#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6m h LEU 11 N 0.00 0.38 -0.65 -0.89 3.38 -2.08 -3.28 115.31 112.17 2k6m h LEU 11 Ca 0.00 -0.72 -0.14 0.00 0.09 0.00 0.00 57.88 57.10 2k6m h LEU 11 Cb 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2k6m h LEU 11 CO 0.00 1.05 -0.66 0.00 0.09 0.00 0.00 178.44 178.92 2k6m h ALA 12 N 0.34 0.87 -2.28 1.53 0.00 -2.15 -3.43 119.26 114.13 2k6m h ALA 12 Ca -0.04 -0.59 -0.55 0.00 0.00 0.00 0.00 54.91 53.72 2k6m h ALA 12 Cb 1.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2k6m h ALA 12 CO 0.08 0.80 0.74 0.15 0.00 0.00 0.00 179.25 181.02 2k6m s LYS 13 N -3.56 4.33 -0.14 0.00 -0.14 -1.24 -5.02 119.74 113.96 2k6m s LYS 13 Ca -0.02 1.68 0.01 0.00 -1.36 0.00 0.00 55.97 56.27 2k6m s LYS 13 Cb 0.12 -3.60 -0.00 0.00 -1.68 0.00 0.00 37.83 32.67 2k6m s LYS 13 CO 0.78 -0.50 -0.16 -0.51 -0.76 0.00 0.00 175.35 174.20 2k6m s LEU 14 N 2.46 2.47 -0.05 3.17 1.43 -1.26 -4.76 118.68 122.14 2k6m s LEU 14 Ca 0.56 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2k6m s LEU 14 Cb -0.24 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.45 2k6m s LEU 14 CO 0.21 0.11 -0.01 0.00 0.23 0.00 0.00 176.35 176.88 2k6m s LYS 16 N 1.39 0.66 0.18 0.00 3.01 -1.26 -5.14 119.74 118.58 2k6m s LYS 16 Ca -0.04 -0.13 0.07 0.00 -1.01 0.00 0.00 55.97 54.87 2k6m s LYS 16 Cb -0.13 -1.48 -0.04 0.00 -1.01 0.00 0.00 37.83 35.16 2k6m s LYS 16 CO -0.02 -0.45 -0.15 -0.08 0.51 0.00 0.00 175.35 175.16 2k6m s THR 17 N 1.92 1.67 -0.04 2.17 -1.32 -1.26 -5.13 115.64 113.64 2k6m s THR 17 Ca 0.03 -2.07 -0.20 0.00 -1.21 0.00 0.00 61.69 58.24 2k6m s THR 17 Cb -0.14 -1.92 -0.05 0.00 -1.51 0.00 0.00 72.50 68.88 2k6m s THR 17 CO -0.07 -0.52 0.57 -0.63 -2.21 0.00 0.00 174.62 171.77 2k6m s ILE 18 N -2.67 4.99 -0.11 5.08 1.09 -1.26 -4.90 121.20 123.43 2k6m s ILE 18 Ca 0.19 1.19 -0.11 0.00 -1.10 0.00 0.00 60.65 60.82 2k6m s ILE 18 Cb -0.02 -3.91 -0.05 0.00 -1.06 0.00 0.00 42.46 37.42 2k6m s ILE 18 CO 0.06 0.39 0.24 -0.31 -0.10 0.00 0.00 174.94 175.21 2k6m s TYR 19 N 0.06 3.58 -0.29 3.97 2.02 -0.95 -5.02 117.35 120.73 2k6m s TYR 19 Ca 0.30 0.63 -0.40 0.00 -0.37 0.00 0.00 57.07 57.23 2k6m s TYR 19 Cb -0.17 -2.14 -0.15 0.00 -0.40 0.00 0.00 41.96 39.10 2k6m s TYR 19 CO 0.16 0.55 1.79 -0.35 -1.57 0.00 0.00 175.55 176.13 2k6m n PRO 20 N 2.47 1.14 -0.33 -1.71 -0.04 -1.26 -4.82 135.00 130.46 2k6m n PRO 20 Ca -0.16 0.41 0.18 0.00 -0.04 0.00 0.00 63.50 63.89 2k6m n PRO 20 Cb 0.53 -2.12 0.39 0.00 -0.04 0.00 0.00 33.50 32.26 2k6m n PRO 20 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2k6m h LEU 21 N 7.60 0.48 0.63 1.53 8.10 -1.94 -1.58 115.31 130.13 2k6m h LEU 21 Ca -0.45 0.16 -0.03 0.00 0.11 0.00 0.00 57.88 57.68 2k6m h LEU 21 Cb 1.32 0.11 0.01 0.00 -0.44 0.00 0.00 40.66 41.66 2k6m h LEU 21 CO 0.97 -0.02 -0.30 0.00 -4.11 0.00 0.00 178.44 174.97 2k6m h ALA 22 N 1.77 -0.85 0.00 0.17 0.00 -1.96 1.44 119.26 119.83 2k6m h ALA 22 Ca 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2k6m h ALA 22 Cb 1.33 