#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 4.15 0.41 2.12 -0.21 -1.26 -0.29 119.66 124.57 2k39 s GLN 2 Ca 0.00 0.54 0.07 0.00 0.02 0.00 0.00 55.36 55.99 2k39 s GLN 2 Cb 0.00 -3.30 -0.07 0.00 1.00 0.00 0.00 33.01 30.65 2k39 s GLN 2 CO 0.00 0.50 0.08 0.96 -2.12 0.00 0.00 175.29 174.72 2k39 s ILE 3 N -0.54 2.13 -0.08 1.08 -4.36 -1.10 -4.59 121.20 113.74 2k39 s ILE 3 Ca 0.26 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 2k39 s ILE 3 Cb -0.17 -3.00 -0.03 0.00 1.25 0.00 0.00 42.46 40.51 2k39 s ILE 3 CO 0.14 0.00 -0.09 -0.36 0.24 0.00 0.00 174.94 174.87 2k39 s PHE 4 N -2.66 2.86 -0.13 1.37 0.08 -1.19 -1.69 117.98 116.61 2k39 s PHE 4 Ca 0.38 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 57.33 2k39 s PHE 4 Cb 0.07 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.82 2k39 s PHE 4 CO 0.20 0.21 -0.19 0.08 -0.10 0.00 0.00 175.22 175.41 2k39 s VAL 5 N -0.58 1.86 -0.34 -0.44 1.01 -0.13 0.10 120.40 121.89 2k39 s VAL 5 Ca 0.08 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 2k39 s VAL 5 Cb -0.12 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2k39 s VAL 5 CO 0.02 0.51 0.73 -0.54 0.00 0.00 0.00 175.10 175.81 2k39 s LYS 6 N 0.92 3.82 0.66 2.72 1.02 0.15 -1.49 119.74 127.53 2k39 s LYS 6 Ca -0.06 0.32 -0.11 0.00 0.02 0.00 0.00 55.97 56.14 2k39 s LYS 6 Cb -0.15 -3.77 -0.02 0.00 -0.52 0.00 0.00 37.83 33.37 2k39 s LYS 6 CO -0.03 -0.73 1.05 0.95 -0.92 0.00 0.00 175.35 175.67 2k39 s THR 7 N 2.89 4.28 0.33 2.17 -4.23 -0.46 -1.92 115.64 118.70 2k39 s THR 7 Ca 0.29 0.74 0.18 0.00 -1.18 0.00 0.00 61.69 61.72 2k39 s THR 7 Cb -0.14 -3.67 0.15 0.00 1.34 0.00 0.00 72.50 70.19 2k39 s THR 7 CO 0.14 -0.97 1.86 -0.07 -0.54 0.00 0.00 174.62 175.05 2k39 h LEU 8 N -0.50 0.00 0.00 4.79 -0.00 -1.88 0.12 115.31 117.83 2k39 h LEU 8 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 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 0.61 0.31 0.00 0.35 -0.00 0.00 0.00 178.44 179.71 2k39 n THR 9 N -3.84 0.97 0.00 0.22 -2.24 -1.26 -4.88 114.28 103.25 2k39 n THR 9 Ca -0.01 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 2k39 n THR 9 Cb 0.39 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 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 -0.14 0.77 3.69 3.38 0.00 0.03 -5.09 105.19 107.81 2k39 n GLY 10 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.49 4.33 -0.49 1.61 2.20 -1.23 -4.85 119.74 120.83 2k39 s LYS 11 Ca 0.00 1.77 -0.18 0.00 -0.36 0.00 0.00 55.97 57.20 2k39 s LYS 11 Cb 0.00 -3.56 0.06 0.00 -1.51 0.00 0.00 37.83 32.82 2k39 s LYS 11 CO 0.00 -0.49 0.55 0.99 -0.36 0.00 0.00 175.35 176.05 2k39 s THR 12 N 2.26 4.98 -0.06 3.43 2.01 -1.26 -1.36 115.64 125.63 2k39 s THR 12 Ca 0.58 -0.57 -0.23 0.00 0.31 0.00 0.00 61.69 61.78 2k39 s THR 12 Cb -0.27 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 2k39 s THR 12 CO 0.23 -0.70 0.67 -0.63 -0.69 0.00 0.00 174.62 173.51 2k39 s ILE 13 N 2.36 5.03 -0.53 1.82 1.01 -0.56 -4.91 121.20 125.43 2k39 s ILE 13 Ca 0.13 1.39 -0.22 0.00 0.00 0.00 0.00 60.65 61.95 2k39 s ILE 13 Cb -0.20 -4.01 0.05 0.00 0.01 0.00 0.00 42.46 38.31 2k39 s ILE 13 CO 0.11 0.28 0.78 -0.89 0.00 0.00 0.00 174.94 175.22 2k39 s THR 14 N 0.65 4.63 0.13 2.92 2.01 -1.26 -0.95 115.64 123.77 2k39 s THR 14 Ca 0.36 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.31 2k39 s THR 14 Cb -0.18 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 2k39 s THR 14 CO 0.18 -0.96 0.03 -0.22 -0.69 0.00 0.00 174.62 172.96 2k39 s LEU 15 N 3.29 3.51 0.01 4.42 2.96 -0.69 -5.03 118.68 127.16 2k39 s LEU 15 Ca 0.23 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 2k39 s LEU 15 Cb -0.16 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 2k39 s LEU 15 CO 0.16 0.13 0.32 -0.70 -1.32 0.00 0.00 176.35 174.93 2k39 s GLU 16 N -2.66 3.69 0.06 1.98 2.56 -1.26 -2.72 118.70 120.35 2k39 s GLU 16 Ca 0.28 0.10 0.03 0.00 0.00 0.00 0.00 54.97 55.38 2k39 s GLU 16 Cb -0.11 -3.10 -0.03 0.00 2.00 0.00 0.00 34.13 32.90 2k39 s GLU 16 CO 0.20 0.65 -0.10 0.14 -0.56 0.00 0.00 175.26 175.59 2k39 s VAL 17 N -1.24 0.76 0.11 3.70 -7.23 0.60 -4.93 120.40 112.17 2k39 s VAL 17 Ca 0.27 -1.24 -0.18 0.00 -1.81 0.00 0.00 61.98 59.02 2k39 s VAL 17 Cb -0.14 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.86 2k39 s VAL 17 CO 0.14 -0.37 0.57 -0.70 -0.31 0.00 0.00 175.10 174.44 2k39 s GLU 18 N -1.84 4.13 0.65 4.82 2.56 -1.26 -0.08 118.70 127.68 2k39 s GLU 18 Ca -0.05 0.66 0.25 0.00 0.00 0.00 0.00 54.97 55.83 2k39 s GLU 18 Cb -0.09 -3.11 1.34 0.00 2.00 0.00 0.00 34.13 34.27 2k39 s GLU 18 CO 0.01 0.57 1.75 -1.35 -0.56 0.00 0.00 175.26 175.68 2k39 h PRO 19 N 4.14 0.00 -0.14 4.30 0.11 -1.94 -2.41 132.00 136.06 2k39 h PRO 19 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2k39 h PRO 19 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k39 h PRO 19 CO 0.64 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 2k39 n SER 20 N -2.79 3.03 -4.82 -2.05 3.41 -1.26 -2.76 113.62 106.39 2k39 n SER 20 Ca -0.02 -1.97 -0.36 0.00 -0.26 0.00 0.00 58.87 56.27 2k39 n SER 20 Cb 0.47 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.84 7.04 0.46 4.04 2.15 -0.91 -4.78 116.67 122.83 2k39 s ASP 21 Ca 0.32 1.41 -0.02 0.00 0.43 0.00 0.00 52.55 54.69 2k39 s ASP 21 Cb 0.21 -2.42 -0.01 0.00 -0.30 0.00 0.00 42.92 