#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 4.41 0.48 2.12 -0.21 -1.26 -2.18 119.66 123.01 2k39 s GLN 2 Ca 0.00 0.76 0.05 0.00 0.02 0.00 0.00 55.36 56.19 2k39 s GLN 2 Cb 0.00 -3.44 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 2k39 s GLN 2 CO 0.00 0.11 0.16 0.96 -2.12 0.00 0.00 175.29 174.40 2k39 s ILE 3 N 0.69 1.74 -0.07 1.08 -4.36 -0.76 -0.66 121.20 118.86 2k39 s ILE 3 Ca 0.34 -1.77 -0.10 0.00 -0.26 0.00 0.00 60.65 58.86 2k39 s ILE 3 Cb -0.17 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.05 2k39 s ILE 3 CO 0.16 0.00 0.25 0.72 0.24 0.00 0.00 174.94 176.31 2k39 s PHE 4 N -2.74 -0.22 -0.46 1.37 -0.12 -1.09 -1.11 117.98 113.61 2k39 s PHE 4 Ca 0.27 0.49 -0.05 0.00 -0.05 0.00 0.00 56.93 57.59 2k39 s PHE 4 Cb 0.02 0.08 0.12 0.00 -0.63 0.00 0.00 43.02 42.61 2k39 s PHE 4 CO 0.15 -0.21 0.28 0.08 -0.05 0.00 0.00 175.22 175.48 2k39 s VAL 5 N -0.37 3.69 0.03 -2.49 1.01 0.28 -0.68 120.40 121.86 2k39 s VAL 5 Ca -0.05 -2.05 -0.26 0.00 0.00 0.00 0.00 61.98 59.62 2k39 s VAL 5 Cb -0.03 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2k39 s VAL 5 CO 0.01 -0.74 0.81 -0.75 0.00 0.00 0.00 175.10 174.43 2k39 s LYS 6 N 1.10 4.52 0.09 2.72 2.20 0.34 -0.79 119.74 129.92 2k39 s LYS 6 Ca 0.08 1.14 0.02 0.00 -0.36 0.00 0.00 55.97 56.85 2k39 s LYS 6 Cb -0.24 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.71 2k39 s LYS 6 CO -0.03 0.18 0.13 0.25 -0.36 0.00 0.00 175.35 175.53 2k39 n THR 7 N 3.14 0.00 1.32 3.43 -2.24 -1.16 0.38 114.28 119.16 2k39 n THR 7 Ca -0.00 -0.31 0.15 0.00 -2.27 0.00 0.00 64.05 61.61 2k39 n THR 7 Cb 0.50 -0.93 0.72 0.00 -2.10 0.00 0.00 70.33 68.52 2k39 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k39 n LEU 8 N 0.00 0.00 0.00 3.22 -0.00 -1.26 -4.79 117.00 114.17 2k39 n LEU 8 Ca 0.03 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 2k39 n LEU 8 Cb 0.10 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 2k39 n LEU 8 CO 0.06 -0.00 0.00 0.35 -0.00 0.00 0.00 177.39 177.80 2k39 n THR 9 N -1.33 0.00 -2.40 1.47 -2.24 -1.26 -5.07 114.28 103.45 2k39 n THR 9 Ca 0.13 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.61 2k39 n THR 9 Cb 0.26 -0.14 0.01 0.00 -2.10 0.00 0.00 70.33 68.35 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 5.00 5.90 3.31 3.38 0.00 -1.26 -4.90 105.19 116.62 2k39 n GLY 10 Ca 0.00 -2.71 -0.31 0.00 0.00 0.00 0.00 46.02 42.99 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 -3.65 2.21 -0.12 1.61 2.20 -1.26 -5.11 119.74 115.62 2k39 s LYS 11 Ca 0.49 -0.91 -0.01 0.00 -0.36 0.00 0.00 55.97 55.17 2k39 s LYS 11 Cb 0.40 -2.08 0.03 0.00 -1.51 0.00 0.00 37.83 34.67 2k39 s LYS 11 CO -0.23 0.53 -0.04 0.99 -0.36 0.00 0.00 175.35 176.24 2k39 s THR 12 N -0.53 0.80 -0.20 3.43 2.01 -1.26 -2.97 115.64 116.91 2k39 s THR 12 Ca 0.08 -0.27 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 2k39 s THR 12 Cb -0.11 