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2k6m h ALA 22 CO -0.55 -0.91 0.52 -0.44 0.00 0.00 0.00 179.25 177.88 2k6m h ASP 23 N -0.99 0.00 0.00 0.00 5.19 -1.63 -0.32 116.42 118.67 2k6m h ASP 23 Ca -0.09 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.28 2k6m h ASP 23 Cb 0.69 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 2k6m h ASP 23 CO 0.14 0.00 -1.29 0.00 -3.12 0.00 0.00 179.24 174.97 2k6m n LEU 24 N -2.65 0.00 0.00 1.55 -0.00 -1.00 -3.19 117.00 111.71 2k6m n LEU 24 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.06 2k6m n LEU 24 Cb 0.55 0.06 0.27 0.00 -0.00 0.00 0.00 43.42 44.30 2k6m n LEU 24 CO 0.08 0.06 0.69 -0.11 -0.00 0.00 0.00 177.39 178.12 2k6m n LEU 25 N -1.94 0.00 0.00 1.47 7.94 0.49 -4.26 117.00 120.70 2k6m n LEU 25 Ca -0.05 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2k6m n LEU 25 Cb 0.41 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 43.88 2k6m n LEU 25 CO 0.11 -0.28 0.00 0.00 -1.11 0.00 0.00 177.39 176.11 2k6m n ALA 26 N -1.48 0.00 -3.27 1.96 0.00 -1.07 -5.04 120.51 111.62 2k6m n ALA 26 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2k6m n ALA 26 Cb 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.49 2k6m n ALA 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k6m s ARG 27 N 0.00 0.54 -0.38 0.00 3.00 -1.19 -4.98 118.95 115.93 2k6m s ARG 27 Ca 0.00 0.30 -0.05 0.00 -1.00 0.00 0.00 55.73 54.97 2k6m s ARG 27 Cb 0.00 0.25 -0.12 0.00 0.00 0.00 0.00 34.95 35.09 2k6m s ARG 27 CO 0.00 -0.10 1.45 -2.30 0.00 0.00 0.00 175.30 174.35 2k6m n PRO 28 N 2.31 0.03 -2.24 5.12 -0.02 -1.26 -4.13 135.00 134.80 2k6m n PRO 28 Ca -0.16 -0.15 -0.32 0.00 -2.02 0.00 0.00 63.50 60.85 2k6m n PRO 28 Cb 0.57 -1.31 -0.02 0.00 -0.02 0.00 0.00 33.50 32.72 2k6m n PRO 28 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2k6m s LEU 29 N 1.78 3.52 0.00 2.45 0.05 -1.21 -4.97 118.68 120.31 2k6m s LEU 29 Ca 0.46 1.56 0.00 0.00 0.05 0.00 0.00 54.13 56.20 2k6m s LEU 29 Cb -0.24 -4.50 0.00 0.00 -2.05 0.00 0.00 46.19 39.39 2k6m s LEU 29 CO 0.18 -0.71 0.00 -0.81 -0.55 0.00 0.00 176.35 174.45 2k6m n PRO 30 N -1.90 0.44 -0.09 1.48 -0.04 -1.26 -5.01 135.00 128.63 2k6m n PRO 30 Ca 0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 2k6m n PRO 30 Cb 0.54 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.87 2k6m n PRO 30 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k6m n GLU 31 N -0.41 0.68 -0.21 0.54 2.13 -1.26 -4.09 120.64 118.02 2k6m n GLU 31 Ca 0.00 0.16 0.31 0.00 0.66 0.00 0.00 57.16 58.29 2k6m n GLU 31 Cb 0.00 -1.58 0.70 0.00 0.27 0.00 0.00 31.44 30.84 2k6m n GLU 31 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2k6m h GLY 32 N 2.22 0.00 -6.84 8.31 0.00 -1.98 -3.33 103.07 101.46 2k6m h GLY 32 Ca -0.52 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.24 2k6m h GLY 32 CO -0.02 0.00 1.07 0.14 0.00 0.00 0.00 176.54 177.73 2k6m s VAL 33 N -4.77 3.90 0.16 4.60 1.01 -1.26 -4.89 120.40 119.15 2k6m s VAL 33 Ca -0.04 0.89 -0.21 0.00 0.00 0.00 