#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k39 s GLN 2 N 0.00 4.22 0.32 3.17 0.74 -1.26 -2.10 119.66 124.75 2k39 s GLN 2 Ca 0.00 0.52 0.06 0.00 0.05 0.00 0.00 55.36 55.99 2k39 s GLN 2 Cb 0.00 -3.34 -0.06 0.00 1.10 0.00 0.00 33.01 30.70 2k39 s GLN 2 CO 0.00 0.38 -0.01 0.96 -0.55 0.00 0.00 175.29 176.08 2k39 s ILE 3 N -0.14 1.58 -0.01 -2.34 -4.36 0.35 -0.16 121.20 116.11 2k39 s ILE 3 Ca 0.27 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 2k39 s ILE 3 Cb -0.17 -2.68 -0.04 0.00 1.25 0.00 0.00 42.46 40.83 2k39 s ILE 3 CO 0.13 -0.14 0.03 -0.36 0.24 0.00 0.00 174.94 174.85 2k39 s PHE 4 N -3.03 3.17 -0.29 1.37 0.08 -1.01 -1.22 117.98 117.06 2k39 s PHE 4 Ca 0.33 0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.54 2k39 s PHE 4 Cb 0.07 -1.71 0.06 0.00 -0.57 0.00 0.00 43.02 40.87 2k39 s PHE 4 CO 0.14 0.50 -0.05 0.08 -0.10 0.00 0.00 175.22 175.79 2k39 s VAL 5 N -1.10 2.43 -0.02 -0.44 1.01 -0.64 -2.44 120.40 119.20 2k39 s VAL 5 Ca 0.20 -1.68 -0.24 0.00 0.00 0.00 0.00 61.98 60.26 2k39 s VAL 5 Cb -0.12 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 2k39 s VAL 5 CO 0.11 -0.15 0.71 -0.75 0.00 0.00 0.00 175.10 175.02 2k39 s LYS 6 N 1.11 4.44 0.26 2.72 2.20 0.73 -1.88 119.74 129.33 2k39 s LYS 6 Ca -0.05 0.93 0.03 0.00 -0.36 0.00 0.00 55.97 56.52 2k39 s LYS 6 Cb -0.20 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 2k39 s LYS 6 CO -0.04 0.19 0.41 0.95 -0.36 0.00 0.00 175.35 176.50 2k39 s THR 7 N 0.35 5.21 0.17 3.43 -4.23 -0.04 -0.53 115.64 120.00 2k39 s THR 7 Ca 0.37 -0.76 -0.14 0.00 -1.18 0.00 0.00 61.69 59.98 2k39 s THR 7 Cb -0.19 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 69.86 2k39 s THR 7 CO 0.20 -0.37 1.81 0.25 -0.54 0.00 0.00 174.62 175.97 2k39 h LEU 8 N 1.18 0.45 0.00 4.79 5.85 -1.75 -2.69 115.31 123.14 2k39 h LEU 8 Ca -0.51 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2k39 h LEU 8 Cb 1.22 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2k39 h LEU 8 CO 0.62 0.32 0.00 0.35 -0.34 0.00 0.00 178.44 179.39 2k39 n THR 9 N -4.83 0.00 0.00 1.05 -2.24 -1.26 -4.93 114.28 102.08 2k39 n THR 9 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2k39 n THR 9 Cb 0.07 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 2k39 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k39 n GLY 10 N 0.29 0.33 3.82 3.38 0.00 -1.02 -5.07 105.19 106.93 2k39 n GLY 10 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2k39 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 11 N -0.80 4.12 -0.16 1.61 2.20 -1.26 -4.84 119.74 120.61 2k39 s LYS 11 Ca 0.00 1.14 -0.05 0.00 -0.36 0.00 0.00 55.97 56.69 2k39 s LYS 11 Cb 0.00 -2.16 -0.04 0.00 -1.51 0.00 0.00 37.83 34.13 2k39 s LYS 11 CO 0.00 -0.13 0.02 0.95 -0.36 0.00 0.00 175.35 175.83 2k39 s THR 12 N -2.21 4.44 0.29 3.43 -4.23 -1.26 -0.86 115.64 115.24 2k39 s THR 12 Ca 0.62 -0.17 0.07 0.00 -1.18 0.00 0.00 61.69 61.04 2k39 s THR 12 Cb -0.10 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 2k39 s THR 12 CO 0.17 0.49 0.30 0.27 -0.54 0.00 0.00 174.62 175.31 2k39 s ILE 13 N 0.18 4.15 -0.24 2.99 -4.36 -0.79 -4.99 121.20 118.15 2k39 s ILE 13 Ca 0.02 -1.27 0.02 0.00 -0.26 0.00 0.00 60.65 59.15 2k39 s ILE 13 Cb -0.13 -3.38 0.06 0.00 1.25 0.00 0.00 42.46 40.26 2k39 s ILE 13 CO 0.01 -0.25 -0.08 -0.89 0.24 0.00 0.00 174.94 173.98 2k39 s THR 14 N -2.18 1.77 -0.11 8.37 2.01 -1.26 -1.63 115.64 122.61 2k39 s THR 14 Ca 0.38 -1.36 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 2k39 s THR 14 Cb -0.07 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2k39 s THR 14 CO 0.27 -0.06 0.05 -0.76 -0.69 0.00 0.00 174.62 173.43 2k39 s LEU 15 N 1.29 3.85 -0.01 4.42 2.01 -0.35 -4.98 118.68 124.91 2k39 s LEU 15 Ca -0.07 0.24 -0.19 0.00 0.01 0.00 0.00 54.13 54.12 2k39 s LEU 15 Cb -0.19 -1.91 -0.05 0.00 0.01 0.00 0.00 46.19 44.04 2k39 s LEU 15 CO -0.06 0.37 0.54 -1.83 1.01 0.00 0.00 176.35 176.38 2k39 s GLU 16 N -0.80 4.24 -0.02 1.70 1.03 -1.26 -0.50 118.70 123.09 2k39 s GLU 16 Ca 0.13 0.63 -0.16 0.00 0.03 0.00 0.00 54.97 55.60 2k39 s GLU 16 Cb -0.12 -3.32 0.03 0.00 -0.80 0.00 0.00 34.13 29.92 2k39 s GLU 16 CO 0.03 0.43 0.34 0.14 -1.33 0.00 0.00 175.26 174.87 2k39 s VAL 17 N -0.36 0.05 -0.08 1.83 -7.23 -0.89 -4.97 120.40 108.75 2k39 s VAL 17 Ca 0.29 -0.41 -0.04 0.00 -1.81 0.00 0.00 61.98 60.00 2k39 s VAL 17 Cb -0.18 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 2k39 s VAL 17 CO 0.16 -0.23 0.11 -0.70 -0.31 0.00 0.00 175.10 174.13 2k39 s GLU 18 N -1.23 3.30 0.33 4.82 2.12 -1.26 -0.48 118.70 126.30 2k39 s GLU 18 Ca -0.13 -0.27 0.12 0.00 0.36 0.00 0.00 54.97 55.06 2k39 s GLU 18 Cb -0.05 -3.05 1.05 0.00 0.26 0.00 0.00 34.13 32.34 2k39 s GLU 18 CO 0.04 0.73 1.50 -2.30 -0.54 0.00 0.00 175.26 174.69 2k39 n PRO 19 N 1.71 -0.06 -0.26 4.30 -0.02 -1.26 -1.69 135.00 137.72 2k39 n PRO 19 Ca -0.17 1.36 0.04 0.00 -2.02 0.00 0.00 63.50 62.71 2k39 n PRO 19 Cb 0.54 -2.32 0.15 0.00 -0.02 0.00 0.00 33.50 31.85 2k39 n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2k39 n SER 20 N -5.26 2.26 -4.87 2.55 3.41 -1.26 -0.92 