#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qn2 s GLY 2 N 0.00 2.57 -0.22 8.31 0.00 -1.26 -4.85 107.32 111.87 1qn2 s GLY 2 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.70 1qn2 s GLY 2 CO 0.00 0.72 -0.11 -0.35 0.00 0.00 0.00 173.10 173.36 1qn2 s ASP 3 N -0.13 3.93 0.27 1.64 2.15 -1.26 -4.87 116.67 118.40 1qn2 s ASP 3 Ca 0.30 -0.80 -0.00 0.00 0.43 0.00 0.00 52.55 52.48 1qn2 s ASP 3 Cb -0.18 -1.60 0.53 0.00 -0.30 0.00 0.00 42.92 41.38 1qn2 s ASP 3 CO 0.16 -0.08 1.80 0.00 -0.17 0.00 0.00 175.17 176.88 1qn2 h ALA 4 N 7.97 1.38 -0.02 3.66 0.00 -1.82 -0.64 119.26 129.79 1qn2 h ALA 4 Ca -0.37 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1qn2 h ALA 4 Cb 1.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qn2 h ALA 4 CO 0.59 0.06 0.02 0.00 0.00 0.00 0.00 179.25 179.92 1qn2 h ALA 5 N 1.54 0.03 -0.52 0.00 0.00 -1.95 0.14 119.26 118.51 1qn2 h ALA 5 Ca 0.47 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 1qn2 h ALA 5 Cb 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1qn2 h ALA 5 CO -0.31 -0.46 0.13 0.00 0.00 0.00 0.00 179.25 178.61 1qn2 h ALA 6 N 0.98 1.25 -0.60 0.00 0.00 -1.78 -2.50 119.26 116.62 1qn2 h ALA 6 Ca 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1qn2 h ALA 6 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1qn2 h ALA 6 CO -0.00 0.52 0.21 0.78 0.00 0.00 0.00 179.25 180.76 1qn2 h GLY 7 N 0.94 0.96 1.45 0.00 0.00 -0.46 -0.79 103.07 105.18 1qn2 h GLY 7 Ca 0.17 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1qn2 h GLY 7 CO -0.00 0.49 0.17 -2.09 0.00 0.00 0.00 176.54 175.11 1qn2 h GLU 8 N 0.88 0.71 -0.13 4.80 4.22 -0.29 -0.86 114.58 123.91 1qn2 h GLU 8 Ca 0.20 -0.11 -0.22 0.00 0.08 0.00 0.00 59.36 59.31 1qn2 h GLU 8 Cb 0.22 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1qn2 h GLU 8 CO -0.01 0.60 -0.79 -0.22 -2.18 0.00 0.00 179.01 176.40 1qn2 h LYS 9 N 0.70 0.72 0.00 1.92 3.64 -1.20 -3.16 116.57 119.19 1qn2 h LYS 9 Ca 0.17 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1qn2 h LYS 9 Cb 0.17 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1qn2 h LYS 9 CO -0.01 1.21 0.00 0.00 -2.27 0.00 0.00 179.45 178.38 1qn2 n ALA 10 N -2.59 1.95 0.89 5.00 0.00 -0.36 -3.16 120.51 122.24 1qn2 n ALA 10 Ca -0.07 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1qn2 n ALA 10 Cb 0.75 -1.38 0.53 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.84 0.00 -0.31 0.00 7.35 -0.37 -4.20 117.46 118.09 1qn2 n PHE 11 Ca 0.04 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.70 1qn2 n PHE 11 Cb 0.28 -0.45 0.02 0.00 0.35 0.00 0.00 39.48 39.68 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 2.89 0.04 -0.57 3.13 0.00 -1.72 0.07 119.26 123.10 1qn2 h ALA 12 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1qn2 h ALA 12 Cb 0.36 0.93 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1qn2 h ALA 12 CO 0.00 -0.66 0.38 -1.00 0.00 0.00 0.00 179.25 177.96 1qn2 h PRO 13 N -0.07 0.61 0.00 0.00 0.13 -1.89 -2.25 132.00 128.52 1qn2 h PRO 13 Ca 0.29 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.33 1qn2 h PRO 13 Cb 0.57 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1qn2 h PRO 13 CO -0.85 0.40 -0.23 0.00 -0.23 0.00 0.00 178.00 177.09 1qn2 h LYS 15 N 0.00 0.10 -0.79 0.00 1.57 -1.17 0.41 116.57 116.69 1qn2 h LYS 15 Ca -0.00 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 1qn2 h LYS 15 Cb 0.51 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1qn2 h LYS 15 CO 0.03 0.07 0.52 0.00 -0.57 0.00 0.00 179.45 179.50 1qn2 h ALA 16 N 1.75 2.01 0.00 3.86 0.00 -1.71 -3.15 119.26 122.01 1qn2 h ALA 16 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1qn2 h ALA 16 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1qn2 h ALA 16 CO -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.01 1qn2 s HIS 18 N -0.11 0.72 0.28 0.00 3.76 0.07 -1.37 115.29 118.64 1qn2 s HIS 18 Ca 0.00 -0.58 -0.07 0.00 -0.15 0.00 0.00 55.06 54.26 1qn2 s HIS 18 Cb 0.00 -0.43 -0.00 0.00 1.11 0.00 0.00 32.58 33.26 1qn2 s HIS 18 CO 0.00 -0.09 0.44 0.54 -0.85 0.00 0.00 174.74 174.78 1qn2 s ASN 19 N -1.87 0.34 -0.08 1.40 2.20 -1.26 -4.21 114.94 111.47 1qn2 s ASN 19 Ca -0.06 -1.21 0.14 0.00 -0.94 0.00 0.00 52.86 50.79 1qn2 s ASN 19 Cb -0.07 0.60 0.46 0.00 -2.00 0.00 0.00 41.25 40.24 1qn2 s ASN 19 CO -0.01 -1.18 1.38 0.49 -2.94 0.00 0.00 177.10 174.85 1qn2 n PHE 20 N -0.44 0.81 0.00 1.54 3.01 -1.26 -1.89 117.46 119.23 1qn2 n PHE 20 Ca -0.00 -0.64 0.00 0.00 1.01 0.00 0.00 57.45 57.82 1qn2 n PHE 20 Cb 0.62 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 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 0.34 2.71 -3.79 -1.08 1.02 -1.26 -4.45 120.64 114.12 1qn2 n GLU 21 Ca 0.17 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.22 1qn2 n GLU 21 Cb 0.66 -0.90 -0.06 0.00 -0.02 0.00 0.00 31.44 31.12 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 -1.75 1.09 0.26 3.49 -2.85 -1.26 -5.03 119.74 113.68 1qn2 s LYS 22 Ca 0.00 -0.92 -0.28 0.00 -1.00 0.00 0.00 55.97 53.77 1qn2 s LYS 22 Cb 0.00 0.42 -0.09 0.00 -2.06 0.00 0.00 37.83 36.10 1qn2 s LYS 22 CO 0.00 -0.41 0.91 -0.80 0.10 0.00 0.00 175.35 175.15 1qn2 s ASN 23 N -2.87 7.50 0.00 0.03 0.01 -1.26 -4.04 114.94 114.30 1qn2 s ASN 23 Ca 0.08 1.86 0.00 0.00 -0.71 0.00 0.00 52.86 54.09 1qn2 s ASN 23 Cb 0.02 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1qn2 s ASN 23 CO -0.07 0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.22 1qn2 n GLY 24 N 1.18 4.90 0.35 0.66 0.00 -1.26 -4.96 105.19 106.06 1qn2 n GLY 24 Ca -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.35 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 1.11 -1.85 1.61 2.07 -1.87 -3.42 116.25 113.90 1qn2 h VAL 25 Ca 0.00 -0.39 -0.55 0.00 0.82 0.00 0.00 66.70 66.57 1qn2 h VAL 25 Cb 0.00 -0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 29.56 1qn2 h VAL 25 CO 0.00 0.21 -0.54 -0.83 0.02 0.00 0.00 177.57 176.42 1qn2 s GLY 26 N -3.20 2.01 0.78 2.17 0.00 -0.47 -5.08 107.32 103.53 1qn2 s GLY 26 Ca -0.13 -1.88 -0.12 0.00 0.00 0.00 0.00 44.72 42.59 1qn2 s GLY 26 CO 0.81 -1.80 1.11 2.56 0.00 0.00 0.00 173.10 175.77 1qn2 s PRO 27 N -3.83 2.27 0.40 2.90 0.04 -1.26 -4.62 135.00 130.91 1qn2 s PRO 27 Ca 0.38 0.50 -0.25 0.00 0.04 0.00 0.00 61.00 61.67 1qn2 s PRO 27 Cb -0.01 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1qn2 s