#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 6.17 0.46 1.61 -1.08 -1.26 -4.86 116.67 117.71 1qn2 s ASP 3 Ca 0.00 -1.37 0.13 0.00 -0.52 0.00 0.00 52.55 50.79 1qn2 s ASP 3 Cb 0.00 -2.22 1.06 0.00 -1.46 0.00 0.00 42.92 40.30 1qn2 s ASP 3 CO 0.00 -0.78 2.06 0.00 0.52 0.00 0.00 175.17 176.97 1qn2 h ALA 4 N 8.87 1.92 -0.39 3.66 0.00 -1.84 0.68 119.26 132.16 1qn2 h ALA 4 Ca -0.29 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1qn2 h ALA 4 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1qn2 h ALA 4 CO 0.95 0.02 -0.20 0.00 0.00 0.00 0.00 179.25 180.02 1qn2 h ALA 5 N 1.80 0.55 0.00 0.00 0.00 -1.92 -1.01 119.26 118.68 1qn2 h ALA 5 Ca 0.15 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1qn2 h ALA 5 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qn2 h ALA 5 CO -0.03 0.51 -0.47 0.00 0.00 0.00 0.00 179.25 179.26 1qn2 h ALA 6 N 0.81 0.96 -0.43 0.00 0.00 -1.76 -3.04 119.26 115.80 1qn2 h ALA 6 Ca 0.09 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1qn2 h ALA 6 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qn2 h ALA 6 CO 0.06 0.59 -0.15 0.78 0.00 0.00 0.00 179.25 180.53 1qn2 h GLY 7 N 2.09 0.93 1.38 0.00 0.00 -0.56 -1.35 103.07 105.56 1qn2 h GLY 7 Ca -0.00 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 46.55 1qn2 h GLY 7 CO 0.06 0.73 0.35 -2.09 0.00 0.00 0.00 176.54 175.59 1qn2 h GLU 8 N 0.69 0.59 -0.03 4.80 4.81 -1.08 -0.15 114.58 124.21 1qn2 h GLU 8 Ca 0.10 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 59.07 1qn2 h GLU 8 Cb 0.70 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.95 1qn2 h GLU 8 CO 0.05 0.39 -0.92 0.87 -0.73 0.00 0.00 179.01 178.67 1qn2 h LYS 9 N 0.61 0.51 0.00 1.92 1.57 -1.44 -3.18 116.57 116.56 1qn2 h LYS 9 Ca 0.21 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1qn2 h LYS 9 Cb 0.09 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1qn2 h LYS 9 CO -0.05 1.15 0.00 0.00 -0.57 0.00 0.00 179.45 179.97 1qn2 n ALA 10 N -2.57 1.89 1.21 3.86 0.00 -0.54 -2.66 120.51 121.71 1qn2 n ALA 10 Ca -0.07 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.55 1qn2 n ALA 10 Cb 0.82 -1.42 0.67 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.28 0.00 -0.32 0.00 7.35 -0.16 -4.23 117.46 117.83 1qn2 n PHE 11 Ca 0.03 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.62 1qn2 n PHE 11 Cb 0.31 -0.35 -0.07 0.00 0.35 0.00 0.00 39.48 39.71 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 3.21 -0.49 -0.19 3.13 0.00 -1.64 0.50 119.26 123.77 1qn2 h ALA 12 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1qn2 h ALA 12 Cb 0.33 1.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1qn2 h ALA 12 CO 0.00 -0.93 0.17 -1.00 0.00 0.00 0.00 179.25 177.49 1qn2 h PRO 13 N -0.13 0.00 -0.01 0.00 0.13 -1.87 -1.87 132.00 128.25 1qn2 h PRO 13 Ca 0.16 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.19 1qn2 h PRO 13 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1qn2 h PRO 13 CO -0.83 0.00 -0.51 0.00 -0.23 0.00 0.00 178.00 176.44 1qn2 h LYS 15 N 0.03 0.00 0.00 0.00 1.63 -1.11 -0.41 116.57 116.70 1qn2 h LYS 15 Ca -0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1qn2 