113.62 109.53 2k39 n SER 20 Ca 0.30 -2.18 -0.32 0.00 -0.26 0.00 0.00 58.87 56.42 2k39 n SER 20 Cb 1.02 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k39 s ASP 21 N -0.68 6.65 0.24 4.04 1.01 -0.68 -4.91 116.67 122.34 2k39 s ASP 21 Ca 0.21 1.05 -0.16 0.00 0.71 0.00 0.00 52.55 54.36 2k39 s ASP 21 Cb 0.14 -2.28 -0.08 0.00 1.01 0.00 0.00 42.92 41.71 2k39 s ASP 21 CO 0.10 -0.17 0.68 0.42 0.21 0.00 0.00 175.17 176.42 2k39 s THR 22 N -1.96 4.69 0.60 -1.27 -4.23 -1.26 -1.82 115.64 110.39 2k39 s THR 22 Ca 0.50 1.03 0.30 0.00 -1.18 0.00 0.00 61.69 62.34 2k39 s THR 22 Cb -0.11 -3.74 0.36 0.00 1.34 0.00 0.00 72.50 70.36 2k39 s THR 22 CO 0.22 0.07 2.13 0.40 -0.54 0.00 0.00 174.62 176.89 2k39 h ILE 23 N 2.45 0.41 -0.17 2.99 2.04 -1.37 0.43 117.51 124.30 2k39 h ILE 23 Ca -0.48 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.26 2k39 h ILE 23 Cb 1.19 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2k39 h ILE 23 CO 0.66 0.00 -0.44 -0.08 0.00 0.00 0.00 178.15 178.29 2k39 h GLU 24 N 0.00 0.40 -0.05 2.37 4.81 -1.78 -2.36 114.58 117.97 2k39 h GLU 24 Ca 0.06 -0.21 -0.14 0.00 -0.13 0.00 0.00 59.36 58.95 2k39 h GLU 24 Cb 0.41 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2k39 h GLU 24 CO -0.00 0.76 -0.61 -0.97 -0.73 0.00 0.00 179.01 177.46 2k39 h ASN 25 N 0.32 0.18 0.70 1.04 -1.24 -1.20 -2.40 115.58 112.99 2k39 h ASN 25 Ca 0.02 -0.10 -0.25 0.00 0.71 0.00 0.00 56.30 56.68 2k39 h ASN 25 Cb 0.90 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.89 2k39 h ASN 25 CO 0.08 0.74 -1.14 0.58 -1.29 0.00 0.00 177.43 176.40 2k39 h VAL 26 N 0.12 1.55 -0.29 2.57 2.07 -1.32 -2.59 116.25 118.36 2k39 h VAL 26 Ca -0.01 -3.08 0.05 0.00 0.82 0.00 0.00 66.70 64.48 2k39 h VAL 26 Cb 1.10 2.86 -0.05 0.00 -1.52 0.00 0.00 31.29 33.68 2k39 h VAL 26 CO 0.09 0.90 -0.04 0.11 0.02 0.00 0.00 177.57 178.65 2k39 h LYS 27 N 0.07 0.04 -0.79 1.57 1.57 -1.38 -0.03 116.57 117.63 2k39 h LYS 27 Ca -0.09 -0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.83 2k39 h LYS 27 Cb 1.87 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 34.02 2k39 h LYS 27 CO 0.18 0.03 -0.29 0.00 -0.57 0.00 0.00 179.45 178.79 2k39 h ALA 28 N 1.27 0.26 0.00 3.86 0.00 -1.40 -3.19 119.26 120.06 2k39 h ALA 28 Ca 0.14 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 2k39 h ALA 28 Cb 0.20 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2k39 h ALA 28 CO -0.27 -0.55 -0.20 0.87 0.00 0.00 0.00 179.25 179.11 2k39 h LYS 29 N -0.06 0.00 -0.54 0.00 1.57 -0.90 -2.18 116.57 114.46 2k39 h LYS 