#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 3.49 0.28 0.03 1.03 -1.26 -1.70 119.66 121.53 2k39 s GLN 2 Ca 0.00 -0.32 0.05 0.00 0.04 0.00 0.00 55.36 55.13 2k39 s GLN 2 Cb 0.00 -3.00 -0.02 0.00 0.03 0.00 0.00 33.01 30.02 2k39 s GLN 2 CO 0.00 0.59 0.17 0.44 -2.54 0.00 0.00 175.29 173.95 2k39 n ILE 3 N 0.38 0.00 -4.69 3.63 -5.35 0.93 -0.69 119.36 113.57 2k39 n ILE 3 Ca -0.05 -1.83 -0.23 0.00 -0.27 0.00 0.00 62.75 60.36 2k39 n ILE 3 Cb 0.51 0.81 -0.15 0.00 -1.74 0.00 0.00 39.64 39.07 2k39 n ILE 3 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2k39 s PHE 4 N -2.90 1.37 -0.28 4.28 0.08 -1.00 -1.46 117.98 118.07 2k39 s PHE 4 Ca 0.24 -0.30 -0.05 0.00 0.12 0.00 0.00 56.93 56.95 2k39 s PHE 4 Cb 0.01 -0.90 0.02 0.00 -0.57 0.00 0.00 43.02 41.58 2k39 s PHE 4 CO 0.17 -0.06 0.03 0.08 -0.10 0.00 0.00 175.22 175.34 2k39 s VAL 5 N -0.21 3.58 -0.09 -0.44 1.01 -0.03 -3.11 120.40 121.11 2k39 s VAL 5 Ca 0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 2k39 s VAL 5 Cb -0.07 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2k39 s VAL 5 CO 0.00 0.11 0.06 -0.75 0.00 0.00 0.00 175.10 174.52 2k39 s LYS 6 N 1.44 3.15 -0.30 2.72 2.20 -0.94 0.32 119.74 128.32 2k39 s LYS 6 Ca 0.02 -0.31 -0.10 0.00 -0.36 0.00 0.00 55.97 55.21 2k39 s LYS 6 Cb -0.17 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 2k39 s LYS 6 CO 0.00 0.73 0.17 0.95 -0.36 0.00 0.00 175.35 176.84 2k39 s THR 7 N -0.95 4.92 0.48 3.43 -4.23 -0.81 -1.48 115.64 117.00 2k39 s THR 7 Ca 0.14 -0.16 0.30 0.00 -1.18 0.00 0.00 61.69 60.79 2k39 s THR 7 Cb -0.12 -3.43 0.49 0.00 1.34 0.00 0.00 72.50 70.78 2k39 s THR 7 CO 0.04 0.15 1.78 -0.07 -0.54 0.00 0.00 174.62 175.97 2k39 h LEU 8 N 8.37 0.18 -0.02 4.79 3.38 -1.89 -1.94 115.31 128.18 2k39 h LEU 8 Ca -0.34 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2k39 h LEU 8 Cb 1.17 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2k39 h LEU 8 CO 0.59 0.02 -0.39 0.35 0.09 0.00 0.00 178.44 179.11 2k39 n THR 9 N -4.37 0.00 0.00 0.22 -2.24 -1.26 -4.91 114.28 101.71 2k39 n THR 9 Ca 0.26 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2k39 n THR 9 Cb 1.12 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 1.49 3.17 3.20 3.38 0.00 -0.74 -5.19 105.19 110.50 2k39 n GLY 10 Ca 0.06 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 2k39 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 11 N 2.19 0.94 -0.35 1.61 -2.85 -1.16 -4.91 119.74 115.20 2k39 s LYS 11 Ca 0.00 -1.29 -0.28 0.00 -1.00 0.00 0.00 55.97 53.40 2k39 s LYS 11 Cb 0.00 0.28 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 2k39 s LYS 11 CO 0.00 -0.28 1.03 0.95 0.10 0.00 0.00 175.35 177.15 2k39 s THR 12 N -3.99 4.50 -0.20 3.79 -4.23 -1.26 -1.93 115.64 112.32 2k39 s THR 12 Ca 0.18 1.52 -0.05 0.00 -1.18 0.00 0.00 61.69 62.16 2k39 s THR 12 Cb 0.06 -4.41 -0.02 