h LYS 15 Cb 0.90 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 1qn2 h LYS 15 CO 0.07 0.00 -0.22 0.00 -3.45 0.00 0.00 179.45 175.84 1qn2 h ALA 16 N 1.82 1.36 0.00 5.00 0.00 -1.73 -3.29 119.26 122.42 1qn2 h ALA 16 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qn2 h ALA 16 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qn2 h ALA 16 CO -0.00 0.28 -0.02 0.00 0.00 0.00 0.00 179.25 179.51 1qn2 s HIS 18 N -0.77 0.86 0.37 0.00 3.76 -0.21 -0.86 115.29 118.44 1qn2 s HIS 18 Ca 0.00 -0.62 -0.06 0.00 -0.15 0.00 0.00 55.06 54.23 1qn2 s HIS 18 Cb 0.00 -0.50 0.02 0.00 1.11 0.00 0.00 32.58 33.22 1qn2 s HIS 18 CO 0.00 -0.06 0.59 0.54 -0.85 0.00 0.00 174.74 174.96 1qn2 s ASN 19 N -2.10 0.69 -0.03 1.40 2.20 -1.26 -4.00 114.94 111.84 1qn2 s ASN 19 Ca -0.01 -1.42 0.10 0.00 -0.94 0.00 0.00 52.86 50.59 1qn2 s ASN 19 Cb -0.05 0.74 0.27 0.00 -2.00 0.00 0.00 41.25 40.21 1qn2 s ASN 19 CO -0.01 -1.45 1.22 0.49 -2.94 0.00 0.00 177.10 174.41 1qn2 n PHE 20 N -0.57 0.42 -0.05 1.54 3.01 -1.26 -1.14 117.46 119.41 1qn2 n PHE 20 Ca -0.02 -0.57 -0.08 0.00 1.01 0.00 0.00 57.45 57.79 1qn2 n PHE 20 Cb 0.61 -0.07 -0.04 0.00 -0.01 0.00 0.00 39.48 39.96 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 0.12 0.24 -4.05 -1.08 1.02 -1.26 -4.44 120.64 111.19 1qn2 n GLU 21 Ca 0.11 0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 57.22 1qn2 n GLU 21 Cb 0.46 -1.08 -0.07 0.00 -0.02 0.00 0.00 31.44 30.73 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 -2.19 1.34 0.28 3.49 -2.85 -1.26 -5.02 119.74 113.53 1qn2 s LYS 22 Ca -0.14 -1.34 -0.28 0.00 -1.00 0.00 0.00 55.97 53.21 1qn2 s LYS 22 Cb 0.04 0.39 -0.09 0.00 -2.06 0.00 0.00 37.83 36.11 1qn2 s LYS 22 CO 0.21 -0.51 0.96 -0.80 0.10 0.00 0.00 175.35 175.30 1qn2 s ASN 23 N -3.05 7.47 0.00 0.03 0.01 -1.26 -4.05 114.94 114.09 1qn2 s ASN 23 Ca 0.26 1.93 0.00 0.00 -0.71 0.00 0.00 52.86 54.33 1qn2 s ASN 23 Cb 0.03 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1qn2 s ASN 23 CO 0.07 0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 1qn2 n GLY 24 N 1.05 4.58 0.36 0.66 0.00 -1.26 -4.96 105.19 105.62 1qn2 n GLY 24 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 1.17 -1.65 1.61 2.07 -1.86 -3.42 116.25 114.16 1qn2 h VAL 25 Ca 0.00 -0.36 -0.60 0.00 0.82 0.00 0.00 66.70 66.56 1qn2 h VAL 25 Cb 0.00 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 29.69 1qn2 h VAL 25 CO 0.00 0.19 -0.56 -0.83 0.02 0.00 0.00 177.57 176.39 1qn2 s GLY 26 N -3.36 2.42 0.63 2.17 0.00 -0.04 -5.06 107.32 104.09 1qn2 s GLY 26 Ca -0.11 -2.22 -0.13 0.00 0.00 0.00 0.00 44.72 42.27 1qn2 s GLY 26 CO 0.79 -2.02 1.04 2.56 0.00 0.00 0.00 173.10 175.47 1qn2 s PRO 27 N -3.79 3.32 0.52 2.90 0.04 -1.26 -4.64 135.00 132.09 1qn2 s PRO 27 Ca 0.37 0.95 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 1qn2 s PRO 27 Cb 0.07 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1qn2 s PRO 27 CO 0.20 -0.80 1.23 -0.08 0.04 0.00 0.00 177.00 177.59 1qn2 s THR 28 N -2.90 2.72 -1.66 1.26 -1.32 -1.26 -4.49 115.64 107.99 1qn2 s THR 28 Ca 0.58 0.51 0.20 0.00 -1.21 0.00 0.00 61.69 61.77 