#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqo s PHE 2 N 0.00 -0.00 -0.14 1.96 -0.12 -1.26 -5.16 117.98 113.27 1iqo s PHE 2 Ca 0.00 -0.01 -0.04 0.00 -0.05 0.00 0.00 56.93 56.84 1iqo s PHE 2 Cb 0.00 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 1iqo s PHE 2 CO 0.00 -0.02 -0.01 0.42 -0.05 0.00 0.00 175.22 175.56 1iqo s ILE 3 N -2.02 4.16 -0.87 -4.49 -1.09 -1.26 -5.01 121.20 110.62 1iqo s ILE 3 Ca 0.21 -0.28 -0.05 0.00 -2.23 0.00 0.00 60.65 58.31 1iqo s ILE 3 Cb 0.05 -2.81 0.07 0.00 -1.58 0.00 0.00 42.46 38.19 1iqo s ILE 3 CO -0.05 0.52 2.65 0.00 -1.23 0.00 0.00 174.94 176.82 1iqo n ALA 4 N 3.09 6.66 -2.12 9.38 0.00 -1.26 -4.94 120.51 131.31 1iqo n ALA 4 Ca -0.18 -3.48 -0.41 0.00 0.00 0.00 0.00 53.44 49.37 1iqo n ALA 4 Cb 0.53 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 1iqo n ALA 4 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1iqo s THR 5 N -1.45 3.54 -0.24 0.00 -4.23 -1.26 -4.72 115.64 107.29 1iqo s THR 5 Ca 0.57 0.48 -0.14 0.00 -1.18 0.00 0.00 61.69 61.42 1iqo s THR 5 Cb 0.28 -3.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 1iqo s THR 5 CO -0.15 -0.75 0.32 -0.76 -0.54 0.00 0.00 174.62 172.74 1iqo s LEU 6 N 7.29 4.10 -0.38 4.79 2.01 -1.11 -4.97 118.68 130.42 1iqo s LEU 6 Ca 0.69 0.32 0.04 0.00 0.01 0.00 0.00 54.13 55.18 1iqo s LEU 6 Cb -0.16 -2.37 0.11 0.00 0.01 0.00 0.00 46.19 43.78 1iqo s LEU 6 CO 0.28 -0.07 0.10 -0.75 1.01 0.00 0.00 176.35 176.91 1iqo s LYS 7 N 1.51 1.60 -0.17 1.70 2.20 -1.26 -1.40 119.74 123.92 1iqo s LYS 7 Ca 0.14 -2.06 0.01 0.00 -0.36 0.00 0.00 55.97 53.71 1iqo s LYS 7 Cb -0.15 -3.23 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1iqo s LYS 7 CO 0.08 -0.98 -0.19 0.20 -0.36 0.00 0.00 175.35 174.10 1iqo s GLY 8 N 0.61 1.41 -0.29 5.54 0.00 -0.81 -5.04 107.32 108.74 1iqo s GLY 8 Ca 0.12 -1.15 -0.11 0.00 0.00 0.00 0.00 44.72 43.59 1iqo s GLY 8 CO -0.06 0.15 0.19 -1.50 0.00 0.00 0.00 173.10 171.88 1iqo s ILE 9 N 1.07 5.17 0.52 0.90 2.07 -1.26 -2.05 121.20 127.62 1iqo s ILE 9 Ca -0.01 0.03 -0.20 0.00 -1.41 0.00 0.00 60.65 59.06 1iqo s ILE 9 Cb -0.14 -3.51 -0.07 0.00 0.13 0.00 0.00 42.46 38.87 1iqo s ILE 9 CO -0.07 0.20 1.10 -0.36 -1.91 0.00 0.00 174.94 173.90 1iqo s PHE 10 N 1.73 2.80 -0.10 3.50 0.40 0.86 -4.92 117.98 122.25 1iqo s PHE 10 Ca 0.07 1.56 0.03 0.00 -0.60 0.00 0.00 56.93 57.98 1iqo s PHE 10 Cb -0.16 -3.22 0.01 0.00 0.51 0.00 0.00 43.02 40.16 1iqo s PHE 10 CO 0.10 -1.30 -0.18 0.95 0.70 0.00 0.00 175.22 175.49 1iqo s THR 11 N -1.83 1.66 0.00 0.64 -4.23 -1.23 -2.84 115.64 107.81 1iqo s THR 11 Ca 0.70 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1iqo s THR 11 Cb -0.22 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.15 1iqo s THR 11 CO 0.25 0.47 0.00 0.18 -0.54 0.00 0.00 174.62 174.98 1iqo n LEU 12 N 3.92 0.00 -0.27 4.79 4.32 -0.35 -2.64 117.00 126.76 1iqo n LEU 12 Ca -0.20 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 55.90 1iqo n LEU 12 Cb 0.52 -0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.26 1iqo n LEU 12 CO 0.26 -0.85 0.14 0.29 -1.22 0.00 0.00 177.39 176.01 1iqo n LYS 13 N -1.13 0.73 -0.02 3.23 4.76 -1.26 -4.32 118.16 120.13 1iqo n LYS 13 Ca 0.00 -0.54 0.07 0.00 -2.87 0.00 0.00 58.31 54.97 1iqo n LYS 13 Cb 0.00 -1.48 -0.16 0.00 -1.84 0.00 0.00 35.03 31.55 1iqo n LYS 13 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1iqo n ASP 14 N -0.69 0.11 -4.10 4.39 5.68 -1.26 -4.70 116.55 115.97 1iqo n ASP 14 Ca 0.07 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.93 1iqo n ASP 14 Cb 0.40 1.81 -0.00 0.00 -1.14 0.00 0.00 41.12 42.19 1iqo n ASP 14 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1iqo n LEU 15 N -2.33 5.83 -2.15 -2.12 7.94 -1.08 -4.91 117.00 118.18 1iqo n LEU 15 Ca -0.09 -5.16 -0.16 0.00 -1.11 0.00 0.00 56.01 49.49 1iqo n LEU 15 Cb 0.66 -1.30 -0.14 0.00 0.53 0.00 0.00 43.42 43.17 1iqo n LEU 15 CO 0.45 1.59 1.69 -0.81 -1.11 0.00 0.00 177.39 179.19 1iqo n PRO 16 N 1.82 2.16 -1.59 1.96 -0.04 -1.26 -3.51 135.00 134.53 1iqo n PRO 16 Ca 0.25 -1.31 -0.15 0.00 -0.04 0.00 0.00 63.50 62.26 1iqo n PRO 16 Cb 0.36 -2.06 -0.07 0.00 -0.04 0.00 0.00 33.50 31.69 1iqo n PRO 16 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1iqo s GLU 17 N 0.54 1.65 0.00 0.54 2.56 -1.26 -3.02 118.70 119.71 1iqo s GLU 17 Ca 0.66 0.48 0.00 0.00 0.00 0.00 0.00 54.97 56.11 1iqo s GLU 17 Cb 0.33 -4.79 0.00 0.00 2.00 0.00 0.00 34.13 31.66 1iqo s GLU 17 CO -0.04 -4.38 0.00 -1.91 -0.56 0.00 0.00 175.26 168.37 1iqo n GLU 18 N 8.83 0.00 0.00 4.30 4.07 -1.26 -4.90 120.64 131.68 1iqo n GLU 18 Ca 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 1iqo n GLU 18 Cb 0.44 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.82 1iqo n GLU 18 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1iqo n PHE 19 N -1.20 -0.49 -3.83 4.31 7.35 -1.17 -5.17 117.46 117.27 1iqo n PHE 19 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1iqo n PHE 19 Cb 0.00 0.10 -0.05 0.00 0.35 0.00 0.00 39.48 39.88 1iqo n PHE 19 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1iqo s ARG 20 N -0.41 1.34 -0.39 -4.13 1.81 -1.26 -5.05 118.95 110.87 1iqo s ARG 20 Ca 0.00 -0.99 -0.22 0.00 -1.72 0.00 0.00 55.73 52.80 1iqo s ARG 20 Cb 0.00 0.48 -0.22 0.00 -0.45 0.00 0.00 34.95 34.76 1iqo s ARG 20 CO 0.00 -0.55 1.71 -0.35 -0.68 0.00 0.00 175.30 175.42 1iqo n PRO 21 N -0.31 0.78 -0.02 3.54 -0.04 -1.26 -4.57 135.00 133.12 1iqo n PRO 21 Ca -0.08 -1.32 -0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1iqo n PRO 21 Cb 0.62 -2.60 -0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1iqo n PRO 21 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1iqo h PHE 22 N 8.61 -0.00 0.00 0.54 3.57 -1.96 -3.33 116.94 124.37 1iqo h PHE 22 Ca 0.32 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1iqo h PHE 22 Cb 0.56 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1iqo h PHE 22 CO 1.30 -0.00 0.24 -0.24 -2.23 0.00 0.00 178.31 177.38 1iqo h VAL 23 N -0.37 0.00 -1.34 1.41 3.04 -2.03 -2.40 116.25 114.55 1iqo h VAL 23 Ca -0.00 0.00 0.39 0.00 -1.01 0.00 0.00 66.70 66.08 1iqo h VAL 23 Cb 0.00 0.56 -0.05 0.00 -2.01 0.00 0.00 31.29 29.79 1iqo h VAL 23 CO 0.00 0.00 1.03 0.44 -1.01 0.00 0.00 177.57 178.03 1iqo h ASP 24 N 0.00 0.00 -0.27 3.17 5.19 -1.91 0.90 116.42 123.49 1iqo h ASP 24 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1iqo h ASP 24 Cb 0.48 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1iqo h ASP 24 CO 0.00 0.00 0.08 0.10 -3.12 0.00 0.00 179.24 176.30 1iqo h TYR 25 N 0.00 0.52 -0.03 4.55 -0.00 -1.67 -1.46 116.97 118.89 1iqo h TYR 25 Ca 0.64 -0.03 -0.08 0.00 0.00 0.00 0.00 58.73 59.26 1iqo h TYR 25 Cb 2.69 -0.16 -0.01 0.00 0.00 0.00 0.00 36.73 39.25 1iqo h TYR 25 CO 0.00 0.47 -0.36 1.57 -0.00 0.00 0.00 178.16 179.84 1iqo h LYS 26 N 0.51 0.05 0.00 0.10 5.09 0.58 0.85 116.57 123.75 1iqo h LYS 26 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.84 1iqo h LYS 26 Cb 0.21 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.54 1iqo h LYS 26 CO -0.00 0.40 0.00 0.00 -2.09 0.00 0.00 179.45 177.76 1iqo h ALA 27 N 1.60 1.00 0.00 0.07 0.00 -1.26 -3.22 119.26 117.45 1iqo h ALA 27 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1iqo h ALA 27 Cb 0.66 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.19 1iqo h ALA 27 CO 0.05 0.00 -0.84 0.41 0.00 0.00 0.00 179.25 178.87 1iqo n GLY 28 N 0.39 2.17 0.53 0.00 0.00 -0.72 -4.33 105.19 103.23 1iqo n GLY 28 Ca 0.02 -0.93 0.34 0.00 0.00 0.00 0.00 46.02 45.45 1iqo n GLY 28 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iqo h LEU 29 N 0.92 0.00 0.00 0.99 5.85 0.68 -3.39 115.31 120.35 1iqo h LEU 29 Ca -0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1iqo h LEU 29 Cb 1.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1iqo h LEU 29 CO 0.06 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.54 1iqo n GLU 30 N -3.97 0.00 -3.44 1.25 -0.58 -1.26 -4.99 120.64 107.64 1iqo n GLU 30 Ca 0.24 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.79 1iqo n GLU 30 Cb 1.26 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 32.21 1iqo n GLU 30 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1iqo n LYS 31 N 0.00 -6.92 -3.82 3.49 3.00 -1.26 -5.00 118.16 107.66 1iqo n LYS 31 Ca 0.00 0.79 -0.36 0.00 -0.00 0.00 0.00 58.31 58.74 1iqo n LYS 31 Cb 0.00 -5.67 -0.07 0.00 0.00 0.00 0.00 35.03 29.29 1iqo n LYS 31 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1iqo s LYS 32 N -5.79 3.80 -0.45 1.64 1.02 -1.26 -5.05 119.74 113.65 1iqo s LYS 32 Ca 0.30 -0.18 -0.29 0.00 0.02 0.00 0.00 55.97 55.82 1iqo s LYS 32 Cb -0.13 -3.30 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 1iqo s LYS 32 CO 0.69 0.54 1.35 0.15 -0.92 0.00 0.00 175.35 177.16 1iqo s LYS 33 N -0.34 3.57 -0.38 1.68 -0.14 -1.26 -4.67 119.74 118.19 1iqo s LYS 33 Ca 0.11 0.79 0.04 0.00 -1.36 0.00 0.00 55.97 55.55 1iqo s LYS 33 Cb -0.12 -4.01 0.11 0.00 -1.68 0.00 0.00 37.83 32.13 1iqo s LYS 33 CO 0.01 -1.58 0.10 -0.48 -0.76 0.00 