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 2k39 s THR 12 CO -0.00 0.22 0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 2k39 s ILE 13 N 1.78 5.33 0.13 1.82 1.01 0.03 -4.89 121.20 126.41 2k39 s ILE 13 Ca 0.03 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.74 2k39 s ILE 13 Cb -0.14 -3.44 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 2k39 s ILE 13 CO -0.07 0.43 0.46 -0.89 0.00 0.00 0.00 174.94 174.87 2k39 s THR 14 N 0.45 5.02 -0.05 2.92 2.01 -1.26 -0.56 115.64 124.18 2k39 s THR 14 Ca 0.07 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.56 2k39 s THR 14 Cb -0.11 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.76 2k39 s THR 14 CO -0.01 0.18 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.86 2k39 s LEU 15 N -2.19 1.06 -0.51 4.42 2.96 -0.27 -4.96 118.68 119.19 2k39 s LEU 15 Ca 0.38 -0.08 -0.08 0.00 -0.22 0.00 0.00 54.13 54.13 2k39 s LEU 15 Cb -0.13 -0.36 0.13 0.00 0.50 0.00 0.00 46.19 46.32 2k39 s LEU 15 CO 0.20 -0.11 0.36 -0.70 -1.32 0.00 0.00 176.35 174.78 2k39 s GLU 16 N 1.24 2.48 0.19 1.98 2.56 -1.26 -1.83 118.70 124.06 2k39 s GLU 16 Ca -0.06 -1.93 0.03 0.00 0.00 0.00 0.00 54.97 53.01 2k39 s GLU 16 Cb -0.13 -3.88 -0.05 0.00 2.00 0.00 0.00 34.13 32.07 2k39 s GLU 16 CO -0.02 -1.18 -0.01 0.14 -0.56 0.00 0.00 175.26 173.63 2k39 s VAL 17 N 1.05 0.85 0.05 3.70 -7.23 -0.93 -4.75 120.40 113.14 2k39 s VAL 17 Ca 0.08 -2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.04 2k39 s VAL 17 Cb -0.24 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 34.50 2k39 s VAL 17 CO -0.02 -0.47 0.63 -1.61 -0.31 0.00 0.00 175.10 173.31 2k39 s GLU 18 N -3.88 4.33 0.00 4.82 2.02 -1.26 0.16 118.70 124.89 2k39 s GLU 18 Ca 0.24 0.82 0.29 0.00 0.02 0.00 0.00 54.97 56.34 2k39 s GLU 18 Cb 0.05 -3.30 1.24 0.00 0.10 0.00 0.00 34.13 32.22 2k39 s GLU 18 CO 0.05 0.47 1.86 -0.35 0.02 0.00 0.00 175.26 177.31 2k39 n PRO 19 N 2.29 0.81 0.00 0.39 -0.04 -1.26 -2.25 135.00 134.93 2k39 n PRO 19 Ca -0.07 -0.29 0.15 0.00 -0.04 0.00 0.00 63.50 63.25 2k39 n PRO 19 Cb 0.51 -1.49 0.85 0.00 -0.04 0.00 0.00 33.50 33.32 2k39 n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2k39 n SER 20 N -0.84 0.09 -4.88 3.54 3.41 -1.26 -1.30 113.62 112.39 2k39 n SER 20 Ca 0.16 -0.72 -0.31 0.00 -0.26 0.00 0.00 58.87 57.74 2k39 n SER 20 Cb 0.27 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 2k39 n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k39 s ASP 21 N -2.21 6.56 0.39 4.04 2.15 -0.96 -4.91 116.67 121.74 2k39 s ASP 21 Ca 0.40 0.98 -0.16 0.00 0.43 0.00 0.00 52.55 54.20 2k39 s ASP 21 Cb 0.21 -2.25 -0.09 0.00 -0.30 0.00 0.00 42.92 40.49 2k39 s ASP 21 CO 0.40 -0.23 0.84 0.42 -0.17 0.00 0.00 175.17 176.43 2k39 s THR 22 N -2.09 4.59 0.45 1.71 -4.23 -1.26 -3.31 115.64 111.50 2k39 s THR 22 Ca 0.49 1.09 0.19 0.00 -1.18 0.00 0.00 61.69 62.27 2k39 s THR 22 Cb -0.11 -3.64 0.38 0.00 1.34 0.00 0.00 