0.00 1.34 0.00 0.00 72.50 69.47 2k39 s THR 12 CO -0.01 -0.55 -0.01 -0.63 -0.54 0.00 0.00 174.62 172.88 2k39 s ILE 13 N 3.68 3.88 -0.03 2.99 1.01 0.15 -4.96 121.20 127.92 2k39 s ILE 13 Ca 0.43 -0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 2k39 s ILE 13 Cb -0.12 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 2k39 s ILE 13 CO 0.18 0.43 1.34 0.42 0.00 0.00 0.00 174.94 177.31 2k39 s THR 14 N 0.98 3.91 0.09 2.92 -4.23 -1.26 -0.85 115.64 117.21 2k39 s THR 14 Ca 0.01 1.26 0.05 0.00 -1.18 0.00 0.00 61.69 61.84 2k39 s THR 14 Cb -0.14 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.85 2k39 s THR 14 CO 0.02 -0.01 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.72 2k39 s LEU 15 N 2.46 2.34 -0.09 4.79 1.98 -0.53 -4.89 118.68 124.73 2k39 s LEU 15 Ca 0.61 -0.71 0.00 0.00 -2.89 0.00 0.00 54.13 51.14 2k39 s LEU 15 Cb -0.29 -0.53 0.02 0.00 0.66 0.00 0.00 46.19 46.05 2k39 s LEU 15 CO 0.24 -0.11 -0.08 -0.70 -1.89 0.00 0.00 176.35 173.81 2k39 s GLU 16 N -2.19 1.51 0.13 1.98 2.12 -1.26 -0.05 118.70 120.94 2k39 s GLU 16 Ca 0.03 -0.28 0.08 0.00 0.36 0.00 0.00 54.97 55.16 2k39 s GLU 16 Cb -0.07 -1.48 -0.04 0.00 0.26 0.00 0.00 34.13 32.80 2k39 s GLU 16 CO 0.02 -0.18 -0.19 0.14 -0.54 0.00 0.00 175.26 174.52 2k39 s VAL 17 N 1.38 1.69 0.30 3.70 -7.23 -0.69 -5.00 120.40 114.56 2k39 s VAL 17 Ca -0.01 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2k39 s VAL 17 Cb -0.14 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 2k39 s VAL 17 CO -0.04 -0.21 0.53 -1.61 -0.31 0.00 0.00 175.10 173.46 2k39 s GLU 18 N -2.35 3.55 0.00 4.82 0.41 -1.26 0.04 118.70 123.91 2k39 s GLU 18 Ca 0.10 -0.19 0.09 0.00 -0.41 0.00 0.00 54.97 54.57 2k39 s GLU 18 Cb -0.08 -2.68 0.42 0.00 -1.78 0.00 0.00 34.13 30.02 2k39 s GLU 18 CO 0.05 0.21 1.23 -0.35 -0.49 0.00 0.00 175.26 175.91 2k39 n PRO 19 N -1.28 0.06 -0.12 0.39 -0.04 -1.26 -1.78 135.00 130.98 2k39 n PRO 19 Ca -0.03 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.77 2k39 n PRO 19 Cb 0.55 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.40 2.71 -4.75 3.54 3.41 -1.26 -4.95 113.62 110.92 2k39 n SER 20 Ca 0.03 -1.81 -0.40 0.00 -0.26 0.00 0.00 58.87 56.44 2k39 n SER 20 Cb 0.09 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.09 7.64 0.61 4.04 1.01 -0.73 -4.92 116.67 123.22 2k39 s ASP 21 Ca 0.23 1.94 -0.05 0.00 0.71 0.00 0.00 52.55 55.38 2k39 s ASP 21 Cb 0.14 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.48 2k39 s ASP 21 CO 0.19 0.15 0.90 0.42 0.21 0.00 0.00 175.17 177.04 2k39 s THR 22 N -1.12 3.23 0.15 -1.27 -4.23 -1.26 -3.59 115.64 107.54 2k39 s THR 22 Ca 0.41 -0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.65 2k39 s THR 22 Cb -0.26 -3.29 -0.03 0.00 1.34 0.00 0.00 72.50 70.26 2k39 s THR 22 CO 0.32 -0.29 1.50 0.40 -0.54 0.00 0.00 174.62 176.01 2k39 h ILE 23 N -0.22 1.27 -0.84 2.99 5.03 -1.89 -1.57 117.51 122.28 2k39 h ILE 23 Ca -0.45 -1.46 0.18 0.00 -0.12 0.00 0.00 64.86 63.00 2k39 h ILE 23 Cb 1.28 1.27 -0.06 0.00 -3.03 0.00 0.00 36.82 36.28 2k39 h ILE 23 CO 0.60 0.50 0.56 -0.08 -0.68 0.00 0.00 178.15 179.04 2k39 h GLU 24 N 0.78 0.42 0.00 2.37 4.81 -1.89 -1.82 114.58 119.26 2k39 h GLU 24 Ca 0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2k39 h GLU 24 Cb 0.88 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2k39 h GLU 24 CO 0.08 0.28 -0.18 -1.71 -0.73 0.00 0.00 179.01 176.74 2k39 n ASN 25 N -4.50 0.59 0.17 1.04 5.15 -0.60 -0.17 115.26 116.94 2k39 n ASN 25 Ca 0.17 0.39 -0.10 0.00 -0.60 0.00 0.00 54.58 54.43 2k39 n ASN 25 Cb 0.61 -0.43 -0.06 0.00 -0.53 0.00 0.00 39.78 39.38 2k39 n ASN 25 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2k39 h VAL 26 N 0.00 0.30 -0.96 3.44 2.07 -1.27 -2.51 116.25 117.32 2k39 h VAL 26 Ca 0.00 -0.70 0.15 0.00 0.82 0.00 0.00 66.70 66.97 2k39 h VAL 26 Cb 0.67 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 2k39 h VAL 26 CO 0.00 0.07 0.61 0.11 0.02 0.00 0.00 177.57 178.38 2k39 h LYS 27 N -1.04 0.78 -0.16 1.57 1.57 -0.97 0.17 116.57 118.49 2k39 h LYS 27 Ca -0.05 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 2k39 h LYS 27 Cb 0.49 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2k39 h LYS 27 CO 0.08 0.51 -0.38 0.00 -0.57 0.00 0.00 179.45 179.10 2k39 h ALA 28 N 1.59 0.26 -0.06 3.86 0.00 -0.62 -0.79 119.26 123.49 2k39 h ALA 28 Ca 0.50 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k39 h ALA 28 Cb 0.70 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2k39 h ALA 28 CO -0.26 0.35 -0.14 0.87 0.00 0.00 0.00 179.25 180.06 2k39 h LYS 29 N 0.18 -0.20 -0.85 0.00 1.57 -1.10 0.20 116.57 116.38 2k39 h LYS 29 Ca -0.00 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.02 2k39 h LYS 29 Cb 0.99 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 2k39 h LYS 29 CO 0.08 -0.13 0.60 0.82 -0.57 0.00 0.00 179.45 180.25 2k39 h ILE 30 N -0.21 0.61 0.02 1.86 2.04 -0.64 -1.31 117.51 119.89 2k39 h ILE 30 Ca 0.07 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 2k39 h ILE 30 Cb 0.30 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2k39 h ILE 30 CO -0.18 0.02 -0.18 -0.61 0.00 0.00 0.00 178.15 177.20 2k39 h GLN 31 N 0.13 0.08 -1.20 2.37 4.15 0.49 -0.41 115.11 120.72 2k39 h GLN 31 Ca 0.42 -0.12 0.34 0.00 0.77 0.00 0.00 58.65 60.06 2k39 h GLN 31 Cb 1.45 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 29.10 2k39 h GLN 31 CO -0.06 0.99 0.82 0.22 -1.93 0.00 0.00 178.83 178.87 2k39 h ASP 32 N -0.77 0.21 0.00 -0.69 3.58 -0.36 -1.69 116.42 116.70 2k39 h ASP 32 Ca -0.03 0.06 -0.29 0.00 0.42 0.00 0.00 57.03 57.19 2k39 h ASP 32 Cb 1.07 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.11 2k39 h ASP 32 CO 0.03 0.00 -1.96 1.17 -2.88 0.00 0.00 179.24 