#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qn2 s ASP 3 N 0.00 5.67 0.46 1.61 -1.08 -1.26 -4.88 116.67 117.19 1qn2 s ASP 3 Ca 0.00 -1.41 0.17 0.00 -0.52 0.00 0.00 52.55 50.79 1qn2 s ASP 3 Cb 0.00 -2.00 1.14 0.00 -1.46 0.00 0.00 42.92 40.61 1qn2 s ASP 3 CO 0.00 -0.51 1.99 0.00 0.52 0.00 0.00 175.17 177.16 1qn2 h ALA 4 N 8.42 2.16 -0.27 3.66 0.00 -1.84 0.20 119.26 131.60 1qn2 h ALA 4 Ca -0.24 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1qn2 h ALA 4 Cb 1.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1qn2 h ALA 4 CO 0.75 -0.30 -0.16 0.00 0.00 0.00 0.00 179.25 179.54 1qn2 h ALA 5 N 1.72 0.38 -0.03 0.00 0.00 -1.93 -2.41 119.26 116.98 1qn2 h ALA 5 Ca 0.27 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1qn2 h ALA 5 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1qn2 h ALA 5 CO -0.06 0.28 -0.65 0.00 0.00 0.00 0.00 179.25 178.82 1qn2 h ALA 6 N 0.73 0.84 -0.45 0.00 0.00 -1.76 -2.97 119.26 115.64 1qn2 h ALA 6 Ca 0.06 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1qn2 h ALA 6 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1qn2 h ALA 6 CO 0.04 0.78 0.25 0.78 0.00 0.00 0.00 179.25 181.10 1qn2 h GLY 7 N 1.69 0.66 0.96 0.00 0.00 -0.85 -0.12 103.07 105.40 1qn2 h GLY 7 Ca -0.01 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.06 1qn2 h GLY 7 CO 0.09 0.27 0.62 -2.09 0.00 0.00 0.00 176.54 175.43 1qn2 h GLU 8 N 0.62 1.21 -0.14 4.80 4.81 -1.26 -1.14 114.58 123.49 1qn2 h GLU 8 Ca 0.16 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.11 1qn2 h GLU 8 Cb 0.01 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.12 1qn2 h GLU 8 CO -0.03 0.80 -0.74 0.87 -0.73 0.00 0.00 179.01 179.19 1qn2 h LYS 9 N 1.25 0.66 0.00 1.92 1.79 -1.35 -3.05 116.57 117.79 1qn2 h LYS 9 Ca 0.36 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1qn2 h LYS 9 Cb -0.09 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1qn2 h LYS 9 CO -0.09 1.14 0.00 0.00 -1.08 0.00 0.00 179.45 179.42 1qn2 n ALA 10 N -2.57 1.73 1.48 3.86 0.00 -0.16 -2.38 120.51 122.47 1qn2 n ALA 10 Ca -0.06 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.50 1qn2 n ALA 10 Cb 0.72 -1.30 0.66 0.00 0.00 0.00 0.00 19.45 19.53 1qn2 n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qn2 n PHE 11 N -1.70 0.00 -0.23 0.00 7.35 -0.47 -4.38 117.46 118.03 1qn2 n PHE 11 Ca 0.03 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.62 1qn2 n PHE 11 Cb 0.20 -0.16 -0.07 0.00 0.35 0.00 0.00 39.48 39.81 1qn2 n PHE 11 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1qn2 h ALA 12 N 3.69 -0.53 -0.62 3.13 0.00 -1.62 0.91 119.26 124.22 1qn2 h ALA 12 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1qn2 h ALA 12 Cb 0.32 1.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1qn2 h ALA 12 CO 0.00 -0.94 0.43 -1.00 0.00 0.00 0.00 179.25 177.74 1qn2 h PRO 13 N -0.24 0.28 -0.17 0.00 0.13 -1.87 -1.28 132.00 128.85 1qn2 h PRO 13 Ca 0.14 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 1qn2 h PRO 13 Cb 0.55 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1qn2 h PRO 13 CO -0.72 0.18 -0.19 0.00 -0.23 0.00 0.00 178.00 177.04 1qn2 h LYS 15 N 0.27 0.12 -0.46 0.00 1.57 -0.77 0.12 116.57 117.43 1qn2 h LYS 15 Ca 0.05 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1qn2 