29 Ca 0.33 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.01 2k39 h LYS 29 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2k39 h LYS 29 CO -0.83 0.20 -0.06 0.82 -0.57 0.00 0.00 179.45 179.02 2k39 h ILE 30 N 0.00 1.26 0.00 1.86 2.04 -1.13 -3.14 117.51 118.40 2k39 h ILE 30 Ca -0.00 -1.18 -0.07 0.00 1.00 0.00 0.00 64.86 64.61 2k39 h ILE 30 Cb 0.86 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2k39 h ILE 30 CO 0.03 0.42 -0.32 -0.61 0.00 0.00 0.00 178.15 177.66 2k39 h GLN 31 N 0.88 0.00 -0.31 2.37 -0.00 -1.38 1.00 115.11 117.67 2k39 h GLN 31 Ca 0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.68 2k39 h GLN 31 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.07 2k39 h GLN 31 CO 0.04 0.32 -0.27 0.22 0.00 0.00 0.00 178.83 179.14 2k39 h ASP 32 N 0.00 0.78 0.02 -0.69 3.58 -1.45 0.38 116.42 119.03 2k39 h ASP 32 Ca -0.00 -0.46 -0.20 0.00 0.42 0.00 0.00 57.03 56.79 2k39 h ASP 32 Cb 0.72 -0.22 0.02 0.00 1.72 0.00 0.00 39.33 41.57 2k39 h ASP 32 CO 0.04 1.07 -0.81 0.11 -2.88 0.00 0.00 179.24 176.77 2k39 h LYS 33 N 0.49 0.51 0.00 0.28 1.79 -1.44 -3.41 116.57 114.79 2k39 h LYS 33 Ca 0.05 -0.58 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2k39 h LYS 33 Cb 0.84 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2k39 h LYS 33 CO 0.07 1.21 0.00 -1.91 -1.08 0.00 0.00 179.45 177.74 2k39 n GLU 34 N -4.06 0.64 -0.73 3.15 4.07 0.31 -5.04 120.64 118.97 2k39 n GLU 34 Ca -0.11 -0.68 0.00 0.00 -0.06 0.00 0.00 57.16 56.31 2k39 n GLU 34 Cb 0.78 -0.75 0.00 0.00 -0.06 0.00 0.00 31.44 31.41 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k39 n GLY 35 N -0.14 0.72 3.63 8.31 0.00 0.12 -4.90 105.19 112.93 2k39 n GLY 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2k39 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k39 s ILE 36 N -2.76 4.30 0.18 -0.61 1.01 -1.26 -4.99 121.20 117.07 2k39 s ILE 36 Ca 0.00 1.46 -0.33 0.00 0.00 0.00 0.00 60.65 61.79 2k39 s ILE 36 Cb 0.00 -4.32 -0.16 0.00 0.01 0.00 0.00 42.46 38.00 2k39 s ILE 36 CO 0.00 -0.54 1.16 -2.65 0.00 0.00 0.00 174.94 172.90 2k39 n PRO 37 N 7.20 1.17 -0.09 2.79 -0.02 -1.26 -4.37 135.00 140.43 2k39 n PRO 37 Ca 0.13 0.42 -0.05 0.00 -2.02 0.00 0.00 63.50 61.98 2k39 n PRO 37 Cb 0.47 -1.91 0.14 0.00 -0.02 0.00 0.00 33.50 32.18 2k39 n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2k39 h PRO 38 N 3.32 0.76 -1.77 0.52 0.13 -1.94 -1.98 132.00 131.05 2k39 h PRO 38 Ca -0.43 -0.24 0.54 0.00 -0.87 0.00 0.00 66.00 64.99 2k39 h PRO 38 Cb 1.34 -0.07 -0.10 0.00 0.13 0.00 