72.50 70.47 2k39 s THR 22 CO 0.26 -0.35 1.92 0.40 -0.54 0.00 0.00 174.62 176.31 2k39 h ILE 23 N 1.67 0.74 0.19 2.99 1.08 -0.94 -1.95 117.51 121.29 2k39 h ILE 23 Ca -0.48 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 2k39 h ILE 23 Cb 1.18 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2k39 h ILE 23 CO 0.63 0.06 -0.09 -0.08 -0.69 0.00 0.00 178.15 177.98 2k39 h GLU 24 N 0.32 -0.24 0.00 2.37 4.81 -1.44 -1.37 114.58 119.02 2k39 h GLU 24 Ca 0.38 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.57 2k39 h GLU 24 Cb 1.01 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2k39 h GLU 24 CO -0.10 -0.07 -0.28 -0.97 -0.73 0.00 0.00 179.01 176.86 2k39 h ASN 25 N -0.37 0.00 -0.05 1.04 -1.24 -1.75 -0.79 115.58 112.42 2k39 h ASN 25 Ca -0.03 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.00 2k39 h ASN 25 Cb 0.29 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 2k39 h ASN 25 CO 0.04 0.28 -0.04 0.58 -1.29 0.00 0.00 177.43 177.01 2k39 h VAL 26 N 0.00 0.89 -0.47 2.57 2.07 -1.26 -1.90 116.25 118.16 2k39 h VAL 26 Ca -0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 2k39 h VAL 26 Cb 1.09 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2k39 h VAL 26 CO 0.04 0.00 -0.14 0.11 0.02 0.00 0.00 177.57 177.59 2k39 h LYS 27 N -0.04 0.89 0.00 1.57 1.57 -0.97 -1.66 116.57 117.93 2k39 h LYS 27 Ca 0.03 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2k39 h LYS 27 Cb 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2k39 h LYS 27 CO -0.07 0.97 0.00 0.00 -0.57 0.00 0.00 179.45 179.78 2k39 n ALA 28 N -2.50 1.81 -0.05 3.86 0.00 -0.33 -1.54 120.51 121.77 2k39 n ALA 28 Ca 0.01 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 2k39 n ALA 28 Cb 0.40 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 2k39 n ALA 28 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k39 n LYS 29 N -1.23 0.69 -0.34 0.00 5.02 -0.67 -3.63 118.16 117.99 2k39 n LYS 29 Ca 0.07 0.30 0.17 0.00 -2.02 0.00 0.00 58.31 56.83 2k39 n LYS 29 Cb 0.09 -1.66 0.39 0.00 -0.02 0.00 0.00 35.03 33.83 2k39 n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k39 h ILE 30 N -0.23 0.57 -0.85 -0.18 2.04 -1.36 -3.15 117.51 114.36 2k39 h ILE 30 Ca -0.46 -0.20 0.22 0.00 1.00 0.00 0.00 64.86 65.41 2k39 h ILE 30 Cb 1.84 -0.08 -0.14 0.00 -0.74 0.00 0.00 36.82 37.71 2k39 h ILE 30 CO -0.04 0.11 0.19 -0.61 0.00 0.00 0.00 178.15 177.80 2k39 h GLN 31 N 0.60 0.20 -0.75 2.37 4.15 -1.34 0.24 115.11 120.57 2k39 h GLN 31 Ca 0.62 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 60.00 2k39 h GLN 31 Cb 1.19 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 2k39 h GLN 31 CO -0.43 0.13 0.37 0.22 -1.93 0.00 0.00 178.83 177.19 2k39 h ASP 32 N 0.20 0.98 0.08 -0.69 3.58 -1.67 -1.53 116.42 117.37 2k39 h ASP 32 Ca 0.51 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.83 2k39 h ASP 32 Cb 1.00 