h LYS 15 Cb 0.50 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1qn2 h LYS 15 CO 0.03 0.08 0.31 0.00 -0.57 0.00 0.00 179.45 179.30 1qn2 h ALA 16 N 1.70 1.88 0.00 3.86 0.00 -1.65 -3.24 119.26 121.81 1qn2 h ALA 16 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1qn2 h ALA 16 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1qn2 h ALA 16 CO -0.04 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1qn2 s HIS 18 N -0.49 0.95 0.29 0.00 3.76 0.33 -1.06 115.29 119.07 1qn2 s HIS 18 Ca 0.00 -0.49 -0.08 0.00 -0.15 0.00 0.00 55.06 54.34 1qn2 s HIS 18 Cb 0.00 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.15 1qn2 s HIS 18 CO 0.00 -0.01 0.48 0.54 -0.85 0.00 0.00 174.74 174.90 1qn2 s ASN 19 N -1.71 0.33 -0.22 1.40 2.20 -1.26 -3.98 114.94 111.71 1qn2 s ASN 19 Ca -0.05 -1.20 0.14 0.00 -0.94 0.00 0.00 52.86 50.81 1qn2 s ASN 19 Cb -0.10 0.63 0.51 0.00 -2.00 0.00 0.00 41.25 40.29 1qn2 s ASN 19 CO 0.01 -1.23 1.43 0.49 -2.94 0.00 0.00 177.10 174.86 1qn2 n PHE 20 N -0.46 0.96 0.00 1.54 3.01 -1.26 -1.07 117.46 120.18 1qn2 n PHE 20 Ca -0.01 -1.13 0.00 0.00 1.01 0.00 0.00 57.45 57.32 1qn2 n PHE 20 Cb 0.62 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1qn2 n PHE 20 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1qn2 n GLU 21 N -0.78 1.06 -3.81 -1.08 1.02 -1.26 -4.58 120.64 111.21 1qn2 n GLU 21 Ca 0.25 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.30 1qn2 n GLU 21 Cb 0.94 -0.91 -0.04 0.00 -0.02 0.00 0.00 31.44 31.40 1qn2 n GLU 21 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1qn2 s LYS 22 N -1.83 1.37 0.55 3.49 -2.85 -1.26 -5.02 119.74 114.19 1qn2 s LYS 22 Ca 0.00 -0.97 -0.16 0.00 -1.00 0.00 0.00 55.97 53.84 1qn2 s LYS 22 Cb 0.00 0.49 -0.06 0.00 -2.06 0.00 0.00 37.83 36.20 1qn2 s LYS 22 CO 0.00 -0.57 1.02 -0.80 0.10 0.00 0.00 175.35 175.10 1qn2 s ASN 23 N -2.91 6.25 0.00 0.03 0.01 -1.26 -4.01 114.94 113.06 1qn2 s ASN 23 Ca 0.12 1.68 0.00 0.00 -0.71 0.00 0.00 52.86 53.95 1qn2 s ASN 23 Cb -0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1qn2 s ASN 23 CO -0.01 -0.84 0.00 0.61 -1.51 0.00 0.00 177.10 175.35 1qn2 n GLY 24 N -1.33 3.50 0.29 0.66 0.00 -1.26 -4.95 105.19 102.10 1qn2 n GLY 24 Ca 0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1qn2 n GLY 24 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1qn2 h VAL 25 N 0.00 1.24 -1.84 1.61 2.07 -1.87 -3.43 116.25 114.03 1qn2 h VAL 25 Ca 0.00 -0.76 -0.56 0.00 0.82 0.00 0.00 66.70 66.20 1qn2 h VAL 25 Cb 0.00 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.20 1qn2 h VAL 25 CO 0.00 0.30 -0.55 -0.83 0.02 0.00 0.00 177.57 176.51 1qn2 s GLY 26 N -3.21 2.03 0.71 2.17 0.00 -0.23 -5.07 107.32 103.71 1qn2 s GLY 26 Ca -0.13 -1.90 -0.12 0.00 0.00 0.00 0.00 44.72 42.57 1qn2 s GLY 26 CO 0.81 -1.81 1.09 2.56 0.00 0.00 0.00 173.10 175.74 1qn2 s PRO 27 N -3.83 2.66 0.75 2.90 0.04 -1.26 -4.64 135.00 131.61 1qn2 s PRO 27 Ca 0.38 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.46 1qn2 s PRO 27 Cb -0.01 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.63 1qn2 s PRO 27 CO 0.22 -1.33 1.20 -0.08 0.04 0.00 0.00 177.00 177.05 1qn2 s THR 28 N -2.73 2.31 -0.19 1.26 -1.32 -1.26 -4.52 115.64 109.20 1qn2 s THR 28 Ca 0.62 0.14 0.16 0.00 -1.21 