#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 3.39 -0.07 3.17 -0.21 -1.26 -2.05 119.66 122.63 2k39 s GLN 2 Ca 0.00 -0.67 -0.06 0.00 0.02 0.00 0.00 55.36 54.65 2k39 s GLN 2 Cb 0.00 -2.68 0.02 0.00 1.00 0.00 0.00 33.01 31.35 2k39 s GLN 2 CO 0.00 0.16 0.17 0.96 -2.12 0.00 0.00 175.29 174.47 2k39 s ILE 3 N 0.49 -0.01 -0.24 1.08 -4.36 -1.18 -0.34 121.20 116.64 2k39 s ILE 3 Ca -0.08 0.03 -0.07 0.00 -0.26 0.00 0.00 60.65 60.26 2k39 s ILE 3 Cb -0.16 -0.25 -0.03 0.00 1.25 0.00 0.00 42.46 43.27 2k39 s ILE 3 CO 0.04 0.01 0.06 -0.36 0.24 0.00 0.00 174.94 174.93 2k39 s PHE 4 N 0.27 3.09 -0.73 1.37 0.40 -0.26 -1.53 117.98 120.59 2k39 s PHE 4 Ca -0.02 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.88 2k39 s PHE 4 Cb -0.03 -2.21 0.18 0.00 0.51 0.00 0.00 43.02 41.48 2k39 s PHE 4 CO -0.01 -0.31 0.57 0.08 0.70 0.00 0.00 175.22 176.25 2k39 s VAL 5 N 1.46 4.10 0.28 -0.44 1.01 0.79 -0.35 120.40 127.25 2k39 s VAL 5 Ca 0.06 -3.18 -0.15 0.00 0.00 0.00 0.00 61.98 58.71 2k39 s VAL 5 Cb -0.15 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 2k39 s VAL 5 CO 0.03 -0.95 0.69 -0.75 0.00 0.00 0.00 175.10 174.12 2k39 s LYS 6 N -0.42 4.00 -0.10 2.72 2.20 -1.24 -0.58 119.74 126.31 2k39 s LYS 6 Ca 0.20 0.62 -0.04 0.00 -0.36 0.00 0.00 55.97 56.39 2k39 s LYS 6 Cb -0.16 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 2k39 s LYS 6 CO -0.06 0.23 0.07 0.99 -0.36 0.00 0.00 175.35 176.22 2k39 s THR 7 N -1.87 4.87 0.61 3.43 2.01 0.91 -4.31 115.64 121.29 2k39 s THR 7 Ca 0.51 -0.05 0.26 0.00 0.31 0.00 0.00 61.69 62.72 2k39 s THR 7 Cb -0.11 -3.09 0.36 0.00 0.01 0.00 0.00 72.50 69.66 2k39 s THR 7 CO 0.19 0.60 1.59 0.17 -0.69 0.00 0.00 174.62 176.47 2k39 h LEU 8 N 5.02 0.00 -1.78 4.42 -0.00 -1.94 -0.26 115.31 120.78 2k39 h LEU 8 Ca -0.53 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.35 2k39 h LEU 8 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2k39 h LEU 8 CO 0.56 0.00 0.00 0.35 -0.00 0.00 0.00 178.44 179.35 2k39 n THR 9 N -3.37 0.42 0.00 0.15 -2.24 -1.26 -4.89 114.28 103.10 2k39 n THR 9 Ca 0.14 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2k39 n THR 9 Cb 1.05 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 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 1.33 0.61 3.76 3.38 0.00 -0.11 -5.07 105.19 109.10 2k39 n GLY 10 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2k39 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 s LYS 11 N -0.79 4.31 -0.22 1.61 1.02 -1.19 -4.86 119.74 119.62 2k39 s LYS 11 Ca 0.00 2.28 0.01 0.00 0.02 0.00 0.00 55.97 58.28 2k39 s LYS 11 Cb 0.00 -3.07 0.05 0.00 -0.52 0.00 0.00 37.83 34.29 2k39 s LYS 11 CO 0.00 -0.28 -0.08 0.99 -0.92 0.00 0.00 175.35 175.05 2k39 s THR 12 N -0.86 1.66 0.04 2.17 2.01 -1.26 -0.06 115.64 119.34 2k39 s THR 12 Ca 0.52 -1.18 -0.00 0.00 0.31 0.00 0.00 61.69 61.34 2k39 s