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2k39 h ASP 32 CO -0.64 0.84 -0.04 0.11 -2.88 0.00 0.00 179.24 176.63 2k39 h LYS 33 N 1.06 -0.10 -0.01 0.28 1.79 -0.83 -3.37 116.57 115.38 2k39 h LYS 33 Ca 0.26 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2k39 h LYS 33 Cb 0.11 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2k39 h LYS 33 CO -0.03 0.41 -0.49 0.39 -1.08 0.00 0.00 179.45 178.65 2k39 n GLU 34 N -4.80 1.28 -0.89 3.15 -0.58 0.56 -5.00 120.64 114.36 2k39 n GLU 34 Ca -0.07 -0.84 0.00 0.00 -0.42 0.00 0.00 57.16 55.83 2k39 n GLU 34 Cb 0.27 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 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 1.35 0.70 3.87 0.62 0.00 -0.58 -5.03 105.19 106.13 2k39 n GLY 35 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2k39 n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k39 s ILE 36 N -2.68 5.39 0.79 -0.61 1.10 -1.24 -5.01 121.20 118.93 2k39 s ILE 36 Ca 0.00 0.07 -0.11 0.00 -0.51 0.00 0.00 60.65 60.10 2k39 s ILE 36 Cb 0.00 -3.39 0.06 0.00 0.15 0.00 0.00 42.46 39.29 2k39 s ILE 36 CO 0.00 0.54 1.09 -2.16 -2.11 0.00 0.00 174.94 172.30 2k39 s PRO 37 N -1.26 2.15 0.00 3.50 0.04 -1.26 -4.28 135.00 133.89 2k39 s PRO 37 Ca 0.18 1.06 0.28 0.00 0.04 0.00 0.00 61.00 62.56 2k39 s PRO 37 Cb -0.12 -1.89 1.06 0.00 0.04 0.00 0.00 34.50 33.59 2k39 s PRO 37 CO 0.08 -1.69 1.80 -0.35 0.04 0.00 0.00 177.00 176.88 2k39 n PRO 38 N -3.54 0.07 -0.24 0.56 -0.04 -1.26 -3.18 135.00 127.37 2k39 n PRO 38 Ca 0.08 -0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2k39 n PRO 38 Cb 0.54 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.76 2k39 n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2k39 n ASP 39 N -1.45 2.97 -0.00 3.54 5.75 -1.26 -4.06 116.55 122.03 2k39 n ASP 39 Ca 0.07 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 2k39 n ASP 39 Cb 0.33 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k39 n GLN 40 N 1.13 2.32 -3.83 0.11 6.02 -1.19 -5.01 117.38 116.93 2k39 n GLN 40 Ca 0.19 -0.30 -0.37 0.00 -0.01 0.00 0.00 57.00 56.51 2k39 n GLN 40 Cb 0.49 -0.80 -0.06 0.00 1.02 0.00 0.00 30.24 30.89 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 -0.43 3.61 -0.29 -1.09 -0.21 -1.26 -4.36 119.66 115.64 2k39 s GLN 41 Ca 0.00 -0.11 -0.00 0.00 0.02 0.00 0.00 55.36 55.26 2k39 s GLN 41 Cb 0.00 -3.24 0.09 0.00 1.00 0.00 0.00 33.01 30.86 2k39 s GLN 41 CO 0.00 0.68 0.06 1.03 -2.12 0.00 0.00 175.29 174.94 2k39 s ARG 42 N -0.75 0.93 -0.05 2.91 0.52 -0.93 -5.01 118.95 116.57 2k39 s ARG 42 Ca 0.14 -1.06 -0.28 0.00 -0.52 0.00 0.00 55.73 54.01 2k39 s ARG 42 Cb -0.12 -2.24 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 2k39 s ARG 42 CO 0.03 -0.87 0.92 -0.51 0.02 0.00 0.00 175.30 174.89 2k39 s LEU 43 N 1.53 4.32 -0.21 2.53 1.43 -1.26 -1.26 118.68 125.76 2k39 s LEU 43 Ca 0.06 1.50 -0.03 0.00 -1.03 0.00 0.00 54.13 54.63 2k39 s LEU 43 Cb -0.18 -3.45 