40.40 2k39 s ASP 21 CO 0.31 0.02 0.71 0.42 -0.17 0.00 0.00 175.17 176.46 2k39 s THR 22 N -1.55 4.37 0.14 1.71 -4.23 -1.26 -3.03 115.64 111.79 2k39 s THR 22 Ca 0.44 -0.24 -0.24 0.00 -1.18 0.00 0.00 61.69 60.47 2k39 s THR 22 Cb -0.16 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.03 2k39 s THR 22 CO 0.21 -0.52 1.63 0.40 -0.54 0.00 0.00 174.62 175.80 2k39 h ILE 23 N 0.33 0.41 0.00 2.99 1.08 -1.81 -1.66 117.51 118.85 2k39 h ILE 23 Ca -0.47 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 2k39 h ILE 23 Cb 1.24 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 35.39 2k39 h ILE 23 CO 0.60 0.00 -0.11 -0.08 -0.69 0.00 0.00 178.15 177.87 2k39 h GLU 24 N -0.31 0.00 -0.14 2.37 4.57 -1.88 0.58 114.58 119.77 2k39 h GLU 24 Ca 0.10 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2k39 h GLU 24 Cb 0.46 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2k39 h GLU 24 CO -0.31 0.11 -0.01 -0.97 -1.18 0.00 0.00 179.01 176.64 2k39 h ASN 25 N 0.00 0.25 -0.05 1.04 -1.24 -1.77 -2.88 115.58 110.92 2k39 h ASN 25 Ca -0.00 -0.33 -0.09 0.00 0.71 0.00 0.00 56.30 56.58 2k39 h ASN 25 Cb 1.06 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.03 2k39 h ASN 25 CO 0.01 0.52 -0.25 0.58 -1.29 0.00 0.00 177.43 177.00 2k39 h VAL 26 N -0.03 1.26 -0.29 2.57 2.07 -1.12 -1.07 116.25 119.64 2k39 h VAL 26 Ca 0.04 -1.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 2k39 h VAL 26 Cb 0.40 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2k39 h VAL 26 CO 0.01 0.40 -0.27 0.11 0.02 0.00 0.00 177.57 177.84 2k39 h LYS 27 N 0.42 0.58 0.00 1.57 1.57 0.16 -3.25 116.57 117.63 2k39 h LYS 27 Ca 0.06 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 2k39 h LYS 27 Cb 0.66 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2k39 h LYS 27 CO 0.05 0.79 -0.21 0.00 -0.57 0.00 0.00 179.45 179.51 2k39 h ALA 28 N 1.20 0.88 0.00 3.86 0.00 -1.26 -3.14 119.26 120.81 2k39 h ALA 28 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k39 h ALA 28 Cb 0.72 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k39 h ALA 28 CO 0.06 0.26 -0.01 0.87 0.00 0.00 0.00 179.25 180.42 2k39 h LYS 29 N 0.00 0.00 0.00 0.00 1.57 -1.23 -1.15 116.57 115.76 2k39 h LYS 29 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k39 h LYS 29 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2k39 h LYS 29 CO 0.03 0.01 0.00 0.82 -0.57 0.00 0.00 179.45 179.74 2k39 h ILE 30 N 0.00 0.00 -0.05 1.86 1.08 -1.70 -3.35 117.51 115.35 2k39 h ILE 30 Ca -0.00 -0.43 -0.21 0.00 -0.39 0.00 0.00 64.86 63.84 2k39 h ILE 30 Cb 0.23 1.