0.00 31.00 32.31 2k39 h PRO 38 CO 0.70 0.83 1.24 -3.47 -0.23 0.00 0.00 178.00 177.07 2k39 n ASP 39 N -4.17 0.06 0.00 1.44 -0.08 -1.26 -1.47 116.55 111.07 2k39 n ASP 39 Ca 0.01 1.10 0.11 0.00 -1.51 0.00 0.00 54.79 54.50 2k39 n ASP 39 Cb 0.35 -0.54 -0.08 0.00 2.34 0.00 0.00 41.12 43.18 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k39 n GLN 40 N -4.13 0.22 -2.86 -0.67 6.02 -0.75 -4.96 117.38 110.26 2k39 n GLN 40 Ca 0.43 -0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.99 2k39 n GLN 40 Cb 1.85 -1.53 -0.06 0.00 1.02 0.00 0.00 30.24 31.52 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2k39 s GLN 41 N -3.17 4.57 -0.07 -1.09 -0.21 -0.54 -3.70 119.66 115.44 2k39 s GLN 41 Ca 0.03 1.25 0.02 0.00 0.02 0.00 0.00 55.36 56.68 2k39 s GLN 41 Cb 0.15 -2.96 0.01 0.00 1.00 0.00 0.00 33.01 31.22 2k39 s GLN 41 CO 0.86 0.38 -0.13 0.50 -2.12 0.00 0.00 175.29 174.77 2k39 s ARG 42 N -1.77 1.85 -0.13 2.91 3.52 -0.28 -4.99 118.95 120.05 2k39 s ARG 42 Ca 0.45 -0.46 -0.13 0.00 -0.13 0.00 0.00 55.73 55.46 2k39 s ARG 42 Cb -0.20 -1.51 -0.05 0.00 -1.56 0.00 0.00 34.95 31.63 2k39 s ARG 42 CO 0.25 0.03 0.29 -0.51 -0.81 0.00 0.00 175.30 174.55 2k39 s LEU 43 N 0.66 4.30 0.10 -0.88 1.43 -1.26 -1.59 118.68 121.43 2k39 s LEU 43 Ca -0.14 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 53.61 2k39 s LEU 43 Cb -0.16 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 2k39 s LEU 43 CO 0.04 0.18 -0.20 -0.63 0.23 0.00 0.00 176.35 175.96 2k39 s ILE 44 N 0.02 1.67 -0.04 -0.59 1.01 0.04 -4.11 121.20 119.19 2k39 s ILE 44 Ca 0.17 -1.50 0.06 0.00 0.00 0.00 0.00 60.65 59.39 2k39 s ILE 44 Cb -0.13 -1.51 -0.09 0.00 0.01 0.00 0.00 42.46 40.73 2k39 s ILE 44 CO 0.05 -0.05 0.08 0.33 0.00 0.00 0.00 174.94 175.35 2k39 n PHE 45 N 1.16 0.00 0.00 3.97 7.35 -1.26 -0.55 117.46 128.13 2k39 n PHE 45 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 2k39 n PHE 45 Cb 0.54 -0.25 0.00 0.00 0.35 0.00 0.00 39.48 40.11 2k39 n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k39 n ALA 46 N -2.03 0.00 -0.88 3.13 0.00 -1.26 -4.90 120.51 114.57 2k39 n ALA 46 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.46 2k39 n ALA 46 Cb 0.49 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.14 2k39 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k39 n GLY 47 N 0.00 4.08 3.29 0.00 0.00 -1.26 -4.97 105.19 106.33 2k39 n GLY 47 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 2k39 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 s LYS 48 N -2.56 0.87 0.82 1.61 1.02 -1.26 -5.17 119.74 115.08 2k39 s LYS 48 Ca 0.35 -0.43 -0.13 0.00 0.02 0.00 0.00 55.97 55.78 2k39 s LYS 48 Cb 0.28 0.38 0.06 0.00 -0.52 0.00 0.00 37.83 38.04 2k39 s LYS 48 CO 0.07 -0.29 1.01 0.00 -0.92 0.00 0.00 175.35 175.22 2k39 n GLN 49 N 0.54 0.10 -4.51 1.68 0.00 -1.26 -4.54 117.38 109.39 2k39 n GLN 49 Ca -0.19 0.10 -0.25 0.00 0.00 0.00 0.00 57.00 56.67 2k39 n GLN 49 Cb 0.60 -2.28 -0.10 0.00 0.00 0.00 0.00 30.24 28.46 2k39 n GLN 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2k39 s LEU 50 N -4.37 2.66 -0.08 2.61 1.43 -1.26 -5.04 118.68 114.64 2k39 s LEU 50 Ca 0.70 -1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 2k39 s LEU 50 Cb -0.29 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2k39 s LEU 50 CO 0.54 -0.10 0.05 -1.61 0.23 0.00 0.00 176.35 175.47 2k39 s GLU 51 N -3.57 3.12 0.49 1.70 2.02 -1.26 -4.99 118.70 116.21 2k39 s GLU 51 Ca 0.31 -0.34 0.26 0.00 0.02 0.00 0.00 54.97 55.22 2k39 s GLU 51 Cb -0.01 -2.91 1.22 0.00 0.10 0.00 0.00 34.13 32.53 2k39 s GLU 51 CO 0.16 0.72 1.96 -0.44 0.02 0.00 0.00 175.26 177.67 2k39 h ASP 52 N 4.94 0.00 -0.95 -0.19 3.32 -1.99 -3.02 116.42 118.52 2k39 h ASP 52 Ca -0.52 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 55.91 2k39 h ASP 52 Cb 1.20 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.40 2k39 h ASP 52 CO 0.56 0.17 0.12 0.61 -1.72 0.00 0.00 179.24 178.98 2k39 n GLY 53 N -0.29 6.09 3.19 2.75 0.00 -1.26 -2.34 105.19 113.34 2k39 n GLY 53 Ca -0.01 -2.48 -0.18 0.00 0.00 0.00 0.00 46.02 43.34 2k39 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k39 s ARG 54 N -3.73 0.87 0.35 1.61 0.52 -1.14 -5.03 118.95 112.39 2k39 s ARG 54 Ca 0.58 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 2k39 s ARG 54 Cb 0.46 -0.84 -0.02 0.00 0.52 0.00 0.00 34.95 35.07 2k39 s ARG 54 CO -0.01 0.18 0.52 0.95 0.02 0.00 0.00 175.30 176.96 2k39 s THR 55 N -1.50 4.64 0.23 0.02 -4.23 -1.26 -2.86 115.64 110.67 2k39 s THR 55 Ca 0.01 -0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 59.74 2k39 s THR 55 Cb -0.09 -3.67 0.18 0.00 1.34 0.00 0.00 72.50 70.26 2k39 s THR 55 CO 0.02 -0.36 1.78 -0.07 -0.54 0.00 0.00 174.62 175.45 2k39 h LEU 56 N 0.79 0.46 -0.84 4.79 3.38 -1.36 -1.00 115.31 121.53 2k39 h LEU 56 Ca -0.48 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2k39 h LEU 56 Cb 1.24 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2k39 h LEU 56 CO 0.58 0.26 0.48 0.77 0.09 0.00 0.00 178.44 180.63 2k39 h SER 57 N 0.60 1.03 -0.72 -0.43 4.64 -1.25 -1.01 113.55 116.41 2k39 h SER 57 Ca 0.35 -0.08 0.16 0.00 -0.47 0.00 0.00 61.79 61.74 2k39 h SER 57 Cb 0.37 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 2k39 h SER 57 CO -0.27 0.81 0.49 0.44 -0.87 0.00 0.00 176.83 177.43 2k39 h ASP 58 N 1.16 0.29 -0.03 4.97 3.32 -1.46 -1.29 116.42 123.38 2k39 h ASP 58 Ca 0.30 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2k39 h ASP 58 Cb -0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2k39 h ASP 58 CO -0.05 0.15 0.00 -1.22 -1.72 0.00 0.00 179.24 176.39 2k39 n TYR 59 N -4.45 0.00 -3.25 4.55 4.01 -1.09 -4.96 117.16 111.98 2k39 n TYR 59 Ca 0.14 -0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.64 2k39 n TYR 59 Cb 0.57 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.63 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k39 n ASN 60 N 1.34 -5.44 -4.64 7.72 5.15 -0.49 -4.96 115.26 113.95 2k39 n ASN 60 Ca 0.14 -0.38 -0.43 0.00 -0.60 0.00 0.00 54.58 53.31 2k39 n ASN 60 Cb 0.60 -4.40 -0.02 0.00 -0.53 0.00 0.00 39.78 35.43 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2k39 s ILE 61 N -3.14 4.44 0.41 -1.44 1.01 -0.43 -4.99 121.20 117.06 2k39 s ILE 61 Ca 0.39 1.66 0.08 0.00 0.00 0.00 0.00 60.65 62.78 2k39 s ILE 61 Cb -0.19 -4.37 -0.01 0.00 0.01 0.00 0.00 42.46 37.91 2k39 s ILE 61 CO 0.48 -0.48 0.46 -1.10 0.00 0.00 0.00 174.94 174.30 2k39 s GLN 62 N 3.74 2.71 0.17 2.79 -1.52 -1.26 -4.49 119.66 121.80 2k39 s GLN 62 Ca 0.47 -1.36 -0.33 0.00 -1.95 0.00 0.00 55.36 52.19 2k39 s GLN 62 Cb -0.13 -2.58 -0.15 0.00 -0.22 0.00 0.00 33.01 29.93 2k39 s GLN 62 CO 0.17 -0.19 1.28 0.36 -0.25 0.00 0.00 175.29 176.65 2k39 n LYS 63 N -1.67 1.41 -1.06 2.91 2.85 -1.26 -2.69 118.16 118.66 2k39 n LYS 63 Ca 0.05 0.51 -0.02 0.00 -1.05 0.00 0.00 58.31 57.79 2k39 n LYS 63 Cb 0.60 -2.08 -0.01 0.00 -0.65 0.00 0.00 35.03 32.89 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2k39 n GLU 64 N 2.07 -0.74 -1.80 -1.58 1.02 0.77 -5.01 120.64 115.37 2k39 n GLU 64 Ca 0.15 0.34 -0.39 0.00 -0.02 0.00 0.00 57.16 57.24 2k39 n GLU 64 Cb 0.25 -3.99 0.03 0.00 -0.02 0.00 0.00 31.44 27.72 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k39 s SER 65 N -2.21 5.47 -0.18 1.62 0.01 -1.09 -4.69 113.70 112.62 2k39 s SER 65 Ca 0.00 2.80 -0.08 0.00 1.31 0.00 0.00 55.95 59.98 2k39 s SER 65 Cb 0.00 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 2k39 s SER 65 CO 0.00 -1.44 0.09 -0.89 0.41 0.00 0.00 173.24 171.41 2k39 s THR 66 N -1.28 5.02 0.12 1.44 2.01 -1.26 -2.40 115.64 119.29 2k39 s THR 66 Ca 0.68 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.78 