THR 12 Cb -0.41 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 2k39 s THR 12 CO 0.52 0.03 0.18 -0.63 -0.69 0.00 0.00 174.62 174.03 2k39 s ILE 13 N 1.36 5.25 -0.07 1.82 -1.09 0.25 -4.96 121.20 123.76 2k39 s ILE 13 Ca -0.04 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 2k39 s ILE 13 Cb -0.18 -3.52 0.02 0.00 -1.58 0.00 0.00 42.46 37.19 2k39 s ILE 13 CO -0.07 0.19 -0.11 0.42 -1.23 0.00 0.00 174.94 174.14 2k39 s THR 14 N -1.43 1.08 -0.20 2.92 -4.23 -1.26 -0.15 115.64 112.36 2k39 s THR 14 Ca 0.32 -0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.33 2k39 s THR 14 Cb -0.13 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.68 2k39 s THR 14 CO 0.24 0.35 0.04 -0.76 -0.54 0.00 0.00 174.62 173.95 2k39 s LEU 15 N 0.79 3.48 -0.85 4.79 1.43 -0.58 -4.99 118.68 122.75 2k39 s LEU 15 Ca -0.12 -0.11 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 2k39 s LEU 15 Cb -0.15 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.28 2k39 s LEU 15 CO 0.02 0.08 1.10 -1.61 0.23 0.00 0.00 176.35 176.17 2k39 s GLU 16 N 0.91 3.45 0.14 1.70 8.01 -1.26 -3.08 118.70 128.57 2k39 s GLU 16 Ca 0.02 -1.44 0.02 0.00 0.01 0.00 0.00 54.97 53.58 2k39 s GLU 16 Cb -0.14 -4.74 -0.04 0.00 -4.31 0.00 0.00 34.13 24.89 2k39 s GLU 16 CO 0.02 -1.81 -0.03 0.14 0.01 0.00 0.00 175.26 173.59 2k39 s VAL 17 N 3.24 0.70 -0.08 2.63 -7.23 -0.87 -4.92 120.40 113.88 2k39 s VAL 17 Ca 0.30 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 2k39 s VAL 17 Cb -0.08 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 2k39 s VAL 17 CO -0.04 -0.67 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.21 2k39 s GLU 18 N -3.87 2.80 0.26 4.82 2.56 -1.26 0.14 118.70 124.15 2k39 s GLU 18 Ca 0.18 -0.76 0.14 0.00 0.00 0.00 0.00 54.97 54.53 2k39 s GLU 18 Cb 0.05 -2.39 0.92 0.00 2.00 0.00 0.00 34.13 34.71 2k39 s GLU 18 CO -0.00 0.42 1.12 -2.30 -0.56 0.00 0.00 175.26 173.94 2k39 n PRO 19 N 2.89 -0.04 0.00 4.30 -0.02 -1.26 -1.74 135.00 139.12 2k39 n PRO 19 Ca -0.18 0.98 0.16 0.00 -2.02 0.00 0.00 63.50 62.45 2k39 n PRO 19 Cb 0.52 -1.75 0.90 0.00 -0.02 0.00 0.00 33.50 33.15 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 -4.63 0.01 -4.75 2.55 3.41 -1.26 0.03 113.62 108.98 2k39 n SER 20 Ca 0.26 -0.80 -0.41 0.00 -0.26 0.00 0.00 58.87 57.66 2k39 n SER 20 Cb 0.88 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.74 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 -2.14 6.65 0.84 4.04 1.01 -0.71 -4.84 116.67 121.52 2k39 s ASP 21 Ca 0.43 2.69 -0.11 0.00 0.71 0.00 0.00 52.55 56.28 2k39 s ASP 21 Cb 0.22 -2.63 0.10 0.00 1.01 0.00 0.00 42.92 41.61 2k39 s ASP 21 CO 0.39 -0.69 1.12 0.42 0.21 0.00 0.00 175.17 176.62 2k39 s THR 22 N -0.20 2.68 0.21 -1.27 -4.23 -1.26 -2.34 115.64 109.22 2k39 s THR 22 Ca 0.58 0.23 0.05 0.00 -1.18 0.00 0.00 61.69 61.37 2k39 s THR 22 Cb -0.42 