PRO 27 CO 0.22 -1.46 1.15 -0.08 0.04 0.00 0.00 177.00 176.88 1qn2 s THR 28 N -3.28 3.23 -1.49 1.26 -1.32 -1.26 -4.50 115.64 108.29 1qn2 s THR 28 Ca 0.60 1.01 0.18 0.00 -1.21 0.00 0.00 61.69 62.27 1qn2 s THR 28 Cb -0.13 -3.55 0.64 0.00 -1.51 0.00 0.00 72.50 67.95 1qn2 s THR 28 CO 0.53 0.07 1.54 0.18 -2.21 0.00 0.00 174.62 174.73 1qn2 n LEU 29 N 0.01 4.14 -4.70 9.08 4.77 -0.79 -4.72 117.00 124.78 1qn2 n LEU 29 Ca 0.05 -2.08 -0.42 0.00 -0.03 0.00 0.00 56.01 53.53 1qn2 n LEU 29 Cb 0.47 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1qn2 n LEU 29 CO 0.50 0.81 1.40 -0.75 -1.33 0.00 0.00 177.39 178.01 1qn2 s LYS 30 N -1.55 4.16 -1.73 3.23 2.20 -1.26 -2.01 119.74 122.77 1qn2 s LYS 30 Ca 0.47 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.59 1qn2 s LYS 30 Cb 0.28 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1qn2 s LYS 30 CO 0.26 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 1qn2 n GLY 31 N 4.08 -0.42 0.16 5.54 0.00 -0.74 -4.90 105.19 108.91 1qn2 n GLY 31 Ca 0.17 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 1.10 -2.68 1.61 3.04 -1.66 -3.39 116.25 114.26 1qn2 h VAL 32 Ca -0.48 -1.96 -0.55 0.00 -1.01 0.00 0.00 66.70 62.69 1qn2 h VAL 32 Cb 1.35 2.15 -0.02 0.00 -2.01 0.00 0.00 31.29 32.77 1qn2 h VAL 32 CO 0.57 0.51 1.07 -0.69 -1.01 0.00 0.00 177.57 178.01 1qn2 s VAL 33 N -3.42 3.72 0.00 1.51 1.01 -1.26 -1.82 120.40 120.14 1qn2 s VAL 33 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1qn2 s VAL 33 Cb 0.11 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1qn2 s VAL 33 CO 0.73 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1qn2 n GLY 34 N 4.15 0.77 3.93 4.51 0.00 0.51 -5.01 105.19 114.06 1qn2 n GLY 34 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.99 3.54 0.12 4.61 0.00 -0.75 -4.63 121.76 121.65 1qn2 s ALA 35 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 1qn2 s ALA 35 Cb 0.00 -2.37 -0.06 0.00 0.00 0.00 0.00 23.12 20.69 1qn2 s ALA 35 CO 0.00 -0.57 1.03 0.21 0.00 0.00 0.00 175.76 176.43 1qn2 s LYS 36 N -4.76 4.62 0.41 0.00 2.36 -1.26 -0.46 119.74 120.65 1qn2 s LYS 36 Ca 0.51 1.57 -0.25 0.00 -2.55 0.00 0.00 55.97 55.25 1qn2 s LYS 36 Cb -0.10 -3.35 -0.08 0.00 -1.05 0.00 0.00 37.83 33.25 1qn2 s LYS 36 CO 0.41 0.09 1.21 0.00 1.55 0.00 0.00 175.35 178.61 1qn2 s ALA 37 N 0.14 3.15 -1.61 3.13 0.00 -0.19 -3.63 121.76 122.75 1qn2 s ALA 37 Ca 0.49 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1qn2 s ALA 37 Cb -0.26 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1qn2 s ALA 37 CO 0.31 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1qn2 n GLY 38 N 0.63 0.02 0.01 0.00 0.00 -1.26 -4.60 105.19 99.98 1qn2 n GLY 38 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.76 2.20 0.00 1.61 -0.58 -1.24 -4.47 120.64 115.40 1qn2 n GLU 39 Ca -0.20 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 1qn2 n GLU 39 Cb 0.64 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.45 1qn2 n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qn2 n GLY 40 N 2.65 1.10 3.57 0.62 0.00 -1.26 -4.81 105.19 107.06 1qn2 n GLY 40 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.81 -4.07 4.61 0.00 -1.26 -3.04 