0.00 175.35 172.64 1iqo s LEU 34 N 5.30 4.62 0.00 3.17 2.34 -1.26 -4.99 118.68 127.86 1iqo s LEU 34 Ca 0.57 -2.33 0.00 0.00 0.06 0.00 0.00 54.13 52.43 1iqo s LEU 34 Cb -0.12 -1.61 0.00 0.00 -0.56 0.00 0.00 46.19 43.90 1iqo s LEU 34 CO 0.32 -0.35 0.00 -1.54 -1.06 0.00 0.00 176.35 173.72 1iqo n SER 35 N 4.02 0.00 0.00 1.48 3.41 -1.26 -5.04 113.62 116.23 1iqo n SER 35 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1iqo n SER 35 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1iqo n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1iqo n ASP 36 N -1.14 0.00 0.00 4.04 5.75 -1.26 -4.66 116.55 119.28 1iqo n ASP 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1iqo n ASP 36 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1iqo n ASP 36 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1iqo n ASP 37 N 0.00 0.00 -4.71 -1.12 -0.08 -1.26 -4.95 116.55 104.43 1iqo n ASP 37 Ca 0.00 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.94 1iqo n ASP 37 Cb 0.00 0.01 0.11 0.00 2.34 0.00 0.00 41.12 43.58 1iqo n ASP 37 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1iqo s ASP 38 N -1.04 3.87 0.09 1.67 1.01 -1.26 -4.50 116.67 116.51 1iqo s ASP 38 Ca 0.00 2.41 0.04 0.00 0.71 0.00 0.00 52.55 55.71 1iqo s ASP 38 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1iqo s ASP 38 CO 0.00 -2.49 -0.10 -1.61 0.21 0.00 0.00 175.17 171.18 1iqo s GLU 39 N -3.97 0.83 0.16 8.23 2.02 -1.26 -1.21 118.70 123.50 1iqo s GLU 39 Ca 0.75 -1.12 0.10 0.00 0.02 0.00 0.00 54.97 54.72 1iqo s GLU 39 Cb -0.30 -0.54 -0.04 0.00 0.10 0.00 0.00 34.13 33.34 1iqo s GLU 39 CO 0.48 0.09 -0.22 0.42 0.02 0.00 0.00 175.26 176.05 1iqo s ILE 40 N -2.29 2.04 -0.26 -1.63 -1.09 -1.13 -2.61 121.20 114.23 1iqo s ILE 40 Ca 0.04 -1.89 -0.01 0.00 -2.23 0.00 0.00 60.65 56.56 1iqo s ILE 40 Cb -0.04 -1.92 0.04 0.00 -1.58 0.00 0.00 42.46 38.96 1iqo s ILE 40 CO 0.00 -0.17 -0.06 0.00 -1.23 0.00 0.00 174.94 173.49 1iqo s ALA 41 N -1.68 2.69 -0.22 9.38 0.00 -0.73 -0.10 121.76 131.11 1iqo s ALA 41 Ca 0.16 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.58 1iqo s ALA 41 Cb -0.08 -1.71 0.05 0.00 0.00 0.00 0.00 23.12 21.38 1iqo s ALA 41 CO 0.07 -0.95 -0.12 0.42 0.00 0.00 0.00 175.76 175.19 1iqo s ILE 42 N 1.28 1.89 -0.04 0.00 1.09 -0.87 -2.42 121.20 122.13 1iqo s ILE 42 Ca -0.02 -1.22 0.04 0.00 -1.10 0.00 0.00 60.65 58.35 1iqo s ILE 42 Cb -0.18 -1.94 0.00 0.00 -1.06 0.00 0.00 42.46 39.29 1iqo s ILE 42 CO -0.04 0.16 -0.14 0.27 -0.10 0.00 0.00 174.94 175.09 1iqo s ILE 43 N 1.28 1.18 0.08 2.92 -4.36 -1.13 -1.93 121.20 119.24 1iqo s ILE 43 Ca -0.03 -0.58 0.04 0.00 -0.26 0.00 0.00 60.65 59.82 1iqo s ILE 43 Cb -0.17 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.47 1iqo s ILE 43 CO -0.08 0.35 0.04 -0.55 0.24 0.00 0.00 174.94 174.94 1iqo s SER 44 N 0.14 5.31 -0.29 4.36 0.15 -0.49 -1.74 113.70 121.13 1iqo s SER 44 Ca -0.04 -0.08 0.19 0.00 0.70 0.00 0.00 55.95 56.72 1iqo s SER 44 Cb -0.11 -1.36 0.47 0.00 -1.71 0.00 