1qn2 s THR 28 Cb -0.13 -3.24 0.58 0.00 -1.51 0.00 0.00 72.50 68.19 1qn2 s THR 28 CO 0.48 -0.03 1.48 0.18 -2.21 0.00 0.00 174.62 174.52 1qn2 n LEU 29 N -0.95 3.79 -4.67 9.08 4.77 -0.29 -4.81 117.00 123.92 1qn2 n LEU 29 Ca 0.10 -2.04 -0.46 0.00 -0.03 0.00 0.00 56.01 53.58 1qn2 n LEU 29 Cb 0.48 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1qn2 n LEU 29 CO 0.48 0.92 1.23 1.17 -1.33 0.00 0.00 177.39 179.86 1qn2 n LYS 30 N 1.34 2.20 -3.10 3.23 4.81 -1.26 -1.74 118.16 123.65 1qn2 n LYS 30 Ca 0.22 0.79 -0.23 0.00 -0.87 0.00 0.00 58.31 58.23 1qn2 n LYS 30 Cb 0.60 -2.58 0.03 0.00 0.02 0.00 0.00 35.03 33.10 1qn2 n LYS 30 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qn2 n GLY 31 N 3.53 -0.51 0.11 3.14 0.00 0.11 -4.89 105.19 106.67 1qn2 n GLY 31 Ca 0.17 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.27 1.50 -2.66 1.61 3.04 -1.59 -3.39 116.25 113.48 1qn2 h VAL 32 Ca -0.50 -2.61 -0.56 0.00 -1.01 0.00 0.00 66.70 62.02 1qn2 h VAL 32 Cb 1.35 2.42 -0.02 0.00 -2.01 0.00 0.00 31.29 33.03 1qn2 h VAL 32 CO 0.56 0.74 1.10 -0.69 -1.01 0.00 0.00 177.57 178.26 1qn2 s VAL 33 N -3.23 3.65 0.00 1.51 1.01 -1.26 -1.54 120.40 120.54 1qn2 s VAL 33 Ca -0.00 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1qn2 s VAL 33 Cb 0.11 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1qn2 s VAL 33 CO 0.78 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1qn2 n GLY 34 N 4.29 0.77 3.89 4.51 0.00 0.11 -5.00 105.19 113.76 1qn2 n GLY 34 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.51 3.29 0.07 4.61 0.00 -0.59 -4.64 121.76 121.99 1qn2 s ALA 35 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 1qn2 s ALA 35 Cb 0.00 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 1qn2 s ALA 35 CO 0.00 -0.48 1.02 0.15 0.00 0.00 0.00 175.76 176.46 1qn2 s LYS 36 N -4.90 4.60 0.30 0.00 3.01 -1.26 0.11 119.74 121.60 1qn2 s LYS 36 Ca 0.50 1.53 -0.29 0.00 -1.01 0.00 0.00 55.97 56.70 1qn2 s LYS 36 Cb -0.11 -3.39 -0.11 0.00 -1.01 0.00 0.00 37.83 33.22 1qn2 s LYS 36 CO 0.48 0.03 1.46 0.00 0.51 0.00 0.00 175.35 177.84 1qn2 s ALA 37 N 0.47 3.62 -1.35 5.17 0.00 0.81 -3.44 121.76 127.04 1qn2 s ALA 37 Ca 0.51 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1qn2 s ALA 37 Cb -0.24 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1qn2 s ALA 37 CO 0.30 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1qn2 n GLY 38 N 1.55 -0.16 0.02 0.00 0.00 -1.26 -4.66 105.19 100.68 1qn2 n GLY 38 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1qn2 n GLY 38 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1qn2 n GLU 39 N -2.72 3.28 0.00 1.61 -0.00 -1.22 -4.40 120.64 117.18 1qn2 n GLU 39 Ca -0.17 -0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1qn2 n GLU 39 Cb 0.61 -1.10 0.00 0.00 -0.00 0.00 0.00 31.44 30.95 1qn2 n GLU 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qn2 n GLY 40 N 2.76 0.91 3.84 -1.84 0.00 -1.26 -4.86 105.19 104.74 1qn2 n GLY 40 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.83 -4.31 4.61 0.00 -1.26 -2.55 120.51 112.17 1qn2 n ALA 41 Ca 0.00 -0.12 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 1qn2 n ALA 41 Cb 0.00 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.00 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 -2.97 -2.33 0.00 0.00 8.00 -1.26 -1.38 116.55 116.61 1qn2 n ASP 42 Ca -0.22 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.18 1qn2 n ASP 42 Cb 0.64 -2.