2.15 -0.90 -4.84 116.67 117.45 1iqo s ASP 38 Ca 0.54 1.88 -0.10 0.00 0.43 0.00 0.00 52.55 55.29 1iqo s ASP 38 Cb 0.43 -2.50 0.13 0.00 -0.30 0.00 0.00 42.92 40.68 1iqo s ASP 38 CO 0.13 -2.40 0.68 -1.61 -0.17 0.00 0.00 175.17 171.81 1iqo s GLU 39 N -4.84 0.55 0.11 4.34 2.02 -1.26 -1.26 118.70 118.36 1iqo s GLU 39 Ca 0.63 1.38 -0.12 0.00 0.02 0.00 0.00 54.97 56.87 1iqo s GLU 39 Cb -0.19 0.83 0.02 0.00 0.10 0.00 0.00 34.13 34.89 1iqo s GLU 39 CO 0.57 -0.20 0.30 0.42 0.02 0.00 0.00 175.26 176.37 1iqo s ILE 40 N 2.86 0.10 -0.05 -1.63 1.01 -1.05 -2.63 121.20 119.81 1iqo s ILE 40 Ca -0.05 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 1iqo s ILE 40 Cb -0.11 -1.28 0.02 0.00 0.01 0.00 0.00 42.46 41.09 1iqo s ILE 40 CO -0.19 -0.46 0.23 0.00 0.00 0.00 0.00 174.94 174.52 1iqo s ALA 41 N -3.84 -0.57 -0.08 9.38 0.00 -0.10 -1.40 121.76 125.17 1iqo s ALA 41 Ca 0.04 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.46 1iqo s ALA 41 Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1iqo s ALA 41 CO -0.11 -0.16 -0.20 0.96 0.00 0.00 0.00 175.76 176.25 1iqo s ILE 42 N -0.51 1.68 -0.23 0.00 -0.00 -0.97 0.66 121.20 121.84 1iqo s ILE 42 Ca -0.06 -0.82 -0.00 0.00 -0.00 0.00 0.00 60.65 59.77 1iqo s ILE 42 Cb -0.04 -1.47 0.03 0.00 -0.00 0.00 0.00 42.46 40.98 1iqo s ILE 42 CO 0.01 0.48 -0.11 -0.63 -0.00 0.00 0.00 174.94 174.69 1iqo s ILE 43 N 0.32 2.57 0.01 8.37 -1.09 -1.15 -0.28 121.20 129.95 1iqo s ILE 43 Ca -0.13 -1.05 -0.13 0.00 -2.23 0.00 0.00 60.65 57.10 1iqo s ILE 43 Cb -0.16 -2.27 -0.06 0.00 -1.58 0.00 0.00 42.46 38.40 1iqo s ILE 43 CO 0.06 0.28 0.39 -0.94 -1.23 0.00 0.00 174.94 173.49 1iqo s SER 44 N 1.29 6.75 -0.12 3.58 1.04 0.21 -2.49 113.70 123.96 1iqo s SER 44 Ca 0.01 0.89 0.14 0.00 0.48 0.00 0.00 55.95 57.47 1iqo s SER 44 Cb -0.16 -2.22 0.30 0.00 0.10 0.00 0.00 66.02 64.04 1iqo s SER 44 CO -0.07 0.30 1.19 2.30 0.98 0.00 0.00 173.24 177.94 1iqo n ILE 45 N 1.66 0.23 -3.92 -1.02 -5.35 -1.26 -2.43 119.36 107.27 1iqo n ILE 45 Ca -0.13 -1.02 -0.30 0.00 -0.27 0.00 0.00 62.75 61.02 1iqo n ILE 45 Cb 0.53 0.89 -0.05 0.00 -1.74 0.00 0.00 39.64 39.27 1iqo n ILE 45 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1iqo n LYS 46 N -0.31 -1.84 -0.63 6.28 2.85 -1.26 -4.73 118.16 118.52 1iqo n LYS 46 Ca -0.10 0.18 -0.09 0.00 -1.05 0.00 0.00 58.31 57.25 1iqo n LYS 46 Cb 0.88 -4.78 -0.10 0.00 -0.65 0.00 0.00 35.03 30.39 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1iqo n GLY 47 N -0.99 2.33 2.93 2.58 0.00 -1.26 -4.60 105.19 106.18 1iqo n GLY 47 Ca 0.07 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 1iqo n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iqo n THR 48 N 2.84 -0.06 0.00 2.61 -2.24 -1.26 -4.48 114.28 111.70 1iqo n THR 48 Ca 