175.61 2k39 n LYS 33 N -4.42 0.55 -0.05 0.28 3.00 -0.52 -4.85 118.16 112.15 2k39 n LYS 33 Ca 0.29 0.24 -0.03 0.00 -0.00 0.00 0.00 58.31 58.80 2k39 n LYS 33 Cb 1.18 -1.45 -0.09 0.00 0.00 0.00 0.00 35.03 34.67 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k39 n GLU 34 N -4.30 1.72 -0.81 1.64 -0.58 -0.21 -5.05 120.64 113.05 2k39 n GLU 34 Ca -0.39 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 2k39 n GLU 34 Cb 0.74 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 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 2.17 0.50 3.60 0.62 0.00 -0.64 -4.99 105.19 106.45 2k39 n GLY 35 Ca -0.15 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 4.02 0.56 -0.61 1.01 -1.26 -4.96 121.20 117.95 2k39 s ILE 36 Ca 0.00 1.03 -0.20 0.00 0.00 0.00 0.00 60.65 61.47 2k39 s ILE 36 Cb 0.00 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2k39 s ILE 36 CO 0.00 -0.90 1.25 -2.84 0.00 0.00 0.00 174.94 172.44 2k39 s PRO 37 N 4.79 3.14 0.57 2.79 0.02 -1.26 -4.44 135.00 140.61 2k39 s PRO 37 Ca 0.55 1.94 0.31 0.00 0.02 0.00 0.00 61.00 63.83 2k39 s PRO 37 Cb -0.11 -2.10 1.73 0.00 0.02 0.00 0.00 34.50 34.04 2k39 s PRO 37 CO 0.32 -1.10 2.18 -1.00 -0.33 0.00 0.00 177.00 177.06 2k39 h PRO 38 N 1.24 0.00 0.00 5.54 0.13 -1.93 -3.01 132.00 133.97 2k39 h PRO 38 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k39 h PRO 38 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2k39 h PRO 38 CO 0.56 0.05 -0.90 -0.40 -0.23 0.00 0.00 178.00 177.09 2k39 n ASP 39 N -3.58 0.67 0.13 1.44 5.75 -1.26 -3.87 116.55 115.83 2k39 n ASP 39 Ca -0.02 -0.43 0.12 0.00 -0.01 0.00 0.00 54.79 54.45 2k39 n ASP 39 Cb 0.16 0.72 0.07 0.00 -1.03 0.00 0.00 41.12 41.05 2k39 n ASP 39 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2k39 h GLN 40 N 0.00 0.00 -6.85 0.11 4.15 -1.86 -3.47 115.11 107.19 2k39 h GLN 40 Ca 0.00 0.00 -0.47 0.00 0.77 0.00 0.00 58.65 58.95 2k39 h GLN 40 Cb 0.61 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 2k39 h GLN 40 CO 0.00 0.00 0.30 -0.65 -1.93 0.00 0.00 178.83 176.55 2k39 s GLN 41 N -3.30 4.49 0.18 1.69 -0.21 -1.21 -0.35 119.66 120.95 2k39 s GLN 41 Ca 0.02 1.23 0.11 0.00 0.02 0.00 0.00 55.36 56.74 2k39 s GLN 41 Cb 0.09 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 2k39 s GLN 41 CO 0.75 0.27 -0.24 1.03 -2.12 0.00 0.00 175.29 174.97 2k39 s ARG 42 N -2.16 1.51 -0.01 2.91 0.52 -1.22 -4.80 118.95 115.71 2k39 s ARG 42 Ca 0.50 -1.47 0.08 0.00 -0.52 0.00 0.00 55.73 54.32 2k39 s ARG 42 Cb -0.17 -1.87 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 2k39 s ARG 42 CO 0.22 0.41 -0.25 -0.51 0.02 0.00 0.00 175.30 175.20 2k39 s LEU 43 N -2.52 2.15 0.02 2.53 1.43 -1.26 -1.82 118.68 119.22 2k39 s LEU 43 Ca 0.19 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2k39 s LEU 43 Cb -0.08 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 