0.00 66.02 63.31 1iqo s SER 44 CO 0.02 0.18 1.23 2.30 1.20 0.00 0.00 173.24 178.16 1iqo n ILE 45 N 0.56 0.85 -1.71 6.45 -5.35 -1.26 -2.73 119.36 116.17 1iqo n ILE 45 Ca -0.10 -2.35 -0.18 0.00 -0.27 0.00 0.00 62.75 59.85 1iqo n ILE 45 Cb 0.52 1.16 -0.07 0.00 -1.74 0.00 0.00 39.64 39.51 1iqo n ILE 45 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1iqo n LYS 46 N -0.82 -1.49 -1.84 6.28 0.00 -1.26 -4.83 118.16 114.20 1iqo n LYS 46 Ca -0.00 1.05 -0.27 0.00 0.00 0.00 0.00 58.31 59.09 1iqo n LYS 46 Cb 0.83 -5.46 -0.07 0.00 0.00 0.00 0.00 35.03 30.32 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iqo n GLY 47 N -0.46 0.85 5.00 3.14 0.00 -1.26 -4.52 105.19 107.94 1iqo n GLY 47 Ca -0.19 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1iqo n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iqo n THR 48 N 7.87 0.00 0.00 2.61 -1.04 -1.26 -3.14 114.28 119.32 1iqo n THR 48 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 1iqo n THR 48 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1iqo n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iqo n GLN 49 N 0.00 0.00 -2.99 -2.82 10.64 -1.26 -5.17 117.38 115.77 1iqo n GLN 49 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 1iqo n GLN 49 Cb 0.00 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.39 1iqo n GLN 49 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1iqo n SER 50 N 0.00 -0.61 -3.48 2.61 7.64 -1.19 -5.16 113.62 113.43 1iqo n SER 50 Ca 0.00 -1.11 -0.22 0.00 1.01 0.00 0.00 58.87 58.55 1iqo n SER 50 Cb 0.00 0.95 -0.07 0.00 -1.01 0.00 0.00 64.21 64.08 1iqo n SER 50 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1iqo n ASN 51 N -0.62 0.36 -4.69 6.43 0.23 -1.26 -4.22 115.26 111.49 1iqo n ASN 51 Ca 0.03 -3.08 -0.28 0.00 -0.53 0.00 0.00 54.58 50.71 1iqo n ASN 51 Cb 0.30 1.26 -0.08 0.00 -2.08 0.00 0.00 39.78 39.19 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1iqo s HIS 52 N -3.14 2.95 0.02 -2.53 3.76 -0.71 -4.95 115.29 110.68 1iqo s HIS 52 Ca 0.28 -0.07 0.06 0.00 -0.15 0.00 0.00 55.06 55.18 1iqo s HIS 52 Cb 0.01 -1.47 -0.02 0.00 1.11 0.00 0.00 32.58 32.22 1iqo s HIS 52 CO 0.20 0.50 -0.18 0.54 -0.85 0.00 0.00 174.74 174.94 1iqo s VAL 53 N -1.53 1.45 -0.16 -0.90 0.11 -1.26 -2.84 120.40 115.27 1iqo s VAL 53 Ca 0.27 -0.98 -0.20 0.00 -2.93 0.00 0.00 61.98 58.14 1iqo s VAL 53 Cb -0.10 -1.25 0.05 0.00 -1.53 0.00 0.00 36.38 33.55 1iqo s VAL 53 CO 0.19 0.24 0.53 -0.76 -3.33 0.00 0.00 175.10 171.97 1iqo s LEU 54 N -0.86 -0.03 -0.20 2.54 1.43 -1.02 -5.00 118.68 115.54 1iqo s LEU 54 Ca 0.06 0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 53.80 1iqo s LEU 54 Cb -0.08 1.87 -0.01 0.00 0.03 0.00 0.00 46.19 48.00 1iqo s LEU 54 CO 0.01 -0.27 1.31 0.12 0.23 0.00 0.00 176.35 177.75 1iqo s PHE 55 N -0.07 2.71 -0.45 0.29 2.19 -1.26 -1.77 117.98 119.62 1iqo s PHE 55 Ca -0.03 0.90 -0.27 0.00 0.33 0.00 0.00 56.93 57.87 1iqo s PHE 55 Cb -0.03 -3.67 -0.06 0.00 -1.31 0.00 0.00 43.02 37.95 1iqo s PHE 