0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1iqo n THR 48 Cb 0.52 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1iqo n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqo n GLN 49 N -2.86 0.00 0.00 -0.78 1.13 -1.26 -5.12 117.38 108.49 1iqo n GLN 49 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1iqo n GLN 49 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.85 1iqo n GLN 49 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1iqo n SER 50 N -1.54 0.00 -0.36 1.08 2.88 -1.26 -5.10 113.62 109.31 1iqo n SER 50 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1iqo n SER 50 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1iqo n SER 50 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1iqo n ASN 51 N 0.00 -2.18 -3.72 -3.46 6.94 -1.26 -4.91 115.26 106.67 1iqo n ASN 51 Ca 0.00 0.04 -0.12 0.00 -0.02 0.00 0.00 54.58 54.48 1iqo n ASN 51 Cb 0.00 -0.14 -0.10 0.00 -2.36 0.00 0.00 39.78 37.18 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1iqo s HIS 52 N -0.11 -0.49 0.24 -2.53 -3.43 -1.04 -4.95 115.29 102.98 1iqo s HIS 52 Ca 0.00 1.14 -0.30 0.00 -0.80 0.00 0.00 55.06 55.10 1iqo s HIS 52 Cb 0.00 0.19 -0.09 0.00 -1.43 0.00 0.00 32.58 31.24 1iqo s HIS 52 CO 0.00 -0.25 1.27 0.08 -2.00 0.00 0.00 174.74 173.83 1iqo s VAL 53 N 0.60 3.16 -0.26 -5.38 1.01 -1.26 -2.92 120.40 115.35 1iqo s VAL 53 Ca -0.03 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1iqo s VAL 53 Cb -0.05 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.75 1iqo s VAL 53 CO -0.04 0.19 -0.00 -0.22 0.00 0.00 0.00 175.10 175.03 1iqo s LEU 54 N -0.74 2.61 0.07 3.92 1.98 0.21 -4.99 118.68 121.75 1iqo s LEU 54 Ca 0.53 -1.34 -0.30 0.00 -2.89 0.00 0.00 54.13 50.12 1iqo s LEU 54 Cb -0.36 -1.11 -0.06 0.00 0.66 0.00 0.00 46.19 45.32 1iqo s LEU 54 CO 0.42 -0.29 1.18 0.12 -1.89 0.00 0.00 176.35 175.89 1iqo s PHE 55 N 1.43 3.46 -0.31 5.38 5.36 -1.26 -0.92 117.98 131.11 1iqo s PHE 55 Ca -0.00 1.35 -0.06 0.00 -0.96 0.00 0.00 56.93 57.25 1iqo s PHE 55 Cb -0.18 -3.40 0.02 0.00 -0.34 0.00 0.00 43.02 39.12 1iqo s PHE 55 CO -0.10 -1.17 0.08 -0.51 -1.46 0.00 0.00 175.22 172.07 1iqo s LEU 56 N 0.90 3.99 -0.01 6.12 1.43 -1.08 -4.95 118.68 125.08 1iqo s LEU 56 Ca 0.57 -0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1iqo s LEU 56 Cb -0.29 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1iqo s LEU 56 CO 0.30 -0.24 0.33 -1.28 0.23 0.00 0.00 176.35 175.69 1iqo h SER 57 N 8.22 -0.07 -2.65 2.29 0.87 -1.95 -3.42 113.55 116.83 1iqo h SER 57 Ca -0.29 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.75 1iqo h SER 57 Cb 1.11 0.02 -0.14 0.00 -0.44 0.00 0.00 62.40 62.95 1iqo h SER 57 CO 0.60 0.02 -0.65 -0.44 -0.53 0.00 0.00 176.83 175.84 1iqo s SER 58 N -3.21 2.99 -0.38 