120.51 111.94 1qn2 n ALA 41 Ca 0.00 0.04 -0.45 0.00 0.00 0.00 0.00 53.44 53.02 1qn2 n ALA 41 Cb 0.00 -3.14 0.02 0.00 0.00 0.00 0.00 19.45 16.33 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 -3.07 -4.02 -2.40 0.00 8.00 -1.26 -1.23 116.55 112.57 1qn2 n ASP 42 Ca -0.20 -1.26 -0.18 0.00 0.71 0.00 0.00 54.79 53.86 1qn2 n ASP 42 Cb 0.64 -1.54 0.02 0.00 -0.02 0.00 0.00 41.12 40.22 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 -2.06 -0.30 3.78 0.44 0.00 -1.17 -4.98 105.19 100.90 1qn2 n GLY 43 Ca -0.12 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1qn2 n GLY 43 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qn2 s TYR 44 N -3.03 2.77 -1.05 1.61 5.04 -0.36 -4.93 117.35 117.40 1qn2 s TYR 44 Ca 0.21 1.55 -0.19 0.00 -2.44 0.00 0.00 57.07 56.20 1qn2 s TYR 44 Cb -0.09 -3.21 0.11 0.00 0.35 0.00 0.00 41.96 39.11 1qn2 s TYR 44 CO 0.26 -1.35 1.35 0.00 -1.34 0.00 0.00 175.55 174.47 1qn2 s ALA 45 N -1.87 3.28 0.63 3.97 0.00 -1.26 -4.98 121.76 121.52 1qn2 s ALA 45 Ca 0.71 -2.74 -0.13 0.00 0.00 0.00 0.00 51.96 49.80 1qn2 s ALA 45 Cb -0.21 -4.28 -0.03 0.00 0.00 0.00 0.00 23.12 18.60 1qn2 s ALA 45 CO 0.26 -3.18 1.04 -0.06 0.00 0.00 0.00 175.76 173.82 1qn2 s PHE 46 N 3.37 3.23 0.86 0.00 0.08 -1.26 -5.04 117.98 119.21 1qn2 s PHE 46 Ca 0.41 1.43 -0.11 0.00 0.12 0.00 0.00 56.93 58.78 1qn2 s PHE 46 Cb -0.02 -2.87 0.11 0.00 -0.57 0.00 0.00 43.02 39.67 1qn2 s PHE 46 CO -0.06 -0.97 1.09 -1.54 -0.10 0.00 0.00 175.22 173.65 1qn2 s SER 47 N -3.49 3.73 0.29 1.36 1.04 -1.26 -4.85 113.70 110.52 1qn2 s SER 47 Ca 0.59 1.68 0.01 0.00 0.48 0.00 0.00 55.95 58.72 1qn2 s SER 47 Cb -0.13 -2.35 0.43 0.00 0.10 0.00 0.00 66.02 64.07 1qn2 s SER 47 CO 0.46 -2.51 1.78 0.44 0.98 0.00 0.00 173.24 174.40 1qn2 h ASP 48 N -1.46 0.59 -0.05 7.02 3.32 -1.96 -2.47 116.42 121.42 1qn2 h ASP 48 Ca -0.47 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 56.45 1qn2 h ASP 48 Cb 1.26 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 1qn2 h ASP 48 CO 0.52 0.72 -0.10 0.00 -1.72 0.00 0.00 179.24 178.67 1qn2 h ALA 49 N 1.34 -0.06 -0.16 3.45 0.00 -1.88 -0.26 119.26 121.69 1qn2 h ALA 49 Ca 0.11 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1qn2 h ALA 49 Cb 0.49 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1qn2 h ALA 49 CO 0.03 -0.57 -0.12 1.25 0.00 0.00 0.00 179.25 179.83 1qn2 h LEU 50 N -0.14 0.39 -1.83 0.00 5.85 -1.86 -2.16 115.31 115.57 1qn2 h LEU 50 Ca 0.05 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.33 1qn2 h LEU 50 Cb 0.22 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1qn2 h LEU 50 CO -0.14 0.76 0.13 0.07 -0.34 0.00 0.00 178.44 178.92 1qn2 h LYS 51 N 0.03 0.23 -0.02 1.25 2.10 -1.33 -1.78 116.57 117.04 1qn2 h LYS 51 Ca 0.03 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1qn2 h LYS 51 Cb 0.63 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1qn2 h LYS 51 CO 0.03 0.15 -0.13 1.63 -2.00 0.00 0.00 179.45 179.14 1qn2 n LYS 52 N -4.51 1.50 0.04 0.07 4.76 -0.12 -4.22 118.16 115.67 1qn2 n LYS 52 Ca 0.00 -1.00 0.09 0.00 -2.87 0.00 0.00 58.31 54.53 1qn2 n LYS 52 Cb 0.10 -1.48 0.53 0.00 -1.84 0.00 0.00 35.03 32.34 1qn2 n LYS 52 