55 CO 0.02 -1.88 2.28 -0.51 1.83 0.00 0.00 175.22 176.96 1iqo s LEU 56 N 3.89 3.40 -0.46 6.12 2.01 -1.07 -4.80 118.68 127.76 1iqo s LEU 56 Ca 0.57 1.15 0.04 0.00 0.01 0.00 0.00 54.13 55.89 1iqo s LEU 56 Cb -0.21 -2.74 0.66 0.00 0.01 0.00 0.00 46.19 43.90 1iqo s LEU 56 CO 0.19 -2.60 1.93 -1.20 1.01 0.00 0.00 176.35 175.67 1iqo n SER 57 N 14.50 4.00 -4.22 2.29 7.64 -1.26 -4.75 113.62 131.81 1iqo n SER 57 Ca 0.33 -3.62 -0.29 0.00 1.01 0.00 0.00 58.87 56.30 1iqo n SER 57 Cb 0.52 -0.85 0.25 0.00 -1.01 0.00 0.00 64.21 63.12 1iqo n SER 57 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1iqo n SER 58 N -1.14 -2.39 0.02 6.43 7.64 -1.26 -5.01 113.62 117.92 1iqo n SER 58 Ca 0.60 -0.30 -0.01 0.00 1.01 0.00 0.00 58.87 60.18 1iqo n SER 58 Cb 1.61 -1.12 -0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1iqo n SER 58 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1iqo n TYR 59 N -5.01 0.00 0.00 1.43 4.01 -1.26 -5.08 117.16 111.24 1iqo n TYR 59 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1iqo n TYR 59 Cb 0.56 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1iqo n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1iqo n ASN 60 N -3.30 0.00 0.00 7.72 5.15 -1.26 -5.12 115.26 118.45 1iqo n ASN 60 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1iqo n ASN 60 Cb 0.25 0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.63 1iqo n ASN 60 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1iqo n SER 61 N -1.83 0.00 -4.01 1.20 3.41 -1.26 -5.16 113.62 105.97 1iqo n SER 61 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1iqo n SER 61 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1iqo n SER 61 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1iqo s VAL 62 N 0.00 0.01 0.48 -3.33 -7.23 -1.26 -5.03 120.40 104.03 1iqo s VAL 62 Ca 0.00 -1.46 0.13 0.00 -1.81 0.00 0.00 61.98 58.84 1iqo s VAL 62 Cb 0.00 -2.17 0.26 0.00 0.56 0.00 0.00 36.38 35.03 1iqo s VAL 62 CO 0.00 -0.04 2.10 0.44 -0.31 0.00 0.00 175.10 177.29 1iqo h ASP 63 N 2.34 0.16 0.03 4.85 5.19 -2.03 -1.27 116.42 125.69 1iqo h ASP 63 Ca -0.28 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.12 1iqo h ASP 63 Cb 1.25 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 1iqo h ASP 63 CO 0.39 0.13 -0.03 -0.08 -3.12 0.00 0.00 179.24 176.54 1iqo h GLU 64 N 0.19 0.00 0.32 3.56 4.81 -1.98 0.93 114.58 122.41 1iqo h GLU 64 Ca 0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1iqo h GLU 64 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1iqo h GLU 64 CO -0.01 0.03 -0.15 0.82 -0.73 0.00 0.00 179.01 178.97 1iqo h ILE 65 N 0.00 0.00 -0.43 2.32 1.08 -1.64 -3.07 117.51 115.78 1iqo h ILE 65 Ca -0.00 -0.49 0.04 0.00 -0.39 0.00 0.00 64.86 64.02 1iqo h ILE 65 Cb 0.05 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.78 1iqo h ILE 65 CO 0.00 0.00 0.28 0.08 -0.69 0.00 0.00 178.15 177.83 1iqo h ARG 66 N -0.91 0.41 -0.10 2.37 -0.00 -1.52 -0.71 114.38 113.92 1iqo h ARG 66 Ca -0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.98 59.90 1iqo h ARG 66 Cb 0.33 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 30.20 1iqo h ARG 66 CO 0.07 0.27 0.03 0.87 -0.00 0.00 0.00 179.97 181.22 1iqo h LYS 67 N 0.43 0.14 0.01 0.08 1.57 -0.89 0.94 116.57 118.85 1iqo h LYS 67 Ca 0.18 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1iqo h LYS 67 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1iqo h LYS 67 CO -0.04 0.13 -0.01 1.49 -0.57 0.00 0.00 179.45 180.45 1iqo h GLU 68 N 0.14 -0.02 0.40 3.15 4.22 -1.02 -2.26 114.58 119.19 1iqo h GLU 68 Ca 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.46 1iqo h GLU 68 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1iqo h GLU 68 CO -0.00 0.53 -0.19 1.25 -2.18 0.00 0.00 179.01 178.41 1iqo h LEU 69 N -0.57 -0.45 -1.57 1.64 5.85 -1.38 -2.89 115.31 115.94 1iqo h LEU 69 Ca -0.00 -0.12 0.22 0.00 0.84 0.00 0.00 57.88 58.82 1iqo h LEU 69 Cb 0.55 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1iqo h LEU 69 CO 0.00 -0.11 0.61 -0.08 -0.34 0.00 0.00 178.44 178.53 1iqo h GLU 70 N -0.84 0.33 -0.85 1.25 4.22 -0.95 0.35 114.58 118.10 1iqo h GLU 70 Ca -0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.36 1iqo h GLU 70 Cb 0.54 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1iqo h GLU 70 CO 0.09 0.22 0.52 0.93 -2.18 0.00 0.00 179.01 178.59 1iqo h GLU 71 N 0.34 1.14 0.00 1.92 5.08 -1.23 -2.22 114.58 119.61 1iqo h GLU 71 Ca 0.48 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.69 1iqo h GLU 71 Cb 1.29 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1iqo h GLU 71 CO -0.16 0.80 -0.49 0.00 -1.00 0.00 0.00 179.01 178.16 1iqo h ALA 72 N 1.28 0.77 0.55 3.43 0.00 -0.28 -2.80 119.26 122.22 1iqo h ALA 72 Ca 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1iqo h ALA 72 Cb -0.06 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1iqo h ALA 72 CO -0.06 0.29 -0.47 0.78 0.00 0.00 0.00 179.25 179.79 1iqo h GLY 73 N 3.82 -1.18 -3.84 0.00 0.00 0.07 -3.43 103.07 98.50 1iqo h GLY 73 Ca -0.02 0.54 -0.08 0.00 0.00 0.00 0.00 47.33 47.77 1iqo h GLY 73 CO 0.02 -0.38 -0.13 0.00 0.00 0.00 0.00 176.54 176.06 1iqo n ALA 74 N -2.76 0.30 -0.40 3.60 0.00 -1.17 -4.98 120.51 115.11 1iqo n ALA 74 Ca -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1iqo n ALA 74 Cb 0.45 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1iqo n ALA 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1iqo n LYS 75 N -0.70 0.00 -1.12 0.00 0.00 -1.10 -4.69 118.16 110.54 1iqo n LYS 75 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 57.96 1iqo n LYS 75 Cb 0.67 -0.30 0.06 0.00 0.00 0.00 0.00 35.03 35.46 1iqo n LYS 75 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1iqo n ILE 76 N -2.10 3.22 0.00 3.15 -5.35 -1.07 -4.92 119.36 112.28 1iqo n ILE 76 Ca 0.00 -2.31 0.00 0.00 -0.27 0.00 0.00 62.75 60.17 1iqo n ILE 76 Cb 0.00 -1.21 0.00 0.00 -1.74 0.00 0.00 39.64 36.69 1iqo n ILE 76 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1iqo n ASN 