0.00 0.00 61.69 61.41 1qn2 s THR 28 Cb -0.17 -2.67 0.55 0.00 -1.51 0.00 0.00 72.50 68.69 1qn2 s THR 28 CO 0.50 -0.09 1.44 0.18 -2.21 0.00 0.00 174.62 174.44 1qn2 n LEU 29 N -2.86 4.00 -4.69 9.08 4.77 -0.23 -4.79 117.00 122.27 1qn2 n LEU 29 Ca 0.13 -3.04 -0.42 0.00 -0.03 0.00 0.00 56.01 52.66 1qn2 n LEU 29 Cb 0.50 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1qn2 n LEU 29 CO 0.48 0.68 1.32 -0.75 -1.33 0.00 0.00 177.39 177.79 1qn2 s LYS 30 N -2.84 4.20 -1.50 3.23 2.20 -1.26 -2.88 119.74 120.89 1qn2 s LYS 30 Ca 0.43 2.34 -0.06 0.00 -0.36 0.00 0.00 55.97 58.32 1qn2 s LYS 30 Cb 0.35 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 33.15 1qn2 s LYS 30 CO 0.09 -0.72 0.66 0.41 -0.36 0.00 0.00 175.35 175.43 1qn2 n GLY 31 N 3.97 -0.52 0.12 5.54 0.00 -0.87 -4.91 105.19 108.51 1qn2 n GLY 31 Ca 0.16 0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 1qn2 n GLY 31 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1qn2 h VAL 32 N -1.47 1.30 -2.63 1.61 3.04 -1.81 -3.40 116.25 112.89 1qn2 h VAL 32 Ca -0.52 -2.54 -0.55 0.00 -1.01 0.00 0.00 66.70 62.08 1qn2 h VAL 32 Cb 1.36 2.45 -0.01 0.00 -2.01 0.00 0.00 31.29 33.08 1qn2 h VAL 32 CO 0.57 0.68 1.07 -0.69 -1.01 0.00 0.00 177.57 178.19 1qn2 s VAL 33 N -3.10 3.55 0.00 1.51 1.01 -1.26 -1.55 120.40 120.56 1qn2 s VAL 33 Ca 0.01 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1qn2 s VAL 33 Cb 0.10 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1qn2 s VAL 33 CO 0.77 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1qn2 n GLY 34 N 4.10 0.82 3.91 4.51 0.00 0.31 -5.00 105.19 113.84 1qn2 n GLY 34 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1qn2 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn2 s ALA 35 N -3.16 3.35 0.29 4.61 0.00 -0.59 -4.64 121.76 121.61 1qn2 s ALA 35 Ca 0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 51.96 51.11 1qn2 s ALA 35 Cb 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 23.12 20.41 1qn2 s ALA 35 CO 0.00 -0.54 1.00 0.15 0.00 0.00 0.00 175.76 176.37 1qn2 s LYS 36 N -4.86 4.66 0.47 0.00 1.02 -1.26 -0.50 119.74 119.27 1qn2 s LYS 36 Ca 0.50 1.56 -0.23 0.00 0.02 0.00 0.00 55.97 57.83 1qn2 s LYS 36 Cb -0.10 -3.08 -0.07 0.00 -0.52 0.00 0.00 37.83 34.05 1qn2 s LYS 36 CO 0.45 0.31 1.20 0.00 -0.92 0.00 0.00 175.35 176.39 1qn2 s ALA 37 N -1.31 2.96 -1.45 5.17 0.00 0.75 -3.85 121.76 124.04 1qn2 s ALA 37 Ca 0.46 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 53.32 1qn2 s ALA 37 Cb -0.26 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.50 1qn2 s ALA 37 CO 0.33 -0.76 0.96 0.41 0.00 0.00 0.00 175.76 176.69 1qn2 n GLY 38 N 0.50 -0.46 0.00 0.00 0.00 -1.26 -4.70 105.19 99.27 1qn2 n GLY 38 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1qn2 n GLY 38 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qn2 n GLU 39 N -4.63 3.69 0.00 1.61 1.02 -1.25 -4.61 120.64 116.46 1qn2 n GLU 39 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1qn2 n GLU 39 Cb 0.57 -0.37 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 1qn2 n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qn2 n GLY 40 N 0.21 1.46 3.21 0.62 0.00 -1.26 -4.82 105.19 104.61 1qn2 n GLY 40 Ca 0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 1qn2 