6.23 0.01 -1.26 -5.02 113.70 113.07 1iqo s SER 58 Ca -0.01 -1.26 -0.01 0.00 1.31 0.00 0.00 55.95 55.98 1iqo s SER 58 Cb 0.00 -0.21 0.19 0.00 0.21 0.00 0.00 66.02 66.21 1iqo s SER 58 CO 0.04 -0.40 0.85 -0.47 0.41 0.00 0.00 173.24 173.67 1iqo s TYR 59 N -2.97 -1.03 -0.33 2.43 5.04 -1.26 -5.02 117.35 114.22 1iqo s TYR 59 Ca 0.32 0.07 0.09 0.00 -2.44 0.00 0.00 57.07 55.11 1iqo s TYR 59 Cb 0.06 0.19 0.60 0.00 0.35 0.00 0.00 41.96 43.16 1iqo s TYR 59 CO 0.14 -0.72 1.64 0.09 -1.34 0.00 0.00 175.55 175.37 1iqo n ASN 60 N 3.83 3.42 -3.68 4.32 5.03 -1.26 -4.93 115.26 121.99 1iqo n ASN 60 Ca 0.09 -3.54 -0.24 0.00 0.87 0.00 0.00 54.58 51.76 1iqo n ASN 60 Cb 0.60 -0.70 0.06 0.00 -1.02 0.00 0.00 39.78 38.72 1iqo n ASN 60 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1iqo n SER 61 N -0.88 -4.39 -1.17 6.41 7.64 -1.26 -4.87 113.62 115.10 1iqo n SER 61 Ca 0.40 -0.67 0.01 0.00 1.01 0.00 0.00 58.87 59.62 1iqo n SER 61 Cb 1.25 -4.56 0.15 0.00 -1.01 0.00 0.00 64.21 60.05 1iqo n SER 61 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1iqo n VAL 62 N -4.66 1.30 0.00 0.44 0.24 -1.26 -4.92 118.33 109.47 1iqo n VAL 62 Ca -0.08 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 1iqo n VAL 62 Cb 0.59 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 1iqo n VAL 62 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1iqo n ASP 63 N 0.18 0.00 -0.35 -1.34 2.03 -1.26 -4.33 116.55 111.48 1iqo n ASP 63 Ca 0.14 0.00 0.29 0.00 0.52 0.00 0.00 54.79 55.74 1iqo n ASP 63 Cb 0.71 0.00 0.60 0.00 -0.72 0.00 0.00 41.12 41.71 1iqo n ASP 63 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1iqo h GLU 64 N 0.00 0.22 0.00 -0.67 5.08 -2.00 1.05 114.58 118.26 1iqo h GLU 64 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1iqo h GLU 64 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1iqo h GLU 64 CO 0.00 0.15 -0.21 -0.84 -1.00 0.00 0.00 179.01 177.10 1iqo h ILE 65 N 0.23 0.55 0.00 3.13 -2.65 -1.96 -2.45 117.51 114.36 1iqo h ILE 65 Ca 0.64 -1.05 0.00 0.00 1.03 0.00 0.00 64.86 65.48 1iqo h ILE 65 Cb 1.94 1.71 0.00 0.00 -2.05 0.00 0.00 36.82 38.43 1iqo h ILE 65 CO -0.24 0.21 0.00 -1.14 0.03 0.00 0.00 178.15 177.01 1iqo n ARG 66 N -3.42 0.00 -0.15 0.16 0.63 0.36 -2.92 116.66 111.33 1iqo n ARG 66 Ca -0.00 0.47 0.24 0.00 -0.92 0.00 0.00 57.85 57.65 1iqo n ARG 66 Cb 0.41 -1.02 0.67 0.00 0.45 0.00 0.00 32.46 32.96 1iqo n ARG 66 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1iqo h LYS 67 N 0.00 0.08 0.13 -0.14 2.10 -1.62 0.12 116.57 117.25 1iqo h LYS 67 Ca 0.00 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1iqo h LYS 67 Cb 0.00 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1iqo h LYS 67 CO 0.00 0.05 -0.06 1.49 -2.00 0.00 0.00 179.45 178.93 1iqo h GLU 68 