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1qn2 h SER 53 N 2.45 0.28 -0.06 4.39 4.64 -0.63 -3.46 113.55 121.16 1qn2 h SER 53 Ca 0.00 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1qn2 h SER 53 Cb 0.62 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1qn2 h SER 53 CO 0.00 0.19 -0.02 0.61 -0.87 0.00 0.00 176.83 176.74 1qn2 n GLY 54 N -1.52 0.38 3.83 -0.77 0.00 -1.26 -4.98 105.19 100.87 1qn2 n GLY 54 Ca 0.04 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.27 3.61 -0.16 0.99 1.43 -1.26 -4.93 118.68 118.08 1qn2 s LEU 55 Ca 0.00 1.65 -0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1qn2 s LEU 55 Cb 0.00 -4.52 -0.00 0.00 0.03 0.00 0.00 46.19 41.70 1qn2 s LEU 55 CO 0.00 -0.73 -0.13 -0.89 0.23 0.00 0.00 176.35 174.82 1qn2 s THR 56 N -2.53 2.79 -0.64 5.49 2.01 -1.26 -1.02 115.64 120.47 1qn2 s THR 56 Ca 0.61 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.84 1qn2 s THR 56 Cb -0.12 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1qn2 s THR 56 CO 0.31 0.50 1.79 0.79 -0.69 0.00 0.00 174.62 177.33 1qn2 n TRP 57 N 4.15 0.96 -1.98 4.92 5.03 0.40 -4.65 117.44 126.25 1qn2 n TRP 57 Ca -0.19 -1.53 -0.27 0.00 3.03 0.00 0.00 57.50 58.54 1qn2 n TRP 57 Cb 0.52 -1.35 0.18 0.00 -1.03 0.00 0.00 31.31 29.62 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 4.41 0.27 -0.33 -0.99 5.68 -1.26 -0.36 116.55 123.96 1qn2 n ASP 58 Ca 0.31 -1.55 -0.04 0.00 -0.50 0.00 0.00 54.79 53.02 1qn2 n ASP 58 Cb 0.10 -0.91 0.09 0.00 -1.14 0.00 0.00 41.12 39.25 1qn2 n ASP 58 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1qn2 h GLN 59 N 0.00 1.24 0.19 0.11 -0.00 -1.99 -1.43 115.11 113.23 1qn2 h GLN 59 Ca -0.40 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.65 58.11 1qn2 h GLN 59 Cb 1.13 -0.25 0.00 0.00 -0.00 0.00 0.00 27.48 28.36 1qn2 h GLN 59 CO 0.30 0.89 -0.09 0.00 -0.00 0.00 0.00 178.83 179.93 1qn2 h ALA 60 N 1.28 -0.25 -0.52 0.06 0.00 -1.94 -0.39 119.26 117.49 1qn2 h ALA 60 Ca 0.32 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 1qn2 h ALA 60 Cb -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1qn2 h ALA 60 CO -0.05 -0.64 -0.15 -0.44 0.00 0.00 0.00 179.25 177.97 1qn2 h ASP 61 N -0.26 1.04 -0.44 0.00 3.32 -1.80 -2.68 116.42 115.60 1qn2 h ASP 61 Ca -0.03 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 1qn2 h ASP 61 Cb 0.20 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1qn2 h ASP 61 CO 0.04 1.17 0.19 -0.07 -1.72 0.00 0.00 179.24 178.85 1qn2 h LEU 62 N 0.90 0.63 -0.02 1.55 3.38 -1.15 -0.17 115.31 120.44 1qn2 h LEU 62 Ca 0.13 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1qn2 h LEU 62 Cb 0.73 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1qn2 h LEU 62 CO 0.06 0.57 0.01 0.50 0.09 0.00 0.00 178.44 179.67 1qn2 h LYS 63 N 0.69 0.02 -0.40 1.13 3.64 -0.80 0.11 116.57 120.96 1qn2 h LYS 63 Ca 0.17 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1qn2 h LYS 63 Cb 0.14 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1qn2 h LYS 63 CO -0.02 0.03 0.08 1.96 -2.27 0.00 0.00 179.45 179.23 1qn2 h GLN 64 N 0.01 0.65 -0.50 1.90 4.20 -1.13 -2.38 115.11 117.85 1qn2 h GLN 64 Ca 0.01 -0.17 0.06 0.00 0.06 0.00 0.00 