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 2k39 h ILE 30 CO 0.00 0.00 -0.84 -0.61 -0.69 0.00 0.00 178.15 176.01 2k39 h GLN 31 N 0.00 0.44 -0.53 2.37 4.15 -1.40 0.92 115.11 121.06 2k39 h GLN 31 Ca 0.00 -0.41 0.09 0.00 0.77 0.00 0.00 58.65 59.09 2k39 h GLN 31 Cb 0.43 0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.14 2k39 h GLN 31 CO 0.00 1.06 -0.20 -3.47 -1.93 0.00 0.00 178.83 174.29 2k39 n ASP 32 N -3.80 -0.33 -0.08 -0.69 2.03 -1.26 -1.21 116.55 111.21 2k39 n ASP 32 Ca -0.06 0.93 -0.21 0.00 0.52 0.00 0.00 54.79 55.97 2k39 n ASP 32 Cb 0.77 -0.22 -0.12 0.00 -0.72 0.00 0.00 41.12 40.83 2k39 n ASP 32 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2k39 h LYS 33 N 0.00 0.06 0.00 -0.67 6.56 -1.25 -3.44 116.57 117.82 2k39 h LYS 33 Ca 0.20 -0.09 -0.33 0.00 -1.06 0.00 0.00 60.65 59.36 2k39 h LYS 33 Cb 0.33 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.96 2k39 h LYS 33 CO -0.53 1.05 -2.24 0.39 -2.06 0.00 0.00 179.45 176.05 2k39 n GLU 34 N -4.28 0.79 -0.44 3.15 -0.58 0.13 -5.05 120.64 114.36 2k39 n GLU 34 Ca -0.30 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.51 2k39 n GLU 34 Cb 0.74 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 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 2.23 0.76 3.88 0.62 0.00 -0.35 -5.01 105.19 107.31 2k39 n GLY 35 Ca -0.35 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 5.32 0.37 -0.61 -1.09 -1.26 -5.05 121.20 116.87 2k39 s ILE 36 Ca 0.00 0.29 -0.28 0.00 -2.23 0.00 0.00 60.65 58.42 2k39 s ILE 36 Cb 0.00 -3.54 -0.11 0.00 -1.58 0.00 0.00 42.46 37.23 2k39 s ILE 36 CO 0.00 0.47 1.50 -2.16 -1.23 0.00 0.00 174.94 173.52 2k39 s PRO 37 N -1.44 4.11 0.41 2.79 0.04 -1.26 -4.77 135.00 134.89 2k39 s PRO 37 Ca 0.23 2.57 0.18 0.00 0.04 0.00 0.00 61.00 64.02 2k39 s PRO 37 Cb -0.13 -2.98 0.90 0.00 0.04 0.00 0.00 34.50 32.33 2k39 s PRO 37 CO 0.12 -0.54 1.87 -1.00 0.04 0.00 0.00 177.00 177.49 2k39 h PRO 38 N 3.24 0.00 -0.82 0.56 0.13 -1.90 -0.75 132.00 132.46 2k39 h PRO 38 Ca -0.50 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2k39 h PRO 38 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2k39 h PRO 38 CO 0.66 0.30 0.53 -0.44 -0.23 0.00 0.00 178.00 178.83 2k39 h ASP 39 N 0.00 0.95 0.72 1.44 3.32 -1.96 -3.17 116.42 117.72 2k39 h ASP 39 Ca -0.00 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 2k39 h ASP 39 Cb 0.62 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2k39 h ASP 39 CO 0.04 0.70 -0.68 1.56 -1.72 0.00 0.00 179.24 179.14 2k39 h GLN 40 N 1.12 0.00 -7.06 3.56 4.20 -1.42 -3.45 115.11 112.06 2k39 h GLN 40 Ca 0.30 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.54 2k39 h GLN 40 Cb -0.