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn2 n ALA 41 N -3.00 -1.08 -3.83 4.61 0.00 -1.26 -3.40 120.51 112.55 1qn2 n ALA 41 Ca 0.00 0.33 -0.24 0.00 0.00 0.00 0.00 53.44 53.53 1qn2 n ALA 41 Cb 0.00 -4.47 0.01 0.00 0.00 0.00 0.00 19.45 14.99 1qn2 n ALA 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qn2 n ASP 42 N -2.59 -1.21 0.00 0.00 8.00 -1.26 -2.00 116.55 117.49 1qn2 n ASP 42 Ca -0.06 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1qn2 n ASP 42 Cb 0.59 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 38.06 1qn2 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qn2 n GLY 43 N -1.73 0.83 3.55 0.44 0.00 -1.22 -5.01 105.19 102.05 1qn2 n GLY 43 Ca -0.26 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 1qn2 n GLY 43 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1qn2 n TYR 44 N -2.07 0.75 -2.63 1.61 9.36 -0.85 -4.79 117.16 118.54 1qn2 n TYR 44 Ca 0.00 0.69 -0.42 0.00 3.32 0.00 0.00 57.90 61.49 1qn2 n TYR 44 Cb 0.00 -2.17 -0.02 0.00 -0.63 0.00 0.00 39.34 36.52 1qn2 n TYR 44 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1qn2 s ALA 45 N -1.16 3.08 0.64 2.98 0.00 -1.26 -4.99 121.76 121.05 1qn2 s ALA 45 Ca 0.61 -2.62 -0.14 0.00 0.00 0.00 0.00 51.96 49.80 1qn2 s ALA 45 Cb -0.68 -4.50 -0.01 0.00 0.00 0.00 0.00 23.12 17.93 1qn2 s ALA 45 CO 0.59 -3.38 1.07 -0.06 0.00 0.00 0.00 175.76 173.97 1qn2 s PHE 46 N 4.25 2.91 0.73 0.00 0.08 -1.26 -5.01 117.98 119.68 1qn2 s PHE 46 Ca 0.47 1.50 -0.12 0.00 0.12 0.00 0.00 56.93 58.91 1qn2 s PHE 46 Cb 0.01 -3.01 0.04 0.00 -0.57 0.00 0.00 43.02 39.48 1qn2 s PHE 46 CO -0.03 -1.30 1.10 -1.54 -0.10 0.00 0.00 175.22 173.34 1qn2 s SER 47 N -3.02 4.74 0.22 1.36 1.04 -1.26 -4.87 113.70 111.91 1qn2 s SER 47 Ca 0.63 1.87 -0.09 0.00 0.48 0.00 0.00 55.95 58.84 1qn2 s SER 47 Cb -0.16 -2.53 0.21 0.00 0.10 0.00 0.00 66.02 63.64 1qn2 s SER 47 CO 0.43 -1.88 1.86 0.44 0.98 0.00 0.00 173.24 175.08 1qn2 h ASP 48 N -0.72 0.81 -0.08 7.02 3.32 -1.95 -2.06 116.42 122.76 1qn2 h ASP 48 Ca -0.45 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.64 1qn2 h ASP 48 Cb 1.24 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 1qn2 h ASP 48 CO 0.52 0.56 -0.26 0.00 -1.72 0.00 0.00 179.24 178.34 1qn2 h ALA 49 N 1.32 -0.30 -0.39 3.45 0.00 -1.88 0.04 119.26 121.51 1qn2 h ALA 49 Ca 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1qn2 h ALA 49 Cb 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1qn2 h ALA 49 CO -0.11 -0.74 0.17 1.25 0.00 0.00 0.00 179.25 179.82 1qn2 h LEU 50 N -0.36 0.53 -1.80 0.00 5.85 -1.83 -2.05 115.31 115.65 1qn2 h LEU 50 Ca 0.09 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1qn2 h LEU 50 Cb 0.48 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1qn2 h LEU 50 CO -0.28 0.53 0.22 0.11 -0.34 0.00 0.00 178.44 178.67 1qn2 h LYS 51 N 0.49 0.26 -0.00 1.25 1.57 -0.98 -1.72 116.57 117.43 1qn2 h LYS 51 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1qn2 h LYS 51 Cb 0.16 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1qn2 h LYS 51 CO -0.01 0.17 -0.46 1.63 -0.57 0.00 0.00 179.45 180.20 1qn2 n LYS 52 N -4.49 0.37 -0.11 3.15 5.02 -0.03 -4.31 118.16 117.75 1qn2 n LYS 52 Ca 0.03 -0.23 0.11 0.00 -2.02 0.00 0.00 58.31 56.20 1qn2 n LYS 52 Cb 0.20 