58.65 58.61 1qn2 h GLN 64 Cb 0.01 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 1qn2 h GLN 64 CO -0.00 0.69 0.21 2.35 -0.67 0.00 0.00 178.83 181.41 1qn2 h TRP 65 N 0.51 0.39 0.00 2.96 2.91 -0.84 -2.33 115.95 119.55 1qn2 h TRP 65 Ca 0.12 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.03 1qn2 h TRP 65 Cb 0.34 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.87 1qn2 h TRP 65 CO 0.02 0.16 -0.63 -0.07 -1.03 0.00 0.00 178.44 176.89 1qn2 h LEU 66 N 0.42 0.00 -0.90 0.65 3.38 -0.92 -1.93 115.31 116.01 1qn2 h LEU 66 Ca 0.23 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 1qn2 h LEU 66 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1qn2 h LEU 66 CO -0.21 0.63 -0.34 0.00 0.09 0.00 0.00 178.44 178.61 1qn2 h ALA 67 N 1.37 1.06 -0.66 1.53 0.00 -0.92 0.36 119.26 122.00 1qn2 h ALA 67 Ca -0.01 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1qn2 h ALA 67 Cb 1.16 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.65 1qn2 h ALA 67 CO 0.08 0.58 -0.28 0.34 0.00 0.00 0.00 179.25 179.97 1qn2 s ASP 68 N -6.85 -1.03 0.13 0.00 -1.08 -0.92 -3.50 116.67 103.43 1qn2 s ASP 68 Ca -0.06 -0.38 -0.24 0.00 -0.52 0.00 0.00 52.55 51.34 1qn2 s ASP 68 Cb 0.13 1.38 -0.03 0.00 -1.46 0.00 0.00 42.92 42.94 1qn2 s ASP 68 CO 0.79 -0.13 1.64 -0.65 0.52 0.00 0.00 175.17 177.34 1qn2 h PRO 69 N 6.59 -0.32 0.00 4.34 0.11 -1.57 -2.55 132.00 138.59 1qn2 h PRO 69 Ca 0.00 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 1qn2 h PRO 69 Cb 1.20 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1qn2 h PRO 69 CO 0.03 -0.21 -0.12 1.57 -0.21 0.00 0.00 178.00 179.05 1qn2 h LYS 70 N -0.33 0.00 0.00 1.05 2.10 -1.85 -0.13 116.57 117.41 1qn2 h LYS 70 Ca 0.08 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.54 1qn2 h LYS 70 Cb 0.45 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.76 1qn2 h LYS 70 CO -0.27 0.12 -0.95 -0.22 -2.00 0.00 0.00 179.45 176.14 1qn2 h LYS 71 N 0.00 0.00 0.07 0.07 3.64 -1.88 -2.27 116.57 116.19 1qn2 h LYS 71 Ca -0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 1qn2 h LYS 71 Cb 0.33 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1qn2 h LYS 71 CO 0.02 0.88 -1.15 -0.22 -2.27 0.00 0.00 179.45 176.71 1qn2 h LYS 72 N 0.00 0.61 -2.50 1.90 1.63 -1.03 -3.39 116.57 113.79 1qn2 h LYS 72 Ca -0.02 -0.75 -0.60 0.00 -0.85 0.00 0.00 60.65 58.43 1qn2 h LYS 72 Cb 1.71 0.24 -0.39 0.00 -0.60 0.00 0.00 32.23 33.19 1qn2 h LYS 72 CO 0.12 1.33 -0.90 0.08 -3.45 0.00 0.00 179.45 176.62 1qn2 s VAL 73 N -3.10 0.79 0.14 2.00 1.01 -0.11 -5.07 120.40 116.06 1qn2 s VAL 73 Ca -0.09 -2.92 -0.35 0.00 0.00 0.00 0.00 61.98 58.63 1qn2 s VAL 73 Cb 0.06 -1.55 -0.15 0.00 0.00 0.00 0.00 36.38 34.75 1qn2 s VAL 73 CO 0.92 -1.19 1.48 -2.65 0.00 0.00 0.00 175.10 173.66 1qn2 n PRO 74 N 2.72 1.80 -0.22 2.72 -0.02 -0.86 -1.29 135.00 139.85 1qn2 n PRO 74 Ca 0.28 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1qn2 n PRO 74 Cb 0.45 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.01 0.65 3.75 -1.23 0.00 -1.26 -4.84 105.19 105.27 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 -2.38 2.72 -2.19 2.61 -1.32 -0.42 -4.67 115.64 110.00 1qn2 s THR 76 Ca 