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 70.83 2k39 s THR 22 CO 0.45 -0.28 1.48 0.40 -0.54 0.00 0.00 174.62 176.13 2k39 h ILE 23 N -1.44 1.47 -0.04 2.99 1.08 -1.82 -2.59 117.51 117.17 2k39 h ILE 23 Ca -0.43 -2.40 -0.04 0.00 -0.39 0.00 0.00 64.86 61.60 2k39 h ILE 23 Cb 1.25 2.29 -0.01 0.00 -3.07 0.00 0.00 36.82 37.29 2k39 h ILE 23 CO 0.47 0.70 -0.17 -0.08 -0.69 0.00 0.00 178.15 178.37 2k39 h GLU 24 N 0.09 0.06 0.00 2.37 4.57 -1.94 -1.62 114.58 118.11 2k39 h GLU 24 Ca -0.02 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 2k39 h GLU 24 Cb 1.32 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 2k39 h GLU 24 CO 0.11 0.23 -0.53 -0.97 -1.18 0.00 0.00 179.01 176.67 2k39 h ASN 25 N 0.06 0.00 1.22 1.04 -0.73 -1.91 -3.14 115.58 112.11 2k39 h ASN 25 Ca 0.01 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 2k39 h ASN 25 Cb 0.33 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.92 2k39 h ASN 25 CO 0.02 0.46 -0.01 0.58 -0.37 0.00 0.00 177.43 178.11 2k39 h VAL 26 N 0.00 0.02 -0.10 2.57 2.07 -0.90 -2.87 116.25 117.04 2k39 h VAL 26 Ca -0.02 -0.63 -0.14 0.00 0.82 0.00 0.00 66.70 66.74 2k39 h VAL 26 Cb 1.36 1.62 0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2k39 h VAL 26 CO 0.06 0.01 -0.48 0.11 0.02 0.00 0.00 177.57 177.29 2k39 h LYS 27 N 0.00 0.49 -0.54 1.57 1.57 -1.43 -3.12 116.57 115.11 2k39 h LYS 27 Ca -0.00 -0.40 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 2k39 h LYS 27 Cb 0.62 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2k39 h LYS 27 CO 0.00 1.03 -0.02 0.00 -0.57 0.00 0.00 179.45 179.90 2k39 h ALA 28 N 0.47 0.94 0.00 3.86 0.00 -1.56 -2.21 119.26 120.76 2k39 h ALA 28 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k39 h ALA 28 Cb 1.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2k39 h ALA 28 CO 0.10 0.63 0.00 1.63 0.00 0.00 0.00 179.25 181.61 2k39 n LYS 29 N -4.18 0.01 -0.05 0.00 5.02 -1.09 -1.11 118.16 116.76 2k39 n LYS 29 Ca 0.03 0.28 -0.20 0.00 -2.02 0.00 0.00 58.31 56.39 2k39 n LYS 29 Cb 0.34 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.69 2k39 n LYS 29 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2k39 n ILE 30 N -1.55 1.66 0.35 -0.18 5.41 -0.99 -4.30 119.36 119.76 2k39 n ILE 30 Ca 0.03 -0.60 -0.14 0.00 1.00 0.00 0.00 62.75 63.04 2k39 n ILE 30 Cb 0.16 -1.62 -0.07 0.00 -0.71 0.00 0.00 39.64 37.40 2k39 n ILE 30 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2k39 h GLN 31 N -0.00 -0.86 -1.17 0.38 4.15 -1.13 0.53 115.11 117.00 2k39 h GLN 31 Ca -0.49 0.06 0.42 0.00 0.77 0.00 0.00 58.65 59.41 2k39 h GLN 31 Cb 1.96 0.20 -0.15 0.00 0.21 0.00 0.00 27.48 29.69 2k39 h GLN 31 CO 0.00 -0.58 0.71 0.22 -1.93 0.00 0.00 178.83 177.26 2k39 h ASP 32 N -0.95 0.31 0.00 -0.69 3.58 -1.39 0.31 116.42 117.59 2k39 h ASP 32 Ca -0.09 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2k39 h ASP 