N 0.08 -0.17 -0.17 0.07 4.57 -1.58 -1.26 114.58 116.14 1iqo h GLU 68 Ca 0.39 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.51 1iqo h GLU 68 Cb 1.41 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.04 1iqo h GLU 68 CO -0.04 0.11 -0.17 1.25 -1.18 0.00 0.00 179.01 178.98 1iqo h LEU 69 N -0.44 0.45 -0.47 1.64 5.85 -1.14 0.40 115.31 121.60 1iqo h LEU 69 Ca -0.02 -0.48 0.07 0.00 0.84 0.00 0.00 57.88 58.29 1iqo h LEU 69 Cb 0.35 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1iqo h LEU 69 CO 0.03 0.84 0.14 -0.33 -0.34 0.00 0.00 178.44 178.78 1iqo h GLU 70 N 0.07 0.29 0.07 1.25 4.39 -0.85 -1.85 114.58 117.95 1iqo h GLU 70 Ca 0.03 -0.02 -0.25 0.00 0.34 0.00 0.00 59.36 59.46 1iqo h GLU 70 Cb 0.71 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1iqo h GLU 70 CO 0.04 0.19 -1.09 0.93 -1.16 0.00 0.00 179.01 177.93 1iqo h GLU 71 N 0.30 0.30 -0.13 2.33 5.08 -1.24 -3.07 114.58 118.16 1iqo h GLU 71 Ca 0.23 -0.42 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1iqo h GLU 71 Cb 0.26 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1iqo h GLU 71 CO -0.26 1.14 0.18 0.00 -1.00 0.00 0.00 179.01 179.07 1iqo h ALA 72 N 0.69 1.65 0.08 3.43 0.00 0.39 0.49 119.26 126.00 1iqo h ALA 72 Ca -0.10 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.48 1iqo h ALA 72 Cb 1.77 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1iqo h ALA 72 CO 0.18 -0.24 -1.77 0.41 0.00 0.00 0.00 179.25 177.82 1iqo n GLY 73 N -1.34 -0.65 2.01 0.00 0.00 -0.75 -4.30 105.19 100.17 1iqo n GLY 73 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1iqo n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqo n ALA 74 N -3.16 5.47 -1.38 4.61 0.00 -0.93 -4.90 120.51 120.22 1iqo n ALA 74 Ca -0.33 -3.13 -0.32 0.00 0.00 0.00 0.00 53.44 49.67 1iqo n ALA 74 Cb 0.93 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 19.14 1iqo n ALA 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1iqo s LYS 75 N -3.42 2.52 -0.28 0.00 2.47 0.17 -4.95 119.74 116.25 1iqo s LYS 75 Ca 0.56 1.24 -0.11 0.00 -1.56 0.00 0.00 55.97 56.10 1iqo s LYS 75 Cb 0.47 -1.93 -0.05 0.00 -1.46 0.00 0.00 37.83 34.86 1iqo s LYS 75 CO 0.06 -1.45 0.19 0.96 0.16 0.00 0.00 175.35 175.27 1iqo s ILE 76 N -2.69 5.28 0.16 5.43 -0.00 -1.26 -4.86 121.20 123.27 1iqo s ILE 76 Ca 0.63 0.16 0.00 0.00 -0.00 0.00 0.00 60.65 61.44 1iqo s ILE 76 Cb -0.18 -3.52 0.00 0.00 -0.00 0.00 0.00 42.46 38.76 1iqo s ILE 76 CO 0.50 0.25 0.00 0.59 -0.00 0.00 0.00 174.94 176.28 1iqo n ASN 77 N 5.06 -8.32 -4.83 4.36 4.13 -1.26 -5.02 115.26 109.38 1iqo n ASN 77 Ca -0.14 1.30 -0.24 0.00 1.68 0.00 0.00 54.58 57.18 1iqo n ASN 77 Cb 0.52 -4.67 0.08 0.00 -1.54 0.00 0.00 39.78 34.17 1iqo n ASN 77 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1iqo