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 2k39 s LEU 43 CO -0.18 -0.29 -0.07 -0.63 0.23 0.00 0.00 176.35 175.41 2k39 s ILE 44 N 1.30 3.12 -0.18 -0.59 1.01 0.72 -1.04 121.20 125.53 2k39 s ILE 44 Ca 0.47 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 2k39 s ILE 44 Cb -0.19 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2k39 s ILE 44 CO 0.23 0.44 0.04 0.12 0.00 0.00 0.00 174.94 175.76 2k39 s PHE 45 N 1.44 3.18 0.00 3.97 2.19 -0.94 0.19 117.98 128.01 2k39 s PHE 45 Ca 0.06 -0.06 0.00 0.00 0.33 0.00 0.00 56.93 57.25 2k39 s PHE 45 Cb -0.14 -2.07 0.00 0.00 -1.31 0.00 0.00 43.02 39.50 2k39 s PHE 45 CO -0.05 0.06 0.00 0.00 1.83 0.00 0.00 175.22 177.06 2k39 n ALA 46 N 3.68 0.00 -1.79 11.12 0.00 -1.26 -1.69 120.51 130.57 2k39 n ALA 46 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.31 2k39 n ALA 46 Cb 0.52 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.03 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 2.25 3.45 0.00 0.00 -1.26 -5.00 105.19 104.63 2k39 n GLY 47 Ca 0.00 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.11 3.03 -0.51 1.61 1.02 -0.68 -5.05 119.74 118.06 2k39 s LYS 48 Ca 0.18 -0.99 -0.28 0.00 0.02 0.00 0.00 55.97 54.90 2k39 s LYS 48 Cb 0.18 -4.03 0.03 0.00 -0.52 0.00 0.00 37.83 33.49 2k39 s LYS 48 CO -0.03 -0.90 1.12 -1.14 -0.92 0.00 0.00 175.35 173.48 2k39 s GLN 49 N 1.93 3.62 0.48 1.68 0.74 -1.26 -2.21 119.66 124.64 2k39 s GLN 49 Ca 0.08 0.39 -0.23 0.00 0.05 0.00 0.00 55.36 55.65 2k39 s GLN 49 Cb -0.20 -3.95 -0.07 0.00 1.10 0.00 0.00 33.01 29.90 2k39 s GLN 49 CO 0.11 -1.46 1.22 -0.51 -0.55 0.00 0.00 175.29 174.10 2k39 s LEU 50 N 4.50 3.97 -0.16 3.68 1.43 -0.21 -5.00 118.68 126.90 2k39 s LEU 50 Ca 0.44 2.43 -0.08 0.00 -1.03 0.00 0.00 54.13 55.90 2k39 s LEU 50 Cb -0.08 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 2k39 s LEU 50 CO 0.29 -1.09 0.11 -1.61 0.23 0.00 0.00 176.35 174.28 2k39 s GLU 51 N -2.74 3.77 0.33 1.70 2.02 -1.26 -4.83 118.70 117.69 2k39 s GLU 51 Ca 0.65 -0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.44 2k39 s GLU 51 Cb -0.32 -3.24 0.62 0.00 0.10 0.00 0.00 34.13 31.29 2k39 s GLU 51 CO 0.38 0.50 1.93 -0.44 0.02 0.00 0.00 175.26 177.66 2k39 h ASP 52 N 5.93 0.81 0.00 -0.19 5.19 -1.94 -2.84 116.42 123.38 2k39 h ASP 52 Ca -0.46 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2k39 h ASP 52 Cb 1.19 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.53 2k39 h ASP 52 CO 0.66 0.51 -1.12 0.61 -3.12 0.00 0.00 179.24 176.79 2k39 n GLY 53 N -1.42 -0.59 3.77 2.75 0.00 -1.26 -1.15 105.19 107.29 2k39 n GLY 53 Ca 0.13 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.74 3.04 1.02 1.61 0.52 -1.07 -4.78 118.95 116.55 2k39 s ARG 54 Ca 0.02 1.49 -0.17 0.00 -0.52 0.00 0.00 55.73 56.54 2k39 s ARG 54 Cb 0.11 -1.97 0.23 0.00 0.52 0.00 0.00 34.95 33.84 2k39 s ARG 54 CO 0.66 -1.07 1.31 0.95 0.02 0.00 0.00 