32 Cb 0.69 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2k39 h ASP 32 CO 0.15 -0.26 0.00 0.29 -2.88 0.00 0.00 179.24 176.54 2k39 n LYS 33 N -4.93 0.00 0.00 0.28 5.02 -1.18 -4.74 118.16 112.61 2k39 n LYS 33 Ca 0.37 0.47 0.11 0.00 -2.02 0.00 0.00 58.31 57.24 2k39 n LYS 33 Cb 1.32 -0.99 0.05 0.00 -0.02 0.00 0.00 35.03 35.39 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2k39 n GLU 34 N -1.91 1.00 -0.44 1.97 -0.58 0.19 -4.96 120.64 115.90 2k39 n GLU 34 Ca 0.00 -0.79 0.00 0.00 -0.42 0.00 0.00 57.16 55.95 2k39 n GLU 34 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k39 n GLY 35 N 1.42 0.72 3.72 0.62 0.00 0.09 -4.99 105.19 106.78 2k39 n GLY 35 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.86 4.55 0.67 -0.61 1.01 -1.26 -4.97 121.20 117.73 2k39 s ILE 36 Ca 0.00 2.03 -0.11 0.00 0.00 0.00 0.00 60.65 62.57 2k39 s ILE 36 Cb 0.00 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 2k39 s ILE 36 CO 0.00 0.27 1.07 -2.16 0.00 0.00 0.00 174.94 174.12 2k39 s PRO 37 N 0.26 3.14 -0.02 2.79 0.04 -1.26 -4.02 135.00 135.94 2k39 s PRO 37 Ca 0.49 0.59 -0.25 0.00 0.04 0.00 0.00 61.00 61.86 2k39 s PRO 37 Cb -0.23 -2.04 -0.19 0.00 0.04 0.00 0.00 34.50 32.08 2k39 s PRO 37 CO 0.30 -0.86 1.20 -1.00 0.04 0.00 0.00 177.00 176.67 2k39 h PRO 38 N -0.53 -0.10 0.00 0.56 0.13 -1.96 -3.36 132.00 126.74 2k39 h PRO 38 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k39 h PRO 38 Cb 1.23 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k39 h PRO 38 CO 0.63 0.35 0.00 -3.47 -0.23 0.00 0.00 178.00 175.28 2k39 n ASP 39 N -4.91 0.17 0.02 1.44 2.03 -1.26 -1.92 116.55 112.12 2k39 n ASP 39 Ca -0.08 0.55 0.11 0.00 0.52 0.00 0.00 54.79 55.89 2k39 n ASP 39 Cb 0.25 -0.58 -0.08 0.00 -0.72 0.00 0.00 41.12 39.99 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k39 n GLN 40 N -1.69 0.49 -3.38 -0.67 3.00 -1.26 -4.91 117.38 108.96 2k39 n GLN 40 Ca 0.02 -0.07 -0.38 0.00 -0.01 0.00 0.00 57.00 56.56 2k39 n GLN 40 Cb 0.13 -1.60 -0.06 0.00 0.00 0.00 0.00 30.24 28.72 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2k39 s GLN 41 N -3.35 4.08 0.01 -1.09 -0.21 -0.81 -0.58 119.66 117.71 2k39 s GLN 41 Ca -0.02 0.57 0.04 0.00 0.02 0.00 0.00 55.36 55.97 2k39 s GLN 41 Cb 0.13 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.89 2k39 s GLN 41 CO 0.86 0.62 -0.12 1.03 -2.12 0.00 0.00 175.29 175.56 2k39 s ARG 42 N -0.96 0.88 -0.01 2.91 0.52 -0.13 -5.00 118.95 117.16 2k39 s ARG 42 Ca 0.26 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 2k39 s ARG 42 Cb -0.18 -0.85 -0.01 0.00 0.52 0.00 0.00 34.95 34.43 2k39 s ARG 42 CO 0.16 0.23 -0.08 -0.48 0.02 0.00 0.00 175.30 175.15 2k39 s LEU 43 N -0.55 2.01 -0.05 2.53 2.34 -1.26 -0.51 118.68 123.19 2k39 s LEU 43 Ca 0.03 -0.14 0.02 0.00 0.06 0.00 0.00 54.13 54.09 2k39 s LEU 43 Cb -0.05 -0.40 0.02 0.00 -0.56 0.00 0.00 46.19 