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.18 1qn2 n LYS 52 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1qn2 h SER 53 N 0.56 0.44 -0.87 4.39 4.64 -0.59 -3.46 113.55 118.67 1qn2 h SER 53 Ca 0.00 0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 61.03 1qn2 h SER 53 Cb 0.52 -0.08 -0.11 0.00 -0.31 0.00 0.00 62.40 62.42 1qn2 h SER 53 CO 0.00 0.27 -0.29 0.61 -0.87 0.00 0.00 176.83 176.55 1qn2 n GLY 54 N -1.50 1.32 3.85 -0.77 0.00 -1.26 -4.97 105.19 101.86 1qn2 n GLY 54 Ca 0.10 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1qn2 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qn2 s LEU 55 N -3.48 4.03 -0.14 0.99 1.02 -1.26 -4.96 118.68 114.88 1qn2 s LEU 55 Ca 0.00 1.26 0.01 0.00 0.02 0.00 0.00 54.13 55.42 1qn2 s LEU 55 Cb 0.00 -4.08 -0.00 0.00 0.02 0.00 0.00 46.19 42.13 1qn2 s LEU 55 CO 0.00 -0.23 -0.17 -0.89 0.02 0.00 0.00 176.35 175.08 1qn2 s THR 56 N -2.04 2.60 -1.00 5.49 2.01 -1.26 -0.18 115.64 121.26 1qn2 s THR 56 Ca 0.54 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 1qn2 s THR 56 Cb -0.10 -2.08 -0.06 0.00 0.01 0.00 0.00 72.50 70.27 1qn2 s THR 56 CO 0.19 0.53 2.21 0.79 -0.69 0.00 0.00 174.62 177.64 1qn2 n TRP 57 N 3.85 1.52 -2.11 4.92 5.03 0.35 -4.67 117.44 126.33 1qn2 n TRP 57 Ca -0.19 -2.10 -0.17 0.00 3.03 0.00 0.00 57.50 58.07 1qn2 n TRP 57 Cb 0.52 -1.78 0.10 0.00 -1.03 0.00 0.00 31.31 29.13 1qn2 n TRP 57 CO 0.00 0.00 0.00 -0.40 -0.03 0.00 0.00 177.69 177.26 1qn2 n ASP 58 N 4.25 0.54 -0.21 -0.99 5.68 -1.26 -0.53 116.55 124.03 1qn2 n ASP 58 Ca 0.49 -1.57 -0.03 0.00 -0.50 0.00 0.00 54.79 53.19 1qn2 n ASP 58 Cb 0.15 -0.53 0.08 0.00 -1.14 0.00 0.00 41.12 39.69 1qn2 n ASP 58 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1qn2 h GLN 59 N 0.00 0.63 -0.41 0.11 4.20 -1.99 -1.21 115.11 116.44 1qn2 h GLN 59 Ca -0.24 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.38 1qn2 h GLN 59 Cb 0.79 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1qn2 h GLN 59 CO 0.22 0.42 0.06 0.00 -0.67 0.00 0.00 178.83 178.85 1qn2 h ALA 60 N 1.32 0.54 -0.10 3.87 0.00 -1.95 -2.22 119.26 120.73 1qn2 h ALA 60 Ca 0.27 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1qn2 h ALA 60 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qn2 h ALA 60 CO -0.17 0.27 -0.63 -0.44 0.00 0.00 0.00 179.25 178.28 1qn2 h ASP 61 N 0.53 0.43 -0.24 0.00 3.32 -1.79 -3.06 116.42 115.60 1qn2 h ASP 61 Ca 0.12 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 1qn2 h ASP 61 Cb 0.39 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1qn2 h ASP 61 CO 0.01 0.95 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.35 1qn2 h LEU 62 N 0.27 0.57 -0.83 1.55 3.38 -1.16 -1.54 115.31 117.55 1qn2 h LEU 62 Ca -0.01 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1qn2 h LEU 62 Cb 1.17 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1qn2 h LEU 62 CO 0.11 0.68 0.07 0.11 0.09 0.00 0.00 178.44 179.50 1qn2 h LYS 63 N 0.56 0.94 0.01 1.13 1.57 -1.31 -1.51 116.57 117.97 1qn2 h LYS 63 Ca 0.11 -0.24 -0.24 0.00 -1.87 0.00 0.00 60.65 58.41 1qn2 h LYS 63 Cb 0.44 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1qn2 h LYS 63 CO 0.02 0.89 -0.99 1.96 -0.57 0.00 0.00 179.45 180.76 1qn2 h GLN 64 N 0.88 0.46 0.05 3.15 4.20 -1.41 -2.64 115.11 119.80 