0.00 0.37 0.18 0.00 -1.21 0.00 0.00 61.69 61.03 1qn2 s THR 76 Cb 0.00 -2.96 0.42 0.00 -1.51 0.00 0.00 72.50 68.45 1qn2 s THR 76 CO 0.00 -0.17 1.43 2.29 -2.21 0.00 0.00 174.62 175.96 1qn2 n LYS 77 N -2.32 1.93 -2.58 7.08 2.85 -1.26 -4.74 118.16 119.12 1qn2 n LYS 77 Ca 0.12 -1.42 -0.41 0.00 -1.05 0.00 0.00 58.31 55.55 1qn2 n LYS 77 Cb 0.51 -1.38 -0.03 0.00 -0.65 0.00 0.00 35.03 33.47 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 -1.61 3.21 -0.79 -1.58 1.75 -1.26 -4.94 119.30 114.09 1qn2 s MET 78 Ca 0.31 -0.25 -0.23 0.00 -1.25 0.00 0.00 55.69 54.28 1qn2 s MET 78 Cb 0.17 -4.17 0.07 0.00 2.84 0.00 0.00 34.83 33.74 1qn2 s MET 78 CO 0.24 -2.08 1.16 0.08 -0.65 0.00 0.00 175.02 173.77 1qn2 s VAL 79 N 5.52 4.16 -0.27 10.11 1.01 -1.26 -4.77 120.40 134.89 1qn2 s VAL 79 Ca 0.35 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 1qn2 s VAL 79 Cb -0.09 -4.83 0.08 0.00 0.00 0.00 0.00 36.38 31.55 1qn2 s VAL 79 CO 0.16 -1.66 0.66 0.12 0.00 0.00 0.00 175.10 174.38 1qn2 s PHE 80 N 4.44 -1.06 0.53 5.22 5.36 -1.26 -5.06 117.98 126.15 1qn2 s PHE 80 Ca 0.31 2.09 0.19 0.00 -0.96 0.00 0.00 56.93 58.56 1qn2 s PHE 80 Cb -0.10 0.62 1.37 0.00 -0.34 0.00 0.00 43.02 44.58 1qn2 s PHE 80 CO 0.05 -0.53 2.15 -1.00 -1.46 0.00 0.00 175.22 174.43 1qn2 h PRO 81 N 7.13 0.00 0.00 10.12 0.13 -1.96 -3.40 132.00 144.02 1qn2 h PRO 81 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1qn2 h PRO 81 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1qn2 h PRO 81 CO 0.16 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.34 1qn2 n GLY 82 N -1.51 2.51 3.50 1.56 0.00 -1.26 -4.55 105.19 105.43 1qn2 n GLY 82 Ca -0.02 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.99 4.92 -1.13 -0.61 -1.09 0.13 -4.91 121.20 115.51 1qn2 s ILE 83 Ca 0.00 -0.21 0.29 0.00 -2.23 0.00 0.00 60.65 58.50 1qn2 s ILE 83 Cb 0.00 -3.46 0.31 0.00 -1.58 0.00 0.00 42.46 37.73 1qn2 s ILE 83 CO 0.00 0.11 1.94 -1.20 -1.23 0.00 0.00 174.94 174.56 1qn2 n SER 84 N 5.03 0.04 -4.40 3.58 7.64 -1.26 -4.12 113.62 120.12 1qn2 n SER 84 Ca -0.14 0.26 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 1qn2 n SER 84 Cb 0.50 -0.40 -0.09 0.00 -1.01 0.00 0.00 64.21 63.22 1qn2 n SER 84 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1qn2 s ASP 85 N -2.87 6.06 0.28 6.43 -1.08 -1.26 -4.96 116.67 119.27 1qn2 s ASP 85 Ca 0.18 -1.17 0.02 0.00 -0.52 0.00 0.00 52.55 51.06 1qn2 s ASP 85 Cb 0.19 -2.15 0.58 0.00 -1.46 0.00 0.00 42.92 40.08 1qn2 s ASP 85 CO 0.52 -0.55 1.83 1.55 0.52 0.00 0.00 175.17 179.04 1qn2 h PRO 86 N 8.66 0.94 -0.69 4.34 0.13 -2.00 -0.68 132.00 142.70 1qn2 h PRO 86 Ca -0.27 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.76 1qn2 h PRO 86 Cb 1.11 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 1qn2 h PRO 86 CO 0.80 0.63 0.27 0.87 -0.23 0.00 0.00 178.00 180.34 1qn2 h LYS 87 N 0.97 1.04 -0.79 0.86 6.56 -1.98 -1.26 116.57 121.98 1qn2 h LYS 87 Ca 0.51 -0.19 -0.04 0.00 -1.06 0.00 0.00 60.65 59.87 1qn2 h LYS 87 Cb 0.54 -0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 31.99 1qn2 h LYS 87 CO -0.28 0.86 0.33 -0.22 -2.06 0.00 0.00 179.45 178.09 1qn2 h LYS 88 N 0.99 1.17 -0.57 3.15 3.64 -1.59 -0.85 116.57 122.51 1qn2 h LYS 88 Ca 0.23 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1qn2 h LYS 88 Cb 0.22 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1qn2 h LYS 88 CO -0.02 0.94 0.35 0.28 -2.27 0.00 0.00 179.45 178.73 1qn2 h VAL 89 N 1.14 1.16 -0.66 2.00 2.07 -0.71 -0.32 116.25 120.93 1qn2 h VAL 89 Ca 0.27 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1qn2 h VAL 89 Cb 0.19 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1qn2 h VAL 89 CO -0.03 0.17 0.36 0.44 0.02 0.00 0.00 177.57 178.53 1qn2 h ASP 90 N 0.77 0.83 -0.48 0.57 3.32 -0.80 -1.26 116.42 119.37 1qn2 h ASP 90 Ca 0.21 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1qn2 h ASP 90 Cb -0.04 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1qn2 h ASP 90 CO -0.04 0.69 0.31 0.44 -1.72 0.00 0.00 179.24 178.92 1qn2 h ASP 91 N 0.90 0.54 -0.77 6.45 3.32 -0.65 -0.03 116.42 126.18 1qn2 h ASP 91 Ca 0.23 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.28 1qn2 h ASP 91 Cb 0.05 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1qn2 h ASP 91 CO -0.04 0.39 0.51 0.40 -1.72 0.00 0.00 179.24 178.78 1qn2 h ILE 92 N 0.64 1.20 -0.45 0.35 2.04 -0.69 -1.08 117.51 119.53 1qn2 h ILE 92 Ca 0.18 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 1qn2 h ILE 92 Cb -0.06 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 1qn2 h ILE 92 CO -0.04 0.19 0.03 0.40 0.00 0.00 0.00 178.15 178.73 1qn2 h ILE 93 N 1.04 1.22 -0.49 -0.67 2.04 -0.54 -0.27 117.51 119.85 1qn2 h ILE 93 Ca 0.28 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1qn2 h ILE 93 Cb -0.12 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1qn2 h ILE 93 CO -0.06 0.31 0.08 0.00 0.00 0.00 0.00 178.15 178.48 1qn2 h ALA 94 N 1.36 1.23 -0.34 1.87 0.00 -0.22 -2.09 119.26 121.06 1qn2 h ALA 94 Ca 0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1qn2 h ALA 94 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1qn2 h ALA 94 CO 0.01 0.52 0.02 -0.92 0.00 0.00 0.00 179.25 178.89 1qn2 h TYR 95 N 0.73 0.63 -0.67 0.00 3.20 -0.22 -2.97 116.97 117.67 1qn2 h TYR 95 Ca 0.16 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1qn2 h TYR 95 Cb 0.33 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 1qn2 h TYR 95 CO 0.02 0.68 0.44 -0.07 -1.64 0.00 0.00 178.16 177.59 1qn2 h LEU 96 N 0.40 0.73 -1.74 2.82 3.38 -0.77 -1.48 115.31 118.65 1qn2 h LEU 96 Ca 0.10 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1qn2 h LEU 96 Cb 0.41 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1qn2 h LEU 96 CO 0.01 0.52 -0.11 0.11 0.09 0.00 0.00 178.44 179.05 1qn2 h LYS 97 N 0.85 0.02 0.00 1.13 1.57 -1.23 -1.34 116.57 117.58 1qn2 h LYS 97 Ca 0.26 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1qn2 h LYS 97 Cb -0.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1qn2 h LYS 97 CO -0.06 0.14 0.00 1.79 -0.57 0.00 0.00 179.45 180.74 1qn2 h THR 98 N 0.02 0.00 -0.02 -0.16 1.35 -1.22 -3.51 112.91 109.37 1qn2 h THR 98 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1qn2 h THR 98 Cb 0.22 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1qn2 h THR 98 CO 0.02 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.58