2k39 s LEU 43 CO 0.09 0.31 -0.06 -0.51 0.23 0.00 0.00 176.35 176.41 2k39 s ILE 44 N -0.67 0.39 -0.29 -0.59 -1.16 -0.53 -1.73 121.20 116.63 2k39 s ILE 44 Ca 0.11 -0.73 -0.02 0.00 -0.51 0.00 0.00 60.65 59.50 2k39 s ILE 44 Cb -0.10 -0.43 0.18 0.00 0.61 0.00 0.00 42.46 42.72 2k39 s ILE 44 CO -0.00 -0.23 0.58 0.12 -2.81 0.00 0.00 174.94 172.59 2k39 s PHE 45 N -0.94 -1.52 -1.05 3.50 5.36 -0.87 -1.18 117.98 121.29 2k39 s PHE 45 Ca -0.07 1.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 2k39 s PHE 45 Cb -0.07 0.52 0.00 0.00 -0.34 0.00 0.00 43.02 43.13 2k39 s PHE 45 CO -0.00 -0.85 0.00 0.00 -1.46 0.00 0.00 175.22 172.91 2k39 n ALA 46 N 5.42 -0.17 0.00 11.12 0.00 -1.26 -1.92 120.51 133.70 2k39 n ALA 46 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2k39 n ALA 46 Cb 0.51 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.65 2.47 3.51 0.00 0.00 -1.26 -5.08 105.19 103.18 2k39 n GLY 47 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.50 3.73 -0.65 1.61 3.01 -0.81 -5.06 119.74 121.08 2k39 s LYS 48 Ca 0.00 -0.47 -0.26 0.00 -1.01 0.00 0.00 55.97 54.23 2k39 s LYS 48 Cb 0.00 -3.11 -0.05 0.00 -1.01 0.00 0.00 37.83 33.67 2k39 s LYS 48 CO 0.00 0.11 2.05 -1.14 0.51 0.00 0.00 175.35 176.88 2k39 s GLN 49 N 0.76 2.41 -0.10 1.68 -0.44 -1.26 -2.04 119.66 120.67 2k39 s GLN 49 Ca 0.01 0.64 -0.29 0.00 -2.50 0.00 0.00 55.36 53.22 2k39 s GLN 49 Cb -0.14 -4.58 -0.05 0.00 -1.64 0.00 0.00 33.01 26.61 2k39 s GLN 49 CO 0.02 -3.10 1.65 -0.51 0.50 0.00 0.00 175.29 173.84 2k39 s LEU 50 N 10.43 4.20 -0.17 3.68 1.43 -0.70 -5.01 118.68 132.55 2k39 s LEU 50 Ca 0.77 2.08 -0.04 0.00 -1.03 0.00 0.00 54.13 55.90 2k39 s LEU 50 Cb -0.13 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 2k39 s LEU 50 CO 0.17 -1.02 -0.02 -1.61 0.23 0.00 0.00 176.35 174.11 2k39 s GLU 51 N 4.21 3.69 0.16 1.70 2.02 -1.26 -4.31 118.70 124.91 2k39 s GLU 51 Ca 0.73 -0.50 -0.34 0.00 0.02 0.00 0.00 54.97 54.88 2k39 s GLU 51 Cb -0.31 -2.97 -0.15 0.00 0.10 0.00 0.00 34.13 30.80 2k39 s GLU 51 CO 0.29 0.20 1.44 -0.40 0.02 0.00 0.00 175.26 176.82 2k39 n ASP 52 N 3.66 2.50 0.00 -0.19 5.75 -1.26 -3.57 116.55 123.45 2k39 n ASP 52 Ca -0.17 1.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.72 2k39 n ASP 52 Cb 0.52 -1.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.26 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k39 n GLY 53 N 2.79 1.08 3.34 6.12 0.00 -1.26 -4.99 105.19 112.26 2k39 n GLY 53 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.06 1.32 0.46 1.61 0.52 -1.23 -5.13 118.95 116.43 2k39 s ARG 54 Ca 0.00 -1.63 -0.05 0.00 -0.52 0.00 0.00 55.73 53.53 2k39 s ARG 54 Cb 0.00 -0.83 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 2k39 s ARG 54 CO 0.00 0.02 0.75 0.95 0.02 0.00 0.00 175.30 177.04 2k39 s THR 55 N -3.23 4.93 0.17 0.02 -4.23 -1.26 -4.09 115.64 