1qn2 h GLN 64 Ca 0.18 -0.52 0.01 0.00 0.06 0.00 0.00 58.65 58.38 1qn2 h GLN 64 Cb 0.42 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1qn2 h GLN 64 CO 0.01 1.16 -0.10 2.35 -0.67 0.00 0.00 178.83 181.59 1qn2 h TRP 65 N 0.25 -0.25 0.00 2.96 2.91 -1.07 -2.23 115.95 118.52 1qn2 h TRP 65 Ca -0.10 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 59.88 1qn2 h TRP 65 Cb 1.64 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 30.39 1qn2 h TRP 65 CO 0.07 -0.15 -0.22 -0.07 -1.03 0.00 0.00 178.44 177.04 1qn2 h LEU 66 N -0.19 0.00 -0.30 0.65 3.38 -1.35 -0.28 115.31 117.23 1qn2 h LEU 66 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1qn2 h LEU 66 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1qn2 h LEU 66 CO -0.07 0.22 -0.33 0.00 0.09 0.00 0.00 178.44 178.36 1qn2 h ALA 67 N 1.78 0.44 -0.70 1.53 0.00 -1.06 0.58 119.26 121.83 1qn2 h ALA 67 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1qn2 h ALA 67 Cb 0.58 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.11 1qn2 h ALA 67 CO 0.03 0.49 -0.33 0.34 0.00 0.00 0.00 179.25 179.78 1qn2 s ASP 68 N -6.62 -1.05 0.20 0.00 -1.08 -0.88 -3.37 116.67 103.87 1qn2 s ASP 68 Ca -0.12 -0.77 -0.15 0.00 -0.52 0.00 0.00 52.55 50.99 1qn2 s ASP 68 Cb 0.09 1.36 0.19 0.00 -1.46 0.00 0.00 42.92 43.10 1qn2 s ASP 68 CO 0.84 -0.09 1.63 -0.65 0.52 0.00 0.00 175.17 177.42 1qn2 h PRO 69 N 5.82 -0.03 -0.72 4.34 0.11 -1.25 -1.74 132.00 138.53 1qn2 h PRO 69 Ca 0.02 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.16 1qn2 h PRO 69 Cb 1.18 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1qn2 h PRO 69 CO 0.01 -0.02 0.48 1.57 -0.21 0.00 0.00 178.00 179.83 1qn2 h LYS 70 N -0.03 0.90 -0.26 1.05 2.10 -1.85 0.49 116.57 118.96 1qn2 h LYS 70 Ca 0.27 -0.05 -0.13 0.00 -2.00 0.00 0.00 60.65 58.73 1qn2 h LYS 70 Cb 0.44 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1qn2 h LYS 70 CO -0.60 0.59 -0.36 -0.22 -2.00 0.00 0.00 179.45 176.87 1qn2 h LYS 71 N 0.92 0.70 -0.09 0.07 3.64 -1.74 -2.84 116.57 117.24 1qn2 h LYS 71 Ca 0.28 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1qn2 h LYS 71 Cb -0.03 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1qn2 h LYS 71 CO -0.07 1.03 0.04 -0.22 -2.27 0.00 0.00 179.45 177.95 1qn2 h LYS 72 N 0.44 0.13 -2.92 1.90 1.63 -0.92 -3.39 116.57 113.45 1qn2 h LYS 72 Ca 0.03 -0.02 -0.60 0.00 -0.85 0.00 0.00 60.65 59.21 1qn2 h LYS 72 Cb 0.94 -0.02 -0.40 0.00 -0.60 0.00 0.00 32.23 32.15 1qn2 h LYS 72 CO 0.08 0.25 -0.77 0.08 -3.45 0.00 0.00 179.45 175.64 1qn2 s VAL 73 N -5.54 0.94 0.18 2.00 1.01 0.12 -5.10 120.40 114.01 1qn2 s VAL 73 Ca -0.14 -2.15 -0.32 0.00 0.00 0.00 0.00 61.98 59.37 1qn2 s VAL 73 Cb 0.06 -1.67 -0.12 0.00 0.00 0.00 0.00 36.38 34.65 1qn2 s VAL 73 CO 0.68 -0.90 1.74 -2.65 0.00 0.00 0.00 175.10 173.98 1qn2 n PRO 74 N 3.86 2.73 -0.02 2.72 -0.02 -1.07 -1.61 135.00 141.59 1qn2 n PRO 74 Ca 0.08 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1qn2 n PRO 74 Cb 0.36 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.00 1qn2 n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qn2 n GLY 75 N 3.99 0.36 3.75 -1.23 0.00 -1.26 -4.83 105.19 105.97 1qn2 n GLY 75 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1qn2 