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.41 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 -1.42 0.74 3.72 0.44 0.00 -1.06 -5.04 105.19 102.57 1qn2 n GLY 43 Ca 0.03 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.50 2.14 -2.68 1.61 9.36 -0.48 -4.86 117.16 119.76 1qn2 n TYR 44 Ca 0.00 0.46 -0.42 0.00 3.32 0.00 0.00 57.90 61.25 1qn2 n TYR 44 Cb 0.00 -2.36 -0.02 0.00 -0.63 0.00 0.00 39.34 36.33 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 -1.26 3.10 0.58 2.98 0.00 -1.26 -4.99 121.76 120.91 1qn2 s ALA 45 Ca 0.67 -2.61 -0.16 0.00 0.00 0.00 0.00 51.96 49.86 1qn2 s ALA 45 Cb -0.45 -4.42 -0.04 0.00 0.00 0.00 0.00 23.12 18.20 1qn2 s ALA 45 CO 0.53 -3.34 1.04 -0.06 0.00 0.00 0.00 175.76 173.94 1qn2 s PHE 46 N 4.02 3.12 0.94 0.00 0.08 -1.26 -5.02 117.98 119.85 1qn2 s PHE 46 Ca 0.45 1.49 -0.11 0.00 0.12 0.00 0.00 56.93 58.88 1qn2 s PHE 46 Cb -0.00 -2.94 0.16 0.00 -0.57 0.00 0.00 43.02 39.66 1qn2 s PHE 46 CO -0.05 -0.93 1.12 -1.54 -0.10 0.00 0.00 175.22 173.72 1qn2 s SER 47 N -2.94 2.82 0.21 1.36 1.04 -1.26 -4.83 113.70 110.10 1qn2 s SER 47 Ca 0.62 1.98 -0.06 0.00 0.48 0.00 0.00 55.95 58.97 1qn2 s SER 47 Cb -0.14 -2.49 0.17 0.00 0.10 0.00 0.00 66.02 63.65 1qn2 s SER 47 CO 0.37 -3.13 1.64 0.44 0.98 0.00 0.00 173.24 173.54 1qn2 h ASP 48 N -1.89 0.86 0.19 7.02 5.19 -1.96 -2.40 116.42 123.44 1qn2 h ASP 48 Ca -0.47 -0.28 0.01 0.00 -0.62 0.00 0.00 57.03 55.67 1qn2 h ASP 48 Cb 1.28 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 1qn2 h ASP 48 CO 0.45 1.01 -0.25 0.00 -3.12 0.00 0.00 179.24 177.33 1qn2 h ALA 49 N 1.07 -0.47 -0.72 3.45 0.00 -1.88 -2.11 119.26 118.59 1qn2 h ALA 49 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1qn2 h ALA 49 Cb 0.66 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1qn2 h ALA 49 CO 0.05 -0.80 0.33 1.25 0.00 0.00 0.00 179.25 180.07 1qn2 h LEU 50 N -0.49 0.95 -1.19 0.00 5.85 -1.86 -1.86 115.31 116.71 1qn2 h LEU 50 Ca 0.01 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1qn2 h LEU 50 Cb 0.48 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1qn2 h LEU 50 CO -0.09 0.84 0.56 0.11 -0.34 0.00 0.00 178.44 179.51 1qn2 h LYS 51 N 1.01 1.01 -0.04 1.25 1.57 -1.21 -2.56 116.57 117.60 1qn2 h LYS 51 Ca 0.24 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1qn2 h LYS 51 Cb 0.15 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1qn2 h LYS 51 CO -0.03 0.67 0.00 1.63 -0.57 0.00 0.00 179.45 181.15 1qn2 n LYS 52 N -4.45 1.91 0.08 3.15 5.02 -0.81 -4.34 118.16 118.72 1qn2 n LYS 52 Ca 0.11 -1.33 0.05 0.00 -2.02 0.00 0.00 58.31 55.12 1qn2 n LYS 52 Cb 0.13 -1.47 0.47 0.00 -0.02 0.00 0.00 35.03 34.14 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 3.19 0.32 -0.15 4.39 4.64 -0.90 -3.46 113.55 121.59 1qn2 h SER 53 Ca 0.00 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1qn2 