107.96 2k39 s THR 55 Ca 0.25 0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 2k39 s THR 55 Cb 0.03 -3.86 0.19 0.00 1.34 0.00 0.00 72.50 70.21 2k39 s THR 55 CO 0.07 -0.79 1.10 -0.11 -0.54 0.00 0.00 174.62 174.35 2k39 n LEU 56 N -2.14 -0.43 0.13 4.79 0.00 -1.24 -2.28 117.00 115.83 2k39 n LEU 56 Ca -0.00 1.24 0.12 0.00 0.00 0.00 0.00 56.01 57.37 2k39 n LEU 56 Cb 0.55 -0.30 0.48 0.00 0.00 0.00 0.00 43.42 44.15 2k39 n LEU 56 CO 0.52 -1.12 0.87 -1.20 0.00 0.00 0.00 177.39 176.46 2k39 n SER 57 N -5.06 0.72 -0.21 1.96 7.64 -1.26 -2.32 113.62 115.08 2k39 n SER 57 Ca 0.08 0.65 -0.08 0.00 1.01 0.00 0.00 58.87 60.52 2k39 n SER 57 Cb 0.30 -0.81 0.03 0.00 -1.01 0.00 0.00 64.21 62.71 2k39 n SER 57 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2k39 h ASP 58 N 0.00 0.95 0.00 6.43 3.32 -1.83 -3.38 116.42 121.91 2k39 h ASP 58 Ca 0.00 -0.26 -0.19 0.00 0.02 0.00 0.00 57.03 56.60 2k39 h ASP 58 Cb 0.45 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2k39 h ASP 58 CO 0.00 0.96 -1.82 -1.22 -1.72 0.00 0.00 179.24 175.44 2k39 n TYR 59 N -4.31 0.00 -0.48 4.55 4.01 -1.12 -5.02 117.16 114.80 2k39 n TYR 59 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2k39 n TYR 59 Cb 0.27 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 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 -2.39 -0.39 -4.51 7.72 5.15 -0.98 -5.04 115.26 114.82 2k39 n ASN 60 Ca -0.18 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.38 2k39 n ASN 60 Cb 0.82 -0.10 -0.03 0.00 -0.53 0.00 0.00 39.78 39.95 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 -2.06 4.30 0.69 -1.44 1.01 -1.17 -4.95 121.20 117.58 2k39 s ILE 61 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 60.65 59.46 2k39 s ILE 61 Cb 0.00 -4.94 0.10 0.00 0.01 0.00 0.00 42.46 37.63 2k39 s ILE 61 CO 0.00 -1.75 0.96 -1.10 0.00 0.00 0.00 174.94 173.05 2k39 s GLN 62 N 3.89 1.89 0.62 2.79 -1.52 -1.26 -4.92 119.66 121.16 2k39 s GLN 62 Ca 0.40 -0.92 -0.19 0.00 -1.95 0.00 0.00 55.36 52.70 2k39 s GLN 62 Cb -0.02 -2.33 -0.02 0.00 -0.22 0.00 0.00 33.01 30.41 2k39 s GLN 62 CO -0.09 -1.29 1.27 0.36 -0.25 0.00 0.00 175.29 175.29 2k39 n LYS 63 N -2.76 1.23 -0.73 2.91 0.00 -1.26 -3.08 118.16 114.46 2k39 n LYS 63 Ca 0.13 0.47 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 2k39 n LYS 63 Cb 0.60 -2.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.13 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2k39 n GLU 64 N -1.59 -0.45 -1.60 -1.58 2.13 0.14 -4.96 120.64 112.71 2k39 n GLU 64 Ca 0.14 0.11 -0.33 0.00 0.66 0.00 0.00 57.16 57.75 2k39 n GLU 64 Cb 0.47 -4.17 0.06 0.00 0.27 0.00 0.00 31.44 28.07 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k39 s SER 65 N -2.17 4.86 -0.06 4.31 0.01 -1.18 -4.76 113.70 114.71 2k39 s SER 65 Ca 0.00 1.99 0.04 0.00 1.31 0.00 0.00 55.95 59.29 2k39 s SER 65 