s HIS 78 N -0.47 2.49 0.00 3.10 3.76 -1.26 -5.12 115.29 117.78 1iqo s HIS 78 Ca 0.00 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 1iqo s HIS 78 Cb 0.00 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.62 1iqo s HIS 78 CO 0.00 -1.39 0.00 -2.37 -0.85 0.00 0.00 174.74 170.13 1iqo n THR 79 N -2.77 0.00 -1.26 1.30 5.66 -1.26 -5.00 114.28 110.95 1iqo n THR 79 Ca 0.10 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.86 1iqo n THR 79 Cb 0.60 -0.57 -0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1iqo n THR 79 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1iqo n THR 80 N -0.07 3.15 -1.77 1.09 5.66 -1.26 -4.76 114.28 116.32 1iqo n THR 80 Ca 0.00 -2.52 -0.17 0.00 -3.05 0.00 0.00 64.05 58.32 1iqo n THR 80 Cb 0.00 -1.43 -0.05 0.00 -1.55 0.00 0.00 70.33 67.29 1iqo n THR 80 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1iqo n LEU 81 N 0.43 -1.31 -0.07 1.09 0.00 -1.26 -4.84 117.00 111.04 1iqo n LEU 81 Ca 0.43 0.31 -0.14 0.00 0.00 0.00 0.00 56.01 56.61 1iqo n LEU 81 Cb 0.56 -2.42 -0.13 0.00 0.00 0.00 0.00 43.42 41.42 1iqo n LEU 81 CO 0.40 -0.65 0.37 0.50 0.00 0.00 0.00 177.39 178.01 1iqo h LYS 82 N 0.00 0.01 -0.39 1.96 1.63 -1.99 -3.00 116.57 114.78 1iqo h LYS 82 Ca -0.36 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.51 1iqo h LYS 82 Cb 1.14 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.76 1iqo h LYS 82 CO 0.49 1.01 0.27 -0.84 -3.45 0.00 0.00 179.45 176.93 1iqo h ILE 83 N -0.97 0.88 -0.23 2.00 -0.00 -1.96 0.16 117.51 117.38 1iqo h ILE 83 Ca -0.01 -0.05 -0.12 0.00 -0.00 0.00 0.00 64.86 64.68 1iqo h ILE 83 Cb 1.03 0.71 -0.00 0.00 -0.00 0.00 0.00 36.82 38.56 1iqo h ILE 83 CO 0.01 0.03 -0.34 -0.07 -0.00 0.00 0.00 178.15 177.77 1iqo h LEU 84 N 0.15 0.69 -1.13 0.16 4.07 -1.91 0.89 115.31 118.23 1iqo h LEU 84 Ca 0.18 -0.52 -0.06 0.00 0.08 0.00 0.00 57.88 57.57 1iqo h LEU 84 Cb 0.53 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1iqo h LEU 84 CO -0.03 1.07 -0.26 -0.33 -1.08 0.00 0.00 178.44 177.82 1iqo h GLU 85 N 0.33 0.00 0.00 1.13 4.39 -1.03 0.20 114.58 119.59 1iqo h GLU 85 Ca 0.02 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1iqo h GLU 85 Cb 0.93 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1iqo h GLU 85 CO 0.08 0.26 -1.73 0.41 -1.16 0.00 0.00 179.01 176.87 1iqo n GLY 86 N 0.10 -1.14 0.42 -3.84 0.00 0.43 -4.29 105.19 96.88 1iqo n GLY 86 Ca -0.00 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.73 1iqo n GLY 86 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1iqo n HIS 87 N -2.50 0.38 -1.87 1.61 -0.00 0.31 -5.05 115.22 108.10 1iqo n HIS 87 Ca -0.07 -0.98 0.00 0.00 0.46 0.00 0.00 57.72 57.13 1iqo n HIS 87 Cb 0.67 -0.22 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69