0.00 61.98 62.62 2k6m s VAL 33 Cb 0.20 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 2k6m s VAL 33 CO 0.69 -0.85 0.68 -1.81 0.00 0.00 0.00 175.10 173.80 2k6m s ASP 34 N 3.97 7.13 -0.06 3.32 1.01 -1.25 -4.91 116.67 125.88 2k6m s ASP 34 Ca 0.59 1.40 -0.18 0.00 0.71 0.00 0.00 52.55 55.07 2k6m s ASP 34 Cb -0.13 -2.41 -0.30 0.00 1.01 0.00 0.00 42.92 41.09 2k6m s ASP 34 CO 0.31 0.16 0.76 1.55 0.21 0.00 0.00 175.17 178.16 2k6m h PRO 35 N 4.01 0.32 0.00 8.23 0.13 -1.94 -3.18 132.00 139.56 2k6m h PRO 35 Ca -0.48 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.11 2k6m h PRO 35 Cb 1.20 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2k6m h PRO 35 CO 0.65 1.26 0.00 1.47 -0.23 0.00 0.00 178.00 181.15 2k6m n LEU 36 N -3.96 0.00 -3.14 1.56 -0.00 -1.26 -4.33 117.00 105.87 2k6m n LEU 36 Ca -0.19 0.14 -0.02 0.00 -0.00 0.00 0.00 56.01 55.93 2k6m n LEU 36 Cb 0.91 -0.14 -0.01 0.00 -0.00 0.00 0.00 43.42 44.18 2k6m n LEU 36 CO 0.47 -0.01 0.06 -1.59 -0.00 0.00 0.00 177.39 176.33 2k6m s LYS 37 N -2.27 0.86 -0.17 1.47 -2.85 -1.25 -5.05 119.74 110.48 2k6m s LYS 37 Ca 0.36 -0.51 -0.18 0.00 -1.00 0.00 0.00 55.97 54.63 2k6m s LYS 37 Cb 0.20 -0.04 -0.15 0.00 -2.06 0.00 0.00 37.83 35.78 2k6m s LYS 37 CO 0.39 -1.22 0.21 -0.07 0.10 0.00 0.00 175.35 174.75 2k6m h LEU 38 N 6.58 0.00 -1.94 2.77 4.07 -1.71 -3.35 115.31 121.73 2k6m h LEU 38 Ca 0.06 -0.44 0.53 0.00 0.08 0.00 0.00 57.88 58.10 2k6m h LEU 38 Cb 1.15 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.82 2k6m h LEU 38 CO 0.10 1.16 1.35 1.05 -1.08 0.00 0.00 178.44 181.01 2k6m h GLU 39 N -1.00 0.00 0.00 1.13 4.11 -1.90 0.89 114.58 117.81 2k6m h GLU 39 Ca -0.18 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.17 2k6m h GLU 39 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2k6m h GLU 39 CO -0.11 0.00 -0.37 0.97 0.07 0.00 0.00 179.01 179.57 2k6m h ILE 40 N 0.00 1.24 -0.23 -1.06 -0.00 -1.96 -2.77 117.51 112.72 2k6m h ILE 40 Ca 0.87 -1.30 0.00 0.00 -0.00 0.00 0.00 64.86 64.43 2k6m h ILE 40 Cb 3.55 1.71 0.00 0.00 -0.00 0.00 0.00 36.82 42.07 2k6m h ILE 40 CO -0.01 0.37 0.00 0.00 -0.00 0.00 0.00 178.15 178.51 2k6m n TYR 41 N -4.04 0.30 -4.51 2.19 0.18 0.31 -4.80 117.16 106.78 2k6m n TYR 41 Ca -0.02 -0.15 -0.26 0.00 1.88 0.00 0.00 57.90 59.35 2k6m n TYR 41 Cb 0.41 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.21 2k6m n TYR 41 CO 0.00 0.00 0.00 -0.48 -2.08 0.00 0.00 176.86 174.30 2k6m s LEU 42 N -1.02 1.64 0.00 -3.48 0.05 -1.05 -2.23 118.68 112.58 2k6m s LEU 42 Ca 0.16 -0.35 -0.01 0.00 0.05 0.00 0.00 54.13 53.98 2k6m s LEU 42 Cb 0.08 -0.93 0.02 0.00 -2.05 0.00 0.00 46.19 43.31 2k6m s LEU 42 CO 0.11 0.02 0.05 0.35 -0.55 0.00 0.00 176.35 176.33 2k6m n THR 43 N 4.03 0.00 -0.04 5.48 -2.24 -1.26 -4.36 114.28 115.89 2k6m n THR 43 Ca -0.20 -0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.51 2k6m n THR 43 Cb 0.51 -0.45 0.14 0.00 -2.10 0.00 0.00 70.33 68.44 2k6m n THR 43 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2k6m h ASP 44 N -1.68 0.65 0.26 3.42 2.03 -1.96 1.18 116.42 120.32 2k6m h ASP 44 Ca -0.02 -0.22 -0.01 0.00 -0.73 0.00 0.00 57.03 56.04 2k6m h ASP 44 Cb 0.07 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.40 2k6m h ASP 44 CO 0.01 0.86 -0.13 -0.33 -1.03 0.00 0.00 179.24 178.63 2k6m h GLU 45 N 0.57 -0.34 -0.36 4.15 4.39 -1.90 1.51 114.58 122.59 2k6m h GLU 45 Ca 0.08 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 2k6m h GLU 45 Cb 0.69 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2k6m h GLU 45 CO 0.05 -0.06 -0.05 0.22 -1.16 0.00 0.00 179.01 178.01 2k6m h ASP 46 N -0.60 0.55 -0.34 1.42 1.82 -1.86 -1.98 116.42 115.44 2k6m h ASP 46 Ca -0.04 -0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.47 2k6m h ASP 46 Cb 0.43 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.28 2k6m h ASP 46 CO 0.06 0.65 0.17 -0.26 -1.61 0.00 0.00 179.24 178.25 2k6m h PHE 47 N 0.54 0.49 -0.02 0.28 0.04 0.18 0.37 116.94 118.82 2k6m h PHE 47 Ca 0.11 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.88 2k6m h PHE 47 Cb 0.42 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 2k6m h PHE 47 CO 0.02 0.42 -0.12 0.93 -0.60 0.00 0.00 178.31 178.95 2k6m h GLU 48 N 0.42 -0.18 0.00 1.51 5.08 0.28 1.47 114.58 123.15 2k6m h GLU 48 Ca 0.12 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2k6m h GLU 48 Cb 0.11 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2k6m h GLU 48 CO -0.02 -0.12 0.00 0.34 -1.00 0.00 0.00 179.01 178.21 2k6m n PHE 49 N -5.25 0.47 -0.09 4.33 7.35 -0.81 -1.67 117.46 121.80 2k6m n PHE 49 Ca -0.05 0.14 -0.09 0.00 -0.76 0.00 0.00 57.45 56.69 2k6m n PHE 49 Cb 0.17 -0.72 -0.03 0.00 0.35 0.00 0.00 39.48 39.25 2k6m n PHE 49 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k6m n ALA 50 N -1.64 0.87 0.46 3.13 0.00 0.13 -4.78 120.51 118.67 2k6m n ALA 50 Ca 0.06 -0.80 0.05 0.00 0.00 0.00 0.00 53.44 52.75 2k6m n ALA 50 Cb 0.38 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 2k6m n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k6m n LEU 51 N -4.41 0.94 -0.33 0.00 4.77 0.42 -4.74 117.00 113.63 2k6m n LEU 51 Ca -0.14 -0.67 -0.04 0.00 -0.03 0.00 0.00 56.01 55.13 2k6m n LEU 51 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2k6m n LEU 51 CO 0.20 0.20 -0.04 0.47 -1.33 0.00 0.00 177.39 176.89 2k6m n ASP 52 N -0.62 -4.71 -0.03 -1.43 8.00 0.35 -4.94 116.55 113.18 2k6m n ASP 52 Ca 0.03 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2k6m n ASP 52 Cb 0.19 -2.60 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 2k6m n ASP 52 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2k6m n MET 53 N -1.29 3.13 -4.16 -1.24 1.56 -1.19 -4.81 117.12 109.10 2k6m n MET 53 Ca -0.04 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.25 2k6m n MET 53 Cb 0.34 0.00 -0.11 0.00 2.15 0.00 0.00 33.22 35.60 2k6m n MET 53 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2k6m s THR 54 N 0.55 0.89 0.57 1.12 -4.23 -1.26 -3.25 115.64 110.03 2k6m s THR 54 Ca 0.00 -1.61 0.26 0.00 -1.18 0.00 0.00 61.69 59.16 