45.19 2k39 s LEU 43 CO 0.00 0.10 -0.07 -0.63 -1.06 0.00 0.00 176.35 174.68 2k39 s ILE 44 N -0.18 0.73 -0.27 1.48 1.01 -0.30 -1.24 121.20 122.43 2k39 s ILE 44 Ca 0.03 -0.25 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 2k39 s ILE 44 Cb -0.03 -0.71 0.07 0.00 0.01 0.00 0.00 42.46 41.80 2k39 s ILE 44 CO -0.00 0.27 0.68 0.12 0.00 0.00 0.00 174.94 176.00 2k39 s PHE 45 N 0.79 -0.93 -1.33 3.97 5.36 -0.73 -1.29 117.98 123.82 2k39 s PHE 45 Ca -0.13 1.99 -0.07 0.00 -0.96 0.00 0.00 56.93 57.76 2k39 s PHE 45 Cb -0.15 0.47 0.04 0.00 -0.34 0.00 0.00 43.02 43.05 2k39 s PHE 45 CO 0.01 -0.46 0.45 0.00 -1.46 0.00 0.00 175.22 173.77 2k39 n ALA 46 N 3.69 -1.00 0.00 11.12 0.00 -1.26 -2.94 120.51 130.13 2k39 n ALA 46 Ca -0.18 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k39 n ALA 46 Cb 0.57 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.14 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 -1.21 1.26 3.37 0.00 0.00 -1.26 -5.08 105.19 102.27 2k39 n GLY 47 Ca -0.06 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 1.53 0.07 1.61 1.02 -1.15 -5.11 119.74 117.71 2k39 s LYS 48 Ca 0.00 -1.26 -0.31 0.00 0.02 0.00 0.00 55.97 54.42 2k39 s LYS 48 Cb 0.00 -1.92 -0.06 0.00 -0.52 0.00 0.00 37.83 35.33 2k39 s LYS 48 CO 0.00 0.47 1.30 -1.14 -0.92 0.00 0.00 175.35 175.05 2k39 s GLN 49 N -1.77 4.37 -0.42 1.68 0.74 -1.26 -1.78 119.66 121.21 2k39 s GLN 49 Ca 0.13 1.91 -0.29 0.00 0.05 0.00 0.00 55.36 57.16 2k39 s GLN 49 Cb -0.10 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.68 2k39 s GLN 49 CO 0.05 -0.37 1.41 -0.51 -0.55 0.00 0.00 175.29 175.32 2k39 s LEU 50 N 1.27 3.57 0.07 3.68 1.02 -0.37 -4.98 118.68 122.94 2k39 s LEU 50 Ca 0.61 0.79 -0.31 0.00 0.02 0.00 0.00 54.13 55.24 2k39 s LEU 50 Cb -0.32 -3.51 -0.06 0.00 0.02 0.00 0.00 46.19 42.32 2k39 s LEU 50 CO 0.29 -1.46 1.23 -0.70 0.02 0.00 0.00 176.35 175.73 2k39 s GLU 51 N 4.99 4.41 0.05 1.70 2.12 -1.26 -4.77 118.70 125.95 2k39 s GLU 51 Ca 0.61 1.83 -0.38 0.00 0.36 0.00 0.00 54.97 57.39 2k39 s GLU 51 Cb -0.13 -3.33 -0.17 0.00 0.26 0.00 0.00 34.13 30.75 2k39 s GLU 51 CO 0.32 -0.29 1.29 -0.25 -0.54 0.00 0.00 175.26 175.80 2k39 n ASP 52 N 3.91 1.28 0.00 -1.70 8.00 -1.26 -3.12 116.55 123.66 2k39 n ASP 52 Ca 0.09 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.72 2k39 n ASP 52 Cb 0.46 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k39 n GLY 53 N 2.33 0.67 3.94 0.44 0.00 -1.26 -5.05 105.19 106.26 2k39 n GLY 53 Ca 0.19 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.22 2.32 0.33 1.61 1.81 -1.18 -5.04 118.95 117.57 2k39 s ARG 54 Ca 0.00 -1.82 0.10 0.00 -1.72 0.00 0.00 55.73 52.29 2k39 s ARG 54 Cb 0.00 -2.32 -0.06 0.00 -0.45 0.00 0.00 34.95 32.12 2k39 s ARG 54 CO 0.00 -0.63 -0.07 0.95 -0.68 0.00 0.00 175.30 174.87 2k39 s THR 55 N -2.69 2.48 0.34 0.02 -4.23 -1.26 -2.43 115.64 107.87 2k39 s THR 55 Ca 0.45 -2.15 0.08 0.00 -1.18 0.00 0.00 61.69 58.89 2k39 s THR 55 Cb -0.04 -2.65 0.32 0.00 1.34 0.00 0.00 72.50 71.47 2k39 s THR 55 CO 0.28 -0.24 1.86 -0.07 -0.54 0.00 0.00 174.62 175.90 2k39 h LEU 56 N 1.98 0.69 -1.80 4.79 3.38 -1.48 -2.19 115.31 120.68 2k39 h LEU 56 Ca -0.42 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.64 2k39 h LEU 56 Cb 1.