h SER 53 Cb 0.68 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1qn2 h SER 53 CO 0.00 0.27 -0.06 0.61 -0.87 0.00 0.00 176.83 176.78 1qn2 n GLY 54 N -1.39 0.56 3.83 -0.77 0.00 -1.26 -4.99 105.19 101.17 1qn2 n GLY 54 Ca 0.01 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.69 3.94 -0.15 0.99 1.43 -1.26 -4.95 118.68 117.98 1qn2 s LEU 55 Ca 0.00 1.57 -0.01 0.00 -1.03 0.00 0.00 54.13 54.66 1qn2 s LEU 55 Cb 0.00 -4.42 -0.02 0.00 0.03 0.00 0.00 46.19 41.78 1qn2 s LEU 55 CO 0.00 -0.35 -0.10 -0.89 0.23 0.00 0.00 176.35 175.24 1qn2 s THR 56 N -2.18 3.21 -1.05 5.49 2.01 -1.26 -0.13 115.64 121.72 1qn2 s THR 56 Ca 0.60 -0.59 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 1qn2 s THR 56 Cb -0.09 -2.38 -0.08 0.00 0.01 0.00 0.00 72.50 69.96 1qn2 s THR 56 CO 0.16 0.50 2.18 0.79 -0.69 0.00 0.00 174.62 177.57 1qn2 n TRP 57 N 3.74 2.04 -2.11 4.92 5.03 0.12 -4.72 117.44 126.46 1qn2 n TRP 57 Ca -0.18 -2.23 -0.18 0.00 3.03 0.00 0.00 57.50 57.94 1qn2 n TRP 57 Cb 0.52 -1.94 0.11 0.00 -1.03 0.00 0.00 31.31 28.97 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 5.55 0.55 -0.22 -0.99 5.68 -1.26 0.08 116.55 125.94 1qn2 n ASP 58 Ca 0.52 -1.59 -0.06 0.00 -0.50 0.00 0.00 54.79 53.16 1qn2 n ASP 58 Cb 0.28 -0.57 0.04 0.00 -1.14 0.00 0.00 41.12 39.73 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 0.82 -0.39 0.11 4.20 -1.99 -0.91 115.11 116.94 1qn2 h GLN 59 Ca -0.26 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 1qn2 h GLN 59 Cb 0.85 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1qn2 h GLN 59 CO 0.23 0.55 0.15 0.00 -0.67 0.00 0.00 178.83 179.10 1qn2 h ALA 60 N 1.22 0.51 -0.19 3.87 0.00 -1.95 -1.69 119.26 121.03 1qn2 h ALA 60 Ca 0.23 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1qn2 h ALA 60 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1qn2 h ALA 60 CO -0.05 0.12 -0.56 -0.44 0.00 0.00 0.00 179.25 178.33 1qn2 h ASP 61 N 0.49 0.66 -0.08 0.00 3.32 -1.82 -2.87 116.42 116.13 1qn2 h ASP 61 Ca 0.13 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 1qn2 h ASP 61 Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1qn2 h ASP 61 CO -0.01 1.08 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.43 1qn2 h LEU 62 N 0.45 0.34 -0.60 1.55 3.38 -1.05 -2.06 115.31 117.32 1qn2 h LEU 62 Ca 0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1qn2 h LEU 62 Cb 1.11 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1qn2 h LEU 62 CO 0.11 0.48 0.25 0.11 0.09 0.00 0.00 178.44 179.47 1qn2 h LYS 63 N 0.34 0.88 -0.53 1.13 1.57 -1.09 -1.29 116.57 117.59 1qn2 h LYS 63 Ca 0.07 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 1qn2 h LYS 63 Cb 0.38 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1qn2 h LYS 63 CO 0.02 0.74 -0.01 1.96 -0.57 0.00 0.00 179.45 181.59 1qn2 h GLN 64 N 0.82 0.95 0.34 3.15 4.20 -1.31 -2.25 115.11 121.01 1qn2 h GLN 64 Ca 0.20 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1qn2 h GLN 64 Cb 0.18 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1qn2 h GLN 64 CO -0.02 0.96 -0.25 2.35 -0.67 0.00 0.00 178.83 181.20 1qn2 h TRP 65 N 0.82 -0.67 0.00 2.96 2.91 -1.18 -2.16 115.95 118.63 1qn2 h TRP 65 Ca 0.15 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.14 1qn2 h TRP 65 Cb 0.54 0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.44 1qn2 h TRP 65 CO 0.04 -0.38 -0.13 -0.07 -1.03 0.00 0.00 178.44 176.86 1qn2 h LEU 66 N -0.59 0.00 -0.36 0.65 3.38 -1.22 -0.93 115.31 116.24 1qn2 h LEU 66 Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 1qn2 h LEU 66 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1qn2 h LEU 66 CO 0.00 0.13 -0.79 0.00 0.09 0.00 0.00 178.44 177.88 1qn2 h ALA 67 N 1.87 0.56 -0.72 1.53 0.00 -1.02 0.21 119.26 121.69 1qn2 h ALA 67 Ca -0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 1qn2 h ALA 67 Cb 0.33 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 17.89 1qn2 h ALA 67 CO 0.02 0.80 -0.35 0.34 0.00 0.00 0.00 179.25 180.06 1qn2 s ASP 68 N -6.98 -1.08 0.17 0.00 -1.08 -0.85 -3.35 116.67 103.51 1qn2 s ASP 68 Ca -0.05 -0.86 -0.15 0.00 -0.52 0.00 0.00 52.55 50.97 1qn2 s ASP 68 Cb 0.10 1.40 0.14 0.00 -1.46 0.00 0.00 42.92 43.10 1qn2 s ASP 68 CO 0.84 -0.09 1.70 -0.65 0.52 0.00 0.00 175.17 177.49 1qn2 h PRO 69 N 5.70 0.12 -0.42 4.34 0.11 -1.39 -0.68 132.00 139.78 1qn2 h PRO 69 Ca 0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 1qn2 h PRO 69 Cb 1.17 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1qn2 h PRO 69 CO 0.01 0.08 0.14 0.87 -0.21 0.00 0.00 178.00 178.89 1qn2 h LYS 70 N 0.12 0.60 -0.24 1.05 6.56 -1.87 0.98 116.57 123.77 1qn2 h LYS 70 Ca 0.22 -0.09 -0.17 0.00 -1.06 0.00 0.00 60.65 59.55 1qn2 h LYS 70 Cb 0.31 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 1qn2 h LYS 70 CO -0.35 0.51 -0.51 -0.22 -2.06 0.00 0.00 179.45 176.82 1qn2 h LYS 71 N 0.59 0.78 -0.26 3.15 3.64 -1.75 -2.71 116.57 120.00 1qn2 h LYS 71 Ca 0.14 -0.51 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1qn2 h LYS 71 Cb 0.16 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1qn2 h LYS 71 CO -0.01 1.13 0.06 -0.22 -2.27 0.00 0.00 179.45 178.14 1qn2 h LYS 72 N 0.52 0.43 -2.81 1.90 1.63 -0.62 -3.38 116.57 114.23 1qn2 h LYS 72 Ca 0.01 -0.11 -0.60 0.00 -0.85 0.00 0.00 60.65 59.10 1qn2 h LYS 72 Cb 1.12 -0.05 -0.40 0.00 -0.60 0.00 0.00 32.23 32.30 1qn2 h LYS 72 CO 0.11 0.53 -0.79 0.08 -3.45 0.00 0.00 179.45 175.94 1qn2 s VAL 73 N -5.24 0.98 0.15 2.00 1.01 0.29 -5.07 120.40 114.52 1qn2 s VAL 73 Ca -0.14 -2.37 -0.34 0.00 0.00 0.00 0.00 61.98 59.13 1qn2 s VAL 73 Cb 0.08 -1.69 -0.14 0.00 0.00 0.00 0.00 36.38 34.63 1qn2 s VAL 73 CO 0.74 -0.96 1.60 -2.65 0.00 0.00 0.00 175.10 173.83 1qn2 n PRO 74 N 3.57 2.19 0.00 2.72 -0.02 -1.02 -1.75 135.00 140.68 1qn2 n PRO 74 Ca 0.12 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1qn2 n PRO 74 Cb 0.36 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 3.49 0.22 3.75 -1.23 0.00 -1.26 -4.84 105.19 105.31 1qn2 n GLY 75 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 2.77 -2.20 2.61 -1.32 -0.72 -4.62 115.64 110.17 1qn2 s THR 76 Ca 0.00 0.37 0.19 0.00 -1.21 0.00 0.00 61.69 61.05 1qn2 s THR 76 Cb 0.00 -2.91 0.46 0.00 -1.51 0.00 0.00 72.50 68.54 1qn2 s THR 76 CO 0.00 -0.21 1.44 2.29 -2.21 0.00 0.00 174.62 175.92 1qn2 n LYS 77 N -2.55 2.21 -2.72 7.08 2.85 -1.26 -4.78 118.16 118.99 1qn2 n LYS 77 Ca 0.12 -1.86 -0.43 0.00 -1.05 0.00 0.00 58.31 55.09 1qn2 n LYS 77 Cb 0.51 -1.44 -0.03 0.00 -0.65 0.00 0.00 35.03 33.41 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 -1.45 3.45 -0.92 -1.58 1.75 -1.26 -4.92 119.30 114.37 1qn2 s MET 78 Ca 0.36 0.04 -0.17 0.00 -1.25 0.00 0.00 55.69 54.68 1qn2 s MET 78 Cb 0.20 -4.01 0.17 0.00 2.84 0.00 0.00 34.83 34.02 1qn2 s MET 78 CO 0.27 -1.52 1.03 0.08 -0.65 0.00 0.00 175.02 174.23 1qn2 s VAL 79 N 4.33 5.07 -0.23 10.11 1.01 -1.26 -4.83 120.40 134.60 1qn2 s VAL 79 Ca 0.37 -1.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.19 1qn2 s VAL 79 Cb -0.10 -4.68 0.06 0.00 0.00 0.00 0.00 36.38 31.67 1qn2 s VAL 79 CO 0.23 -1.35 0.59 0.12 0.00 0.00 0.00 175.10 174.70 1qn2 s PHE 80 N 1.68 -0.75 0.56 5.22 5.36 -1.26 -5.15 117.98 123.64 1qn2 s PHE 80 Ca 0.28 1.69 -0.20 0.00 -0.96 0.00 0.00 56.93 57.74 1qn2 s PHE 80 Cb -0.07 0.33 -0.05 0.00 -0.34 0.00 0.00 43.02 42.90 1qn2 s PHE 80 CO -0.09 -0.37 1.22 -2.14 -1.46 0.00 0.00 175.22 172.38 1qn2 s PRO 81 N 0.79 3.17 0.79 10.12 0.02 -1.26 -4.73 135.00 143.90 1qn2 s PRO 81 Ca -0.04 1.86 -0.11 0.00 0.02 0.00 0.00 61.00 62.74 1qn2 s PRO 81 Cb -0.05 -2.07 0.06 0.00 0.02 0.00 0.00 34.50 32.46 1qn2 s PRO 81 CO -0.06 -1.05 1.09 0.20 -0.33 0.00 0.00 177.00 176.84 1qn2 s GLY 82 N -1.46 1.64 -0.34 0.52 0.00 -1.26 -4.95 107.32 101.47 1qn2 s GLY 82 Ca 0.74 -0.04 -0.13 0.00 0.00 0.00 0.00 44.72 45.28 1qn2 s GLY 82 CO 0.35 0.35 0.27 -0.42 0.00 0.00 0.00 173.10 173.65 1qn2 s ILE 83 N -3.05 5.26 -1.14 0.90 1.01 0.75 -4.91 121.20 120.01 1qn2 s ILE 83 Ca 0.61 -0.16 0.28 0.00 0.00 0.00 0.00 60.65 61.38 1qn2 s ILE 83 Cb -0.15 -3.74 0.32 0.00 0.01 0.00 0.00 42.46 38.90 1qn2 s ILE 83 CO 0.55 -0.03 1.93 -1.54 0.00 0.00 0.00 174.94 175.85 1qn2 n SER 84 N 5.17 0.00 -4.41 3.58 3.41 -1.26 -4.22 113.62 115.89 1qn2 n SER 84 Ca -0.12 0.29 -0.44 0.00 -0.26 0.00 0.00 58.87 58.34 1qn2 n SER 84 Cb 0.50 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 1qn2 n SER 84 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qn2 s ASP 85 N -2.86 6.20 0.41 4.04 -1.08 -1.26 -4.93 116.67 117.20 1qn2 s ASP 85 Ca 0.18 -1.17 0.15 0.00 -0.52 0.00 0.00 52.55 51.19 1qn2 s ASP 85 Cb 0.19 -2.27 1.03 0.00 -1.46 0.00 0.00 42.92 40.41 1qn2 s ASP 85 CO 0.48 -0.90 1.89 -0.65 0.52 0.00 0.00 175.17 176.51 1qn2 h PRO 86 N 9.00 0.44 -0.14 4.34 0.11 -2.00 -1.39 132.00 142.36 1qn2 h PRO 86 Ca -0.28 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 1qn2 h PRO 86 Cb 1.10 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1qn2 h PRO 86 CO 0.99 0.29 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.84 1qn2 h LYS 87 N 0.45 0.25 -0.95 1.05 3.64 -1.98 -1.90 116.57 117.14 1qn2 h LYS 87 Ca 0.42 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.76 1qn2 h LYS 87 Cb 0.95 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 1qn2 h LYS 87 CO -0.15 0.51 0.61 -0.22 -2.27 0.00 0.00 179.45 177.93 1qn2 h LYS 88 N -0.03 1.11 -0.67 1.90 3.64 -1.72 -0.13 116.57 120.66 1qn2 h