175.30 177.17 2k39 s THR 55 N -2.09 1.93 -0.09 0.02 -4.23 -1.26 -2.03 115.64 107.90 2k39 s THR 55 Ca 0.70 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.35 2k39 s THR 55 Cb -0.22 -2.92 -0.08 0.00 1.34 0.00 0.00 72.50 70.61 2k39 s THR 55 CO 0.35 0.00 1.13 -0.07 -0.54 0.00 0.00 174.62 175.49 2k39 h LEU 56 N -1.88 0.00 -1.39 4.79 3.38 -1.25 -3.33 115.31 115.63 2k39 h LEU 56 Ca -0.44 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2k39 h LEU 56 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2k39 h LEU 56 CO 0.33 0.66 -0.13 0.77 0.09 0.00 0.00 178.44 180.16 2k39 h SER 57 N 0.00 0.00 0.83 -0.43 4.64 -1.48 -0.20 113.55 116.91 2k39 h SER 57 Ca -0.09 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 2k39 h SER 57 Cb 1.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.65 2k39 h SER 57 CO 0.07 0.13 -0.76 0.44 -0.87 0.00 0.00 176.83 175.84 2k39 h ASP 58 N 0.00 0.00 0.11 4.97 3.32 -1.83 -3.16 116.42 119.82 2k39 h ASP 58 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k39 h ASP 58 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2k39 h ASP 58 CO 0.02 0.76 -0.14 -1.22 -1.72 0.00 0.00 179.24 176.94 2k39 n TYR 59 N -3.58 0.00 -3.43 4.55 4.01 -0.49 -4.96 117.16 113.27 2k39 n TYR 59 Ca -0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 2k39 n TYR 59 Cb 0.75 -0.06 0.06 0.00 -0.31 0.00 0.00 39.34 39.78 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 -0.19 -6.23 -4.58 7.72 2.85 -0.21 -4.96 115.26 109.67 2k39 n ASN 60 Ca 0.15 -0.47 -0.42 0.00 -0.11 0.00 0.00 54.58 53.74 2k39 n ASN 60 Cb 0.36 -4.94 -0.03 0.00 1.24 0.00 0.00 39.78 36.41 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k39 s ILE 61 N -3.27 3.82 0.66 -1.44 -1.09 -0.76 -5.00 121.20 114.12 2k39 s ILE 61 Ca 0.50 0.71 -0.07 0.00 -2.23 0.00 0.00 60.65 59.56 2k39 s ILE 61 Cb -0.22 -4.46 0.03 0.00 -1.58 0.00 0.00 42.46 36.23 2k39 s ILE 61 CO 0.62 -1.16 0.98 -1.58 -1.23 0.00 0.00 174.94 172.57 2k39 s GLN 62 N 5.42 2.61 0.29 2.79 2.00 -1.26 -4.72 119.66 126.79 2k39 s GLN 62 Ca 0.52 -0.01 -0.30 0.00 -2.00 0.00 0.00 55.36 53.57 2k39 s GLN 62 Cb -0.11 -2.18 -0.11 0.00 0.80 0.00 0.00 33.01 31.41 2k39 s GLN 62 CO 0.25 -0.98 1.55 -1.59 -0.50 0.00 0.00 175.29 174.02 2k39 s LYS 63 N -5.17 4.15 -1.09 1.67 -2.85 -1.26 -3.23 119.74 111.97 2k39 s LYS 63 Ca 0.57 2.52 0.00 0.00 -1.00 0.00 0.00 55.97 58.06 2k39 s LYS 63 Cb -0.11 -3.04 0.00 0.00 -2.06 0.00 0.00 37.83 32.63 2k39 s LYS 63 CO 0.46 -0.57 0.00 0.39 0.10 0.00 0.00 175.35 175.73 2k39 n GLU 64 N 2.01 -0.90 -2.61 1.78 1.02 0.16 -4.99 120.64 117.12 2k39 n GLU 64 Ca 0.07 0.68 -0.43 0.00 -0.02 0.00 0.00 57.16 57.46 2k39 n GLU 64 Cb 0.38 -4.79 -0.02 0.00 -0.02 0.00 0.00 31.44 26.99 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 -2.60 6.87 0.23 1.62 0.01 -1.20 -4.84 113.70 113.79 2k39 s SER 65 Ca 0.00 1.00 -0.30 0.00 1.31 0.00 0.00 55.95 57.96 2k39 