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2k39 h LEU 56 CO 0.67 0.35 0.22 -1.28 0.09 0.00 0.00 178.44 178.49 2k39 h SER 57 N 0.73 0.22 0.15 -0.43 0.87 -0.67 -2.76 113.55 111.66 2k39 h SER 57 Ca 0.46 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.98 2k39 h SER 57 Cb 0.71 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2k39 h SER 57 CO -0.22 0.15 -0.16 0.44 -0.53 0.00 0.00 176.83 176.50 2k39 h ASP 58 N 0.25 0.02 -0.48 6.23 3.32 -1.68 -1.85 116.42 122.23 2k39 h ASP 58 Ca 0.14 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2k39 h ASP 58 Cb 0.24 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2k39 h ASP 58 CO -0.03 0.19 0.00 -1.22 -1.72 0.00 0.00 179.24 176.46 2k39 n TYR 59 N -4.33 0.63 -3.92 4.55 4.02 -1.10 -4.99 117.16 112.02 2k39 n TYR 59 Ca -0.02 -0.32 -0.27 0.00 -0.01 0.00 0.00 57.90 57.28 2k39 n TYR 59 Cb 0.24 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.48 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2k39 n ASN 60 N 1.25 0.23 -4.54 7.72 5.15 -0.70 -4.95 115.26 119.42 2k39 n ASN 60 Ca 0.20 -1.00 -0.43 0.00 -0.60 0.00 0.00 54.58 52.75 2k39 n ASN 60 Cb 0.53 -1.25 -0.06 0.00 -0.53 0.00 0.00 39.78 38.47 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 -3.78 4.69 0.41 -1.44 1.01 -1.06 -5.04 121.20 116.00 2k39 s ILE 61 Ca 0.16 0.44 0.07 0.00 0.00 0.00 0.00 60.65 61.33 2k39 s ILE 61 Cb -0.09 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2k39 s ILE 61 CO 0.79 -0.65 0.25 -1.10 0.00 0.00 0.00 174.94 174.23 2k39 s GLN 62 N 3.18 2.34 0.13 2.79 -1.52 -1.26 -4.67 119.66 120.65 2k39 s GLN 62 Ca 0.29 -1.73 -0.35 0.00 -1.95 0.00 0.00 55.36 51.62 2k39 s GLN 62 Cb -0.13 -2.13 -0.16 0.00 -0.22 0.00 0.00 33.01 30.38 2k39 s GLN 62 CO 0.21 -0.15 1.33 1.17 -0.25 0.00 0.00 175.29 177.61 2k39 n LYS 63 N -1.35 1.38 -3.18 2.91 0.00 -1.26 -3.15 118.16 113.50 2k39 n LYS 63 Ca 0.01 0.49 -0.17 0.00 0.00 0.00 0.00 58.31 58.64 2k39 n LYS 63 Cb 0.64 -2.12 0.05 0.00 0.00 0.00 0.00 35.03 33.60 2k39 n LYS 63 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2k39 n GLU 64 N 2.41 -5.21 -3.16 1.64 0.28 0.53 -5.02 120.64 112.11 2k39 n GLU 64 Ca 0.17 0.59 -0.38 0.00 -0.16 0.00 0.00 57.16 57.38 2k39 n GLU 64 Cb 0.23 -4.89 -0.06 0.00 1.43 0.00 0.00 31.44 28.15 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2k39 s SER 65 N -3.14 7.16 -0.15 -1.84 1.04 -1.19 -4.94 113.70 110.64 2k39 s SER 65 Ca 0.38 1.40 -0.14 0.00 0.48 0.00 0.00 55.95 58.07 2k39 s