2k39 s THR 66 Cb -0.41 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2k39 s THR 66 CO 0.50 0.47 0.02 -0.76 -0.69 0.00 0.00 174.62 174.16 2k39 s LEU 67 N 0.19 3.48 -0.16 4.42 1.02 -1.02 -4.84 118.68 121.77 2k39 s LEU 67 Ca 0.06 -0.22 -0.04 0.00 0.02 0.00 0.00 54.13 53.96 2k39 s LEU 67 Cb -0.12 -2.18 -0.02 0.00 0.02 0.00 0.00 46.19 43.89 2k39 s LEU 67 CO -0.00 0.14 -0.04 -1.00 0.02 0.00 0.00 176.35 175.47 2k39 s HIS 68 N -1.47 3.01 -0.44 0.29 3.76 0.29 -0.19 115.29 120.53 2k39 s HIS 68 Ca 0.27 -0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 54.70 2k39 s HIS 68 Cb -0.11 -1.98 0.09 0.00 1.11 0.00 0.00 32.58 31.69 2k39 s HIS 68 CO 0.19 -0.11 0.30 -1.17 -0.85 0.00 0.00 174.74 173.10 2k39 s LEU 69 N 0.53 5.40 0.12 0.89 2.96 0.31 -0.78 118.68 128.10 2k39 s LEU 69 Ca -0.03 -1.64 -0.26 0.00 -0.22 0.00 0.00 54.13 51.97 2k39 s LEU 69 Cb -0.14 -2.01 -0.07 0.00 0.50 0.00 0.00 46.19 44.47 2k39 s LEU 69 CO 0.03 -0.61 0.82 -0.69 -1.32 0.00 0.00 176.35 174.58 2k39 s VAL 70 N 1.42 4.49 0.05 1.68 1.01 -0.62 -2.18 120.40 126.24 2k39 s VAL 70 Ca 0.04 1.78 0.03 0.00 0.00 0.00 0.00 61.98 63.83 2k39 s VAL 70 Cb -0.24 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2k39 s VAL 70 CO 0.01 0.43 -0.11 -1.48 0.00 0.00 0.00 175.10 173.96 2k39 s LEU 71 N -0.57 2.26 -0.76 3.92 0.05 -1.26 -1.13 118.68 121.19 2k39 s LEU 71 Ca 0.39 -0.57 0.01 0.00 0.05 0.00 0.00 54.13 54.02 2k39 s LEU 71 Cb -0.23 -0.32 0.35 0.00 -2.05 0.00 0.00 46.19 43.94 2k39 s LEU 71 CO 0.26 -0.14 1.53 0.54 -0.55 0.00 0.00 176.35 177.99 2k39 n ARG 72 N 1.43 3.82 -0.24 1.48 1.74 -1.24 -4.56 116.66 119.08 2k39 n ARG 72 Ca -0.22 -4.38 0.00 0.00 -0.77 0.00 0.00 57.85 52.48 2k39 n ARG 72 Cb 0.54 -2.32 0.01 0.00 -1.02 0.00 0.00 32.46 29.67 2k39 n ARG 72 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k39 n LEU 73 N -0.32 0.21 -0.02 0.55 -0.00 -1.26 -4.95 117.00 111.21 2k39 n LEU 73 Ca 0.43 -0.71 -0.16 0.00 -0.00 0.00 0.00 56.01 55.57 2k39 n LEU 73 Cb 0.36 -0.02 -0.10 0.00 -0.00 0.00 0.00 43.42 43.66 2k39 n LEU 73 CO 0.44 0.17 0.37 -0.09 -0.00 0.00 0.00 177.39 178.28 2k39 h ARG 74 N 0.00 0.37 0.00 1.47 1.12 -2.04 -3.48 114.38 111.81 2k39 h ARG 74 Ca 0.00 -0.33 0.00 0.00 -1.11 0.00 0.00 59.98 58.54 2k39 h ARG 74 Cb 1.16 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.20 2k39 h ARG 74 CO 0.00 0.99 0.00 0.41 -3.11 0.00 0.00 179.97 178.26 2k39 n GLY 75 N 0.84 1.15 0.00 2.80 0.00 -1.26 -5.18 105.19 103.55 2k39 n GLY 75 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93