2k6m s THR 54 Cb 0.00 -1.31 0.34 0.00 1.34 0.00 0.00 72.50 72.86 2k6m s THR 54 CO 0.00 -0.56 2.20 -0.09 -0.54 0.00 0.00 174.62 175.63 2k6m h ARG 55 N 3.61 0.00 -0.00 3.99 2.43 -1.84 0.28 114.38 122.85 2k6m h ARG 55 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2k6m h ARG 55 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2k6m h ARG 55 CO 0.52 0.00 -0.55 -0.25 -1.51 0.00 0.00 179.97 178.19 2k6m n ASP 56 N -4.03 0.71 -0.10 -3.80 9.92 -1.26 -2.29 116.55 115.70 2k6m n ASP 56 Ca -0.02 -0.51 -0.19 0.00 -0.53 0.00 0.00 54.79 53.54 2k6m n ASP 56 Cb 0.13 0.37 -0.09 0.00 -0.64 0.00 0.00 41.12 40.89 2k6m n ASP 56 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2k6m n GLU 57 N -1.32 0.54 0.17 -1.24 0.00 0.72 -4.18 120.64 115.33 2k6m n GLU 57 Ca 0.06 0.50 0.02 0.00 0.00 0.00 0.00 57.16 57.74 2k6m n GLU 57 Cb 0.34 -1.68 0.34 0.00 0.00 0.00 0.00 31.44 30.44 2k6m n GLU 57 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 2k6m h TYR 58 N -1.00 0.06 -0.93 4.31 -1.99 -1.00 -0.84 116.97 115.58 2k6m h TYR 58 Ca -0.31 -0.01 0.25 0.00 2.00 0.00 0.00 58.73 60.66 2k6m h TYR 58 Cb 1.17 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.83 2k6m h TYR 58 CO -0.03 0.41 0.65 -0.91 -0.00 0.00 0.00 178.16 178.28 2k6m h ASN 59 N 0.04 0.14 0.00 3.88 -0.26 -1.62 -2.58 115.58 115.19 2k6m h ASN 59 Ca 0.00 0.02 -0.23 0.00 -0.56 0.00 0.00 56.30 55.53 2k6m h ASN 59 Cb 0.66 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.87 2k6m h ASN 59 CO 0.05 0.05 -1.86 0.00 -1.06 0.00 0.00 177.43 174.61 2k6m n ALA 60 N -2.65 1.69 -0.67 -0.83 0.00 -1.02 -5.02 120.51 112.01 2k6m n ALA 60 Ca 0.20 -0.79 -0.30 0.00 0.00 0.00 0.00 53.44 52.55 2k6m n ALA 60 Cb 0.91 0.02 0.18 0.00 0.00 0.00 0.00 19.45 20.56 2k6m n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k6m s LEU 61 N -5.12 2.38 0.94 0.00 1.43 -0.35 -4.94 118.68 113.02 2k6m s LEU 61 Ca -0.09 2.03 -0.14 0.00 -1.03 0.00 0.00 54.13 54.89 2k6m s LEU 61 Cb 0.04 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 41.92 2k6m s LEU 61 CO 0.48 -3.35 0.04 -0.81 0.23 0.00 0.00 176.35 172.94 2k6m n PRO 62 N -4.38 -0.14 0.10 1.29 -0.04 -1.26 -4.86 135.00 125.70 2k6m n PRO 62 Ca 0.10 -0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 2k6m n PRO 62 Cb 0.53 -1.58 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 2k6m n PRO 62 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k6m h ALA 63 N -1.25 0.62 0.05 0.55 0.00 -1.92 -2.95 119.26 114.37 2k6m h ALA 63 Ca -0.44 -0.33 -0.29 0.00 0.00 0.00 0.00 54.91 53.85 2k6m h ALA 63 Cb 1.30 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2k6m h ALA 63 CO 0.32 0.37 -1.57 -2.67 0.00 0.00 0.00 179.25 175.70 2k6m n TRP 64 N -2.85 1.10 -0.25 0.00 4.27 -1.26 -2.80 117.44 115.65 2k6m n TRP 64 Ca -0.03 0.37 -0.06 0.00 -3.89 0.00 0.00 57.50 53.89 2k6m n TRP 64 Cb 0.66 -1.12 0.05 0.00 -1.36 0.00 0.00 31.31 29.54 2k6m n TRP 64 CO 0.00 0.00 0.00 -0.22 -2.29 0.00 0.00 177.69 175.18 2k6m h LYS 65 N -0.59 0.97 -0.77 -2.67 3.64 -1.96 