SER 65 Cb -0.17 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 2k39 s SER 65 CO 0.47 0.22 0.29 -0.89 0.98 0.00 0.00 173.24 174.31 2k39 s THR 66 N -1.19 5.30 0.44 2.02 2.01 -1.26 -1.11 115.64 121.86 2k39 s THR 66 Ca 0.33 0.54 0.03 0.00 0.31 0.00 0.00 61.69 62.91 2k39 s THR 66 Cb -0.20 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2k39 s THR 66 CO 0.22 0.40 0.04 -0.76 -0.69 0.00 0.00 174.62 173.83 2k39 s LEU 67 N 0.36 2.31 0.10 4.42 1.02 0.52 -4.96 118.68 122.45 2k39 s LEU 67 Ca 0.17 -1.57 0.06 0.00 0.02 0.00 0.00 54.13 52.81 2k39 s LEU 67 Cb -0.13 -0.56 -0.04 0.00 0.02 0.00 0.00 46.19 45.48 2k39 s LEU 67 CO 0.04 -0.76 -0.06 -1.00 0.02 0.00 0.00 176.35 174.59 2k39 s HIS 68 N -2.99 2.83 -0.03 0.29 3.76 -0.41 -3.73 115.29 115.01 2k39 s HIS 68 Ca 0.20 -0.11 0.07 0.00 -0.15 0.00 0.00 55.06 55.07 2k39 s HIS 68 Cb 0.04 -1.47 -0.02 0.00 1.11 0.00 0.00 32.58 32.25 2k39 s HIS 68 CO 0.11 0.45 -0.23 -1.17 -0.85 0.00 0.00 174.74 173.04 2k39 s LEU 69 N -2.24 2.04 -0.26 0.89 2.96 -1.26 -1.15 118.68 119.66 2k39 s LEU 69 Ca 0.23 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 2k39 s LEU 69 Cb -0.11 -1.23 0.08 0.00 0.50 0.00 0.00 46.19 45.43 2k39 s LEU 69 CO 0.15 0.27 0.07 -0.69 -1.32 0.00 0.00 176.35 174.83 2k39 s VAL 70 N -0.41 0.68 -0.01 1.68 1.01 0.33 -4.99 120.40 118.69 2k39 s VAL 70 Ca 0.05 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 2k39 s VAL 70 Cb -0.10 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2k39 s VAL 70 CO 0.00 -0.49 0.28 -0.76 0.00 0.00 0.00 175.10 174.14 2k39 s LEU 71 N 1.74 4.39 0.48 3.92 1.43 -1.26 -0.95 118.68 128.43 2k39 s LEU 71 Ca 0.05 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 2k39 s LEU 71 Cb -0.17 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.50 2k39 s LEU 71 CO -0.19 0.29 0.69 -0.13 0.23 0.00 0.00 176.35 177.24 2k39 s ARG 72 N -1.51 2.80 0.11 1.70 0.52 0.25 -5.01 118.95 117.80 2k39 s ARG 72 Ca 0.25 -0.76 0.07 0.00 -0.52 0.00 0.00 55.73 54.77 2k39 s ARG 72 Cb -0.14 -2.57 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 2k39 s ARG 72 CO 0.13 -0.45 -0.18 -0.48 0.02 0.00 0.00 175.30 174.35 2k39 s LEU 73 N -4.59 2.33 -0.02 2.53 2.34 -1.26 -4.83 118.68 115.18 2k39 s LEU 73 Ca 0.53 -0.71 0.13 0.00 0.06 0.00 0.00 54.13 54.14 2k39 s LEU 73 Cb -0.10 -0.74 -0.20 0.00 -0.56 0.00 0.00 46.19 44.59 2k39 s LEU 73 CO 0.37 -0.02 0.30 -1.14 -1.06 0.00 0.00 176.35 174.80 2k39 n ARG 74 N 0.95 0.51 0.00 1.48 3.00 -1.26 -5.08 116.66 116.26 2k39 n ARG 74 Ca -0.19 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.55 2k39 n ARG 74 Cb 0.55 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.71 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k39 n GLY 75 N 1.74 3.03 0.00 5.14 0.00 -1.26 -5.25 105.19 108.59 2k39 n GLY 75 Ca -0.02 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93