LYS 88 Ca 0.04 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1qn2 h LYS 88 Cb 0.41 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1qn2 h LYS 88 CO 0.01 0.73 0.42 0.28 -2.27 0.00 0.00 179.45 178.62 1qn2 h VAL 89 N 1.14 1.19 -0.57 2.00 2.07 -1.09 0.12 116.25 121.11 1qn2 h VAL 89 Ca 0.40 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1qn2 h VAL 89 Cb 0.10 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1qn2 h VAL 89 CO -0.15 0.19 0.03 0.44 0.02 0.00 0.00 177.57 178.09 1qn2 h ASP 90 N 0.91 0.96 -0.35 0.57 3.32 -0.51 -1.48 116.42 119.85 1qn2 h ASP 90 Ca 0.24 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1qn2 h ASP 90 Cb -0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1qn2 h ASP 90 CO -0.05 1.02 0.11 0.44 -1.72 0.00 0.00 179.24 179.04 1qn2 h ASP 91 N 0.87 0.51 -0.92 6.45 3.32 -0.59 -0.13 116.42 125.92 1qn2 h ASP 91 Ca 0.16 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1qn2 h ASP 91 Cb 0.51 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1qn2 h ASP 91 CO 0.02 0.57 0.61 0.40 -1.72 0.00 0.00 179.24 179.13 1qn2 h ILE 92 N 0.41 1.24 -0.39 0.35 2.04 -0.58 -0.25 117.51 120.32 1qn2 h ILE 92 Ca 0.11 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1qn2 h ILE 92 Cb 0.25 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1qn2 h ILE 92 CO -0.00 0.23 0.07 0.40 0.00 0.00 0.00 178.15 178.84 1qn2 h ILE 93 N 1.25 1.19 -0.43 -0.67 2.04 -0.94 0.19 117.51 120.13 1qn2 h ILE 93 Ca 0.34 -0.71 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 1qn2 h ILE 93 Cb -0.14 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1qn2 h ILE 93 CO -0.07 0.25 -0.20 0.00 0.00 0.00 0.00 178.15 178.13 1qn2 h ALA 94 N 1.50 0.84 -0.49 1.87 0.00 0.11 -1.61 119.26 121.47 1qn2 h ALA 94 Ca 0.13 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1qn2 h ALA 94 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1qn2 h ALA 94 CO 0.00 0.64 0.12 -0.92 0.00 0.00 0.00 179.25 179.09 1qn2 h TYR 95 N 0.74 0.82 -0.71 0.00 3.20 -0.19 -2.76 116.97 118.08 1qn2 h TYR 95 Ca 0.10 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1qn2 h TYR 95 Cb 0.73 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 1qn2 h TYR 95 CO 0.04 0.73 0.46 -0.07 -1.64 0.00 0.00 178.16 177.68 1qn2 h LEU 96 N 0.67 0.83 -1.61 2.82 3.38 -0.34 -1.70 115.31 119.35 1qn2 h LEU 96 Ca 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1qn2 h LEU 96 Cb 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1qn2 h LEU 96 CO 0.00 0.61 0.10 0.11 0.09 0.00 0.00 178.44 179.35 1qn2 h LYS 97 N 0.97 0.35 0.00 1.13 1.57 -1.01 -0.27 116.57 119.31 1qn2 h LYS 97 Ca 0.26 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1qn2 h LYS 97 Cb -0.09 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1qn2 h LYS 97 CO -0.05 0.30 0.00 0.25 -0.57 0.00 0.00 179.45 179.37 1qn2 n THR 98 N -4.43 0.07 0.04 -0.16 -2.24 -0.64 -5.06 114.28 101.86 1qn2 n THR 98 Ca 0.01 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1qn2 n THR 98 Cb 0.13 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 1qn2 n THR 98 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79