n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qn2 s THR 76 N -2.04 2.79 -2.18 2.61 -1.32 -0.63 -4.66 115.64 110.21 1qn2 s THR 76 Ca 0.00 0.40 0.19 0.00 -1.21 0.00 0.00 61.69 61.07 1qn2 s THR 76 Cb 0.00 -2.97 0.45 0.00 -1.51 0.00 0.00 72.50 68.47 1qn2 s THR 76 CO 0.00 -0.20 1.43 2.29 -2.21 0.00 0.00 174.62 175.93 1qn2 n LYS 77 N -2.35 2.14 -2.74 7.08 2.85 -1.26 -4.80 118.16 119.08 1qn2 n LYS 77 Ca 0.12 -1.75 -0.43 0.00 -1.05 0.00 0.00 58.31 55.20 1qn2 n LYS 77 Cb 0.51 -1.42 -0.03 0.00 -0.65 0.00 0.00 35.03 33.43 1qn2 n LYS 77 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1qn2 s MET 78 N -1.48 3.52 -0.65 -1.58 1.75 -1.26 -4.95 119.30 114.65 1qn2 s MET 78 Ca 0.35 0.16 -0.22 0.00 -1.25 0.00 0.00 55.69 54.73 1qn2 s MET 78 Cb 0.19 -3.96 0.07 0.00 2.84 0.00 0.00 34.83 33.96 1qn2 s MET 78 CO 0.26 -1.39 0.95 0.08 -0.65 0.00 0.00 175.02 174.28 1qn2 s VAL 79 N 4.13 4.34 -0.29 10.11 1.01 -1.26 -4.77 120.40 133.68 1qn2 s VAL 79 Ca 0.39 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 1qn2 s VAL 79 Cb -0.10 -4.67 0.12 0.00 0.00 0.00 0.00 36.38 31.73 1qn2 s VAL 79 CO 0.26 -1.43 0.64 0.12 0.00 0.00 0.00 175.10 174.69 1qn2 s PHE 80 N 4.01 -1.25 0.45 5.22 5.36 -1.26 -5.04 117.98 125.47 1qn2 s PHE 80 Ca 0.22 2.23 0.22 0.00 -0.96 0.00 0.00 56.93 58.63 1qn2 s PHE 80 Cb -0.17 0.73 1.20 0.00 -0.34 0.00 0.00 43.02 44.44 1qn2 s PHE 80 CO 0.10 -0.63 1.86 -1.00 -1.46 0.00 0.00 175.22 174.10 1qn2 h PRO 81 N 7.81 0.28 0.00 10.12 0.13 -1.96 -3.41 132.00 144.98 1qn2 h PRO 81 Ca -0.20 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1qn2 h PRO 81 Cb 1.13 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1qn2 h PRO 81 CO 0.12 0.19 0.00 0.41 -0.23 0.00 0.00 178.00 178.48 1qn2 n GLY 82 N -1.57 2.66 3.48 1.56 0.00 -1.26 -4.64 105.19 105.41 1qn2 n GLY 82 Ca 0.20 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 1qn2 n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qn2 s ILE 83 N -2.62 4.68 -0.67 -0.61 1.01 0.20 -4.93 121.20 118.25 1qn2 s ILE 83 Ca 0.00 -0.21 0.25 0.00 0.00 0.00 0.00 60.65 60.69 1qn2 s ILE 83 Cb 0.00 -3.29 0.29 0.00 0.01 0.00 0.00 42.46 39.47 1qn2 s ILE 83 CO 0.00 0.19 1.72 0.28 0.00 0.00 0.00 174.94 177.13 1qn2 h SER 84 N 8.32 0.00 -3.23 3.58 0.02 -1.86 -3.38 113.55 117.00 1qn2 h SER 84 Ca -0.35 -0.01 -0.71 0.00 -0.84 0.00 0.00 61.79 59.88 1qn2 h SER 84 Cb 1.16 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.50 1qn2 h SER 84 CO 0.59 0.00 -0.12 -0.62 -1.14 0.00 0.00 176.83 175.55 1qn2 s ASP 85 N -4.84 6.19 0.45 3.07 2.15 -1.26 -4.93 116.67 117.50 1qn2 s ASP 85 Ca 0.10 -1.18 0.25 0.00 0.43 0.00 0.00 52.55 52.15 1qn2 s ASP 85 Cb 0.11 -2.24 1.27 0.00 -0.30 0.00 0.00 42.92 41.76 1qn2 s ASP 85 CO 0.62 -0.81 1.79 1.55 -0.17 0.00 0.00 175.17 178.15 1qn2 h PRO 86 N 8.91 0.24 -0.43 4.34 0.14 -2.00 0.59 132.00 143.78 1qn2 h PRO 86 Ca -0.28 -0.01 -0.06 0.00 0.14 0.00 0.00 66.00 65.78 1qn2 h PRO 86 Cb 1.10 -0.05 -0.02 0.00 0.14 0.00 0.00 31.00 32.17 1qn2 h PRO 86 CO 0.95 0.16 0.03 -0.22 0.14 0.00 0.00 178.00 179.05 1qn2 h LYS 87 N 0.24 0.74 -0.42 0.86 3.64 -1.98 -0.70 116.57 118.95 1qn2 h LYS 87 Ca 0.57 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.65 1qn2 h LYS 87 Cb 1.74 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.47 