s SER 65 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 2k39 s SER 65 CO 0.00 -0.95 1.15 -0.89 0.41 0.00 0.00 173.24 172.96 2k39 s THR 66 N 3.83 3.51 0.32 1.44 2.01 -1.26 -2.66 115.64 122.83 2k39 s THR 66 Ca 0.47 1.39 0.05 0.00 0.31 0.00 0.00 61.69 63.91 2k39 s THR 66 Cb -0.12 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2k39 s THR 66 CO 0.18 0.28 0.22 -1.48 -0.69 0.00 0.00 174.62 173.13 2k39 s LEU 67 N -0.88 1.69 -0.14 4.42 0.05 0.14 -4.82 118.68 119.13 2k39 s LEU 67 Ca 0.48 -1.66 0.01 0.00 0.05 0.00 0.00 54.13 53.02 2k39 s LEU 67 Cb -0.32 0.37 0.02 0.00 -2.05 0.00 0.00 46.19 44.21 2k39 s LEU 67 CO 0.39 -0.98 -0.18 -2.28 -0.55 0.00 0.00 176.35 172.76 2k39 s HIS 68 N -3.54 2.37 -0.15 3.48 5.65 0.13 -0.51 115.29 122.72 2k39 s HIS 68 Ca 0.37 -1.26 -0.11 0.00 0.25 0.00 0.00 55.06 54.30 2k39 s HIS 68 Cb 0.03 -1.67 -0.05 0.00 -1.18 0.00 0.00 32.58 29.71 2k39 s HIS 68 CO 0.22 -0.64 0.22 -1.17 -0.65 0.00 0.00 174.74 172.72 2k39 s LEU 69 N 1.15 4.29 -0.19 8.88 2.96 0.16 -0.20 118.68 135.73 2k39 s LEU 69 Ca -0.01 0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 54.23 2k39 s LEU 69 Cb -0.14 -2.24 -0.05 0.00 0.50 0.00 0.00 46.19 44.26 2k39 s LEU 69 CO -0.07 0.21 0.25 -0.69 -1.32 0.00 0.00 176.35 174.73 2k39 s VAL 70 N -0.02 5.32 0.25 1.68 1.01 -0.39 -3.99 120.40 124.26 2k39 s VAL 70 Ca 0.14 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.57 2k39 s VAL 70 Cb -0.12 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2k39 s VAL 70 CO 0.03 0.38 0.21 -1.48 0.00 0.00 0.00 175.10 174.24 2k39 s LEU 71 N 0.63 1.27 0.32 3.92 2.34 -1.26 -2.18 118.68 123.73 2k39 s LEU 71 Ca 0.14 -1.48 -0.16 0.00 0.06 0.00 0.00 54.13 52.68 2k39 s LEU 71 Cb -0.13 0.57 -0.09 0.00 -0.56 0.00 0.00 46.19 45.98 2k39 s LEU 71 CO 0.03 -0.95 0.76 -0.60 -1.06 0.00 0.00 176.35 174.54 2k39 s ARG 72 N -3.88 4.07 0.21 1.48 3.52 -1.26 -5.05 118.95 118.04 2k39 s ARG 72 Ca 0.38 0.76 0.08 0.00 -0.13 0.00 0.00 55.73 56.82 2k39 s ARG 72 Cb 0.05 -2.47 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 2k39 s ARG 72 CO 0.17 0.17 0.04 -0.51 -0.81 0.00 0.00 175.30 174.36 2k39 s LEU 73 N -2.86 3.40 -0.13 -0.88 1.43 -1.26 -4.98 118.68 113.40 2k39 s LEU 73 Ca 0.54 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 2k39 s LEU 73 Cb -0.11 -1.99 -0.11 0.00 0.03 0.00 0.00 46.19 44.01 2k39 s LEU 73 CO 0.17 0.04 -0.06 -1.14 0.23 0.00 0.00 176.35 175.60 2k39 n ARG 74 N -0.53 1.11 0.00 1.70 0.63 -1.26 -5.14 116.66 113.17 2k39 n ARG 74 Ca -0.08 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2k39 n ARG 74 Cb 0.57 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 32.20 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k39 n GLY 75 N 2.63 0.23 0.34 5.14 0.00 -1.26 -5.33 105.19 106.95 2k39 n GLY 75 Ca -0.22 -2.01 0.04 0.00 0.00 0.00 0.00 46.02 43.83 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93