77 N -0.37 0.00 -2.49 7.28 5.03 -1.26 -4.66 115.26 118.79 1iqo n ASN 77 Ca 0.48 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.89 1iqo n ASN 77 Cb 0.66 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.43 1iqo n ASN 77 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1iqo n HIS 78 N 0.00 -2.36 -2.17 3.10 -0.00 -1.26 -4.79 115.22 107.73 1iqo n HIS 78 Ca 0.00 0.94 -0.04 0.00 0.46 0.00 0.00 57.72 59.08 1iqo n HIS 78 Cb 0.00 -3.33 0.00 0.00 -0.12 0.00 0.00 29.99 26.54 1iqo n HIS 78 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1iqo n THR 79 N -0.68 0.00 -0.67 3.57 5.66 -1.26 -4.94 114.28 115.96 1iqo n THR 79 Ca 0.06 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1iqo n THR 79 Cb 0.37 0.58 0.00 0.00 -1.55 0.00 0.00 70.33 69.73 1iqo n THR 79 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1iqo n THR 80 N -0.46 0.13 -2.05 1.09 -2.24 -1.26 -5.00 114.28 104.49 1iqo n THR 80 Ca -0.19 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.21 1iqo n THR 80 Cb 0.68 1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 70.23 1iqo n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1iqo n LEU 81 N -0.06 -1.28 -0.02 3.22 4.32 -1.26 -4.87 117.00 117.04 1iqo n LEU 81 Ca 0.00 0.22 -0.00 0.00 -0.02 0.00 0.00 56.01 56.21 1iqo n LEU 81 Cb 0.26 -2.32 -0.00 0.00 -1.62 0.00 0.00 43.42 39.74 1iqo n LEU 81 CO 0.00 -0.40 -0.03 0.50 -1.22 0.00 0.00 177.39 176.25 1iqo h LYS 82 N 0.00 0.00 -0.49 3.23 1.63 -1.98 -2.55 116.57 116.41 1iqo h LYS 82 Ca -0.34 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.60 1iqo h LYS 82 Cb 1.16 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.77 1iqo h LYS 82 CO 0.43 0.00 0.37 -0.84 -3.45 0.00 0.00 179.45 175.97 1iqo h ILE 83 N -0.43 0.68 0.01 2.00 3.07 -1.98 0.34 117.51 121.20 1iqo h ILE 83 Ca 0.00 0.00 -0.20 0.00 1.55 0.00 0.00 64.86 66.21 1iqo h ILE 83 Cb 0.04 0.73 -0.01 0.00 -0.27 0.00 0.00 36.82 37.31 1iqo h ILE 83 CO 0.00 0.00 -0.89 0.25 -1.05 0.00 0.00 178.15 176.46 1iqo h LEU 84 N 0.00 0.22 -0.36 0.16 6.46 -1.96 -0.45 115.31 119.38 1iqo h LEU 84 Ca 0.23 -0.19 -0.09 0.00 -0.12 0.00 0.00 57.88 57.72 1iqo h LEU 84 Cb 0.98 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 1iqo h LEU 84 CO -0.00 1.00 -0.41 -0.33 -0.62 0.00 0.00 178.44 178.08 1iqo h GLU 85 N 0.09 0.00 0.00 1.25 5.08 -0.00 0.13 114.58 121.12 1iqo h GLU 85 Ca -0.04 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1iqo h GLU 85 Cb 1.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 1iqo h GLU 85 CO 0.13 0.41 -1.45 0.41 -1.00 0.00 0.00 179.01 177.51 1iqo n GLY 86 N 0.86 -1.22 0.14 -3.84 0.00 0.17 -4.63 105.19 96.67 1iqo n GLY 86 Ca 0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.79 0.00 1.84 1.61 -0.00 -0.19 -5.08 115.22 110.61 1iqo n HIS 87 Ca -0.09 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.24 1iqo n HIS 87 Cb 0.78 -0.38 0.87 0.00 -0.12 0.00 0.00 29.99 31.15 1iqo n HIS 87 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08