1qn2 h LYS 87 CO -0.19 0.80 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.51 1qn2 h LYS 88 N 0.59 0.72 -0.62 1.90 3.64 -1.34 -1.49 116.57 119.98 1qn2 h LYS 88 Ca 0.13 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1qn2 h LYS 88 Cb 0.45 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1qn2 h LYS 88 CO 0.02 0.78 0.22 0.28 -2.27 0.00 0.00 179.45 178.47 1qn2 h VAL 89 N 0.66 1.23 -0.58 2.00 2.07 -0.99 -1.07 116.25 119.57 1qn2 h VAL 89 Ca 0.12 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 1qn2 h VAL 89 Cb 0.51 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1qn2 h VAL 89 CO 0.03 0.29 0.05 0.44 0.02 0.00 0.00 177.57 178.40 1qn2 h ASP 90 N 0.90 0.96 -0.67 0.57 3.32 -0.45 -1.64 116.42 119.42 1qn2 h ASP 90 Ca 0.21 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 1qn2 h ASP 90 Cb 0.22 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1qn2 h ASP 90 CO -0.01 1.01 0.21 0.44 -1.72 0.00 0.00 179.24 179.16 1qn2 h ASP 91 N 0.89 0.97 -0.75 6.45 3.32 -0.85 -0.19 116.42 126.25 1qn2 h ASP 91 Ca 0.17 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1qn2 h ASP 91 Cb 0.49 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1qn2 h ASP 91 CO 0.02 0.93 0.28 0.40 -1.72 0.00 0.00 179.24 179.14 1qn2 h ILE 92 N 0.97 1.26 -0.37 0.35 2.04 -1.00 -0.86 117.51 119.90 1qn2 h ILE 92 Ca 0.21 -0.85 -0.13 0.00 1.00 0.00 0.00 64.86 65.10 1qn2 h ILE 92 Cb 0.30 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1qn2 h ILE 92 CO -0.01 0.34 -0.29 0.40 0.00 0.00 0.00 178.15 178.59 1qn2 h ILE 93 N 1.11 1.28 -0.97 -0.67 2.04 -0.97 0.41 117.51 119.74 1qn2 h ILE 93 Ca 0.25 -1.44 0.06 0.00 1.00 0.00 0.00 64.86 64.73 1qn2 h ILE 93 Cb 0.25 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 1qn2 h ILE 93 CO -0.02 0.48 0.62 0.00 0.00 0.00 0.00 178.15 179.23 1qn2 h ALA 94 N 0.99 1.32 -0.34 1.87 0.00 -0.54 -0.63 119.26 121.93 1qn2 h ALA 94 Ca 0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1qn2 h ALA 94 Cb 0.83 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1qn2 h ALA 94 CO 0.07 0.43 -0.24 -0.92 0.00 0.00 0.00 179.25 178.59 1qn2 h TYR 95 N 1.15 0.91 -0.38 0.00 3.20 -0.73 -2.95 116.97 118.17 1qn2 h TYR 95 Ca 0.41 -0.25 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1qn2 h TYR 95 Cb 0.12 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1qn2 h TYR 95 CO -0.01 1.00 0.15 -0.07 -1.64 0.00 0.00 178.16 177.59 1qn2 h LEU 96 N 0.55 0.48 -1.85 2.82 3.38 -0.15 -1.44 115.31 119.11 1qn2 h LEU 96 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1qn2 h LEU 96 Cb 0.80 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1qn2 h LEU 96 CO 0.07 0.45 0.01 0.11 0.09 0.00 0.00 178.44 179.16 1qn2 h LYS 97 N 0.54 0.10 0.00 1.13 1.57 -0.97 -0.10 116.57 118.84 1qn2 h LYS 97 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1qn2 h LYS 97 Cb 0.12 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1qn2 h LYS 97 CO -0.01 0.11 0.00 2.41 -0.57 0.00 0.00 179.45 181.38 1qn2 n THR 98 N -4.48 0.40 0.39 -0.16 -1.04 -0.55 -5.08 114.28 103.76 1qn2 n THR 98 Ca -0.02 0.10 0.05 0.00 -2.04 0.00 0.00 64.05 62.14 1qn2 n THR 98 Cb 0.12 -0.71 0.04 0.00 -1.82 0.00 0.00 70.33 67.96 1qn2 n THR 98 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72