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2k39 s SER 65 CO 0.00 -1.80 -0.18 -0.89 0.41 0.00 0.00 173.24 170.79 2k39 s THR 66 N -2.45 1.51 -0.02 1.44 2.01 -1.26 -2.37 115.64 114.50 2k39 s THR 66 Ca 0.66 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.96 2k39 s THR 66 Cb -0.20 -1.32 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 2k39 s THR 66 CO 0.45 0.44 -0.09 -1.48 -0.69 0.00 0.00 174.62 173.25 2k39 s LEU 67 N 0.31 1.87 0.20 4.42 0.05 -1.18 -4.84 118.68 119.51 2k39 s LEU 67 Ca -0.11 -0.18 -0.21 0.00 0.05 0.00 0.00 54.13 53.69 2k39 s LEU 67 Cb -0.15 -0.52 -0.08 0.00 -2.05 0.00 0.00 46.19 43.39 2k39 s LEU 67 CO 0.04 0.08 0.72 -1.00 -0.55 0.00 0.00 176.35 175.65 2k39 s HIS 68 N 0.04 3.71 -0.15 3.48 3.76 -0.32 -2.22 115.29 123.58 2k39 s HIS 68 Ca -0.01 1.42 -0.04 0.00 -0.15 0.00 0.00 55.06 56.28 2k39 s HIS 68 Cb -0.07 -2.63 -0.03 0.00 1.11 0.00 0.00 32.58 30.96 2k39 s HIS 68 CO 0.00 0.39 -0.01 -1.17 -0.85 0.00 0.00 174.74 173.10 2k39 s LEU 69 N -1.76 3.44 -0.38 0.89 2.96 -0.55 -1.45 118.68 121.83 2k39 s LEU 69 Ca 0.40 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 2k39 s LEU 69 Cb -0.18 -1.83 0.16 0.00 0.50 0.00 0.00 46.19 44.84 2k39 s LEU 69 CO 0.22 0.20 0.42 0.68 -1.32 0.00 0.00 176.35 176.55 2k39 s VAL 70 N 0.17 -0.42 0.55 1.68 -7.23 -0.75 -4.47 120.40 109.92 2k39 s VAL 70 Ca 0.00 -0.92 -0.14 0.00 -1.81 0.00 0.00 61.98 59.11 2k39 s VAL 70 Cb -0.13 -0.57 -0.06 0.00 0.56 0.00 0.00 36.38 36.18 2k39 s VAL 70 CO 0.02 -0.51 1.00 -0.76 -0.31 0.00 0.00 175.10 174.54 2k39 s LEU 71 N 1.40 3.47 -0.97 1.32 1.02 -1.26 -3.41 118.68 120.25 2k39 s LEU 71 Ca 0.18 1.50 -0.15 0.00 0.02 0.00 0.00 54.13 55.68 2k39 s LEU 71 Cb -0.13 -4.48 0.18 0.00 0.02 0.00 0.00 46.19 41.78 2k39 s LEU 71 CO -0.03 -0.69 1.07 -0.13 0.02 0.00 0.00 176.35 176.58 2k39 s ARG 72 N -4.50 3.77 -0.19 1.70 0.52 0.53 -4.74 118.95 116.03 2k39 s ARG 72 Ca 0.57 -2.31 -0.14 0.00 -0.52 0.00 0.00 55.73 53.33 2k39 s ARG 72 Cb -0.10 -4.75 -0.21 0.00 0.52 0.00 0.00 34.95 30.41 2k39 s ARG 72 CO 0.40 -1.56 0.17 1.28 0.02 0.00 0.00 175.30 175.62 2k39 n LEU 73 N 5.10 2.22 0.11 2.53 4.77 -1.26 -4.51 117.00 125.95 2k39 n LEU 73 Ca 0.23 0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 56.30 2k39 n LEU 73 Cb 0.46 -1.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.40 2k39 n LEU 73 CO 0.47 0.56 -0.30 -0.09 -1.33 0.00 0.00 177.39 176.70 2k39 h ARG 74 N -0.56 0.40 0.00 3.23 2.43 -2.00 -3.48 114.38 114.40 2k39 h ARG 74 Ca -0.43 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.05 2k39 h ARG 74 Cb 1.63 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 2k39 h ARG 74 CO -0.12 1.31 0.00 0.41 -1.51 0.00 0.00 179.97 180.06 2k39 n GLY 75 N 1.71 1.54 0.00 2.80 0.00 -1.26 -5.29 105.19 104.69 2k39 n GLY 75 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93