2.11 116.57 117.32 2k6m h LYS 65 Ca -0.39 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 2k6m h LYS 65 Cb 1.59 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 33.20 2k6m h LYS 65 CO -0.10 0.75 0.34 -0.56 -2.27 0.00 0.00 179.45 177.61 2k6m h GLN 66 N 0.95 1.12 -0.40 1.90 3.07 -1.68 -1.61 115.11 118.46 2k6m h GLN 66 Ca 0.24 -0.18 -0.16 0.00 0.09 0.00 0.00 58.65 58.64 2k6m h GLN 66 Cb 0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 27.48 27.44 2k6m h GLN 66 CO -0.03 0.89 -0.37 0.28 0.09 0.00 0.00 178.83 179.68 2k6m h VAL 67 N 1.10 1.27 -0.93 1.86 2.07 -1.05 -2.82 116.25 117.76 2k6m h VAL 67 Ca 0.26 -1.54 0.16 0.00 0.82 0.00 0.00 66.70 66.39 2k6m h VAL 67 Cb 0.16 1.35 -0.16 0.00 -1.52 0.00 0.00 31.29 31.12 2k6m h VAL 67 CO -0.03 0.52 -0.34 -1.13 0.02 0.00 0.00 177.57 176.61 2k6m h ASN 68 N 0.78 -1.25 1.08 0.57 -1.24 0.44 0.64 115.58 116.61 2k6m h ASN 68 Ca 0.07 0.29 -0.10 0.00 0.71 0.00 0.00 56.30 57.27 2k6m h ASN 68 Cb 0.97 0.69 -0.01 0.00 0.73 0.00 0.00 38.32 40.69 2k6m h ASN 68 CO 0.09 -0.30 -0.47 0.25 -1.29 0.00 0.00 177.43 175.71 2k6m h LEU 69 N -0.02 0.00 0.20 0.34 5.85 -1.52 -3.11 115.31 117.05 2k6m h LEU 69 Ca 0.36 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 2k6m h LEU 69 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2k6m h LEU 69 CO -0.94 0.47 -0.10 0.50 -0.34 0.00 0.00 178.44 178.03 2k6m h LYS 70 N 0.00 -0.27 -0.36 1.25 3.64 0.43 -2.77 116.57 118.50 2k6m h LYS 70 Ca -0.00 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2k6m h LYS 70 Cb 1.14 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 2k6m h LYS 70 CO 0.06 -0.08 0.07 0.87 -2.27 0.00 0.00 179.45 178.11 2k6m h LYS 71 N -0.40 0.19 -0.49 1.90 1.57 -0.92 -0.37 116.57 118.04 2k6m h LYS 71 Ca -0.03 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.88 2k6m h LYS 71 Cb 0.31 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2k6m h LYS 71 CO 0.05 0.13 0.52 0.00 -0.57 0.00 0.00 179.45 179.57 2k6m h ALA 72 N 1.27 2.23 0.00 3.86 0.00 -1.45 0.68 119.26 125.84 2k6m h ALA 72 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k6m h ALA 72 Cb 0.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2k6m h ALA 72 CO -0.22 -0.77 -0.96 -0.22 0.00 0.00 0.00 179.25 177.08 2k6m h LYS 73 N 0.00 0.00 0.00 0.00 1.63 -0.81 -3.48 116.57 113.92 2k6m h LYS 73 Ca 0.23 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2k6m h LYS 73 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2k6m h LYS 73 CO -0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 2k6m n GLY 74 N 1.19 0.81 0.01 5.01 0.00 0.24 -4.99 105.19 107.46 2k6m n GLY 74 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 2k6m n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k6m n LEU 75 N 0.00 0.27 0.00 0.99 4.77 -0.86 -4.94 117.00 117.23 2k6m n LEU 75 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2k6m n LEU 75 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 2k6m n LEU 75 CO 0.00 -0.49 0.00 2.22 -1.33 0.00 0.00 177.39 177.79