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.69 2k39 h GLN 40 CO -0.06 0.68 0.38 -0.65 -0.67 0.00 0.00 178.83 178.51 2k39 s GLN 41 N -3.42 3.89 0.07 1.46 -0.21 -1.01 0.13 119.66 120.57 2k39 s GLN 41 Ca -0.01 1.36 0.05 0.00 0.02 0.00 0.00 55.36 56.78 2k39 s GLN 41 Cb 0.12 -2.16 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 2k39 s GLN 41 CO 0.77 -0.36 -0.13 0.50 -2.12 0.00 0.00 175.29 173.95 2k39 s ARG 42 N -3.12 0.78 0.11 2.91 3.52 0.32 -4.84 118.95 118.62 2k39 s ARG 42 Ca 0.66 -0.93 0.10 0.00 -0.13 0.00 0.00 55.73 55.43 2k39 s ARG 42 Cb -0.16 -0.75 -0.04 0.00 -1.56 0.00 0.00 34.95 32.44 2k39 s ARG 42 CO 0.20 0.16 -0.26 -0.48 -0.81 0.00 0.00 175.30 174.11 2k39 s LEU 43 N -1.72 2.28 0.15 -0.88 0.05 -1.26 -0.74 118.68 116.56 2k39 s LEU 43 Ca -0.03 -0.70 0.04 0.00 0.05 0.00 0.00 54.13 53.49 2k39 s LEU 43 Cb -0.10 -1.21 -0.04 0.00 -2.05 0.00 0.00 46.19 42.80 2k39 s LEU 43 CO 0.02 0.19 0.16 -0.63 -0.55 0.00 0.00 176.35 175.53 2k39 s ILE 44 N -1.00 4.65 -0.28 1.48 -1.09 -1.17 -2.32 121.20 121.46 2k39 s ILE 44 Ca 0.13 -0.97 -0.20 0.00 -2.23 0.00 0.00 60.65 57.37 2k39 s ILE 44 Cb -0.10 -3.36 0.09 0.00 -1.58 0.00 0.00 42.46 37.51 2k39 s ILE 44 CO 0.05 -0.08 0.80 0.12 -1.23 0.00 0.00 174.94 174.60 2k39 s PHE 45 N -1.70 -0.81 -0.24 3.97 5.36 -0.90 -3.95 117.98 119.71 2k39 s PHE 45 Ca 0.31 1.77 -0.01 0.00 -0.96 0.00 0.00 56.93 58.04 2k39 s PHE 45 Cb -0.10 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 43.00 2k39 s PHE 45 CO 0.24 -0.40 0.21 0.00 -1.46 0.00 0.00 175.22 173.81 2k39 n ALA 46 N 3.34 -0.28 -1.76 11.12 0.00 -1.26 -3.45 120.51 128.22 2k39 n ALA 46 Ca -0.17 0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 2k39 n ALA 46 Cb 0.57 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.86 1.16 3.83 0.00 0.00 -1.26 -4.94 105.19 103.12 2k39 n GLY 47 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2k39 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 48 N -3.95 1.61 -0.01 1.61 -2.85 -1.22 -5.17 119.74 109.76 2k39 s LYS 48 Ca 0.00 -0.89 -0.14 0.00 -1.00 0.00 0.00 55.97 53.93 2k39 s LYS 48 Cb 0.00 0.55 -0.06 0.00 -2.06 0.00 0.00 37.83 36.26 2k39 s LYS 48 CO 0.00 -0.74 0.39 -0.65 0.10 0.00 0.00 175.35 174.45 2k39 s GLN 49 N -3.70 3.89 0.38 1.78 1.11 -1.26 -2.11 119.66 119.75 2k39 s GLN 49 Ca 0.11 0.37 0.01 0.00 0.01 0.00 0.00 55.36 55.87 2k39 s GLN 49 Cb -0.05 -3.22 -0.02 0.00 -1.01 0.00 0.00 33.01 28.71 2k39 s GLN 49 CO 0.06 0.69 0.59 -0.51 0.01 0.00 0.00 175.29 176.12 2k39 s LEU 50 N -1.03 3.87 -0.00 2.90 1.43 -0.98 -4.99 118.68 119.88 2k39 s LEU 50 Ca 0.23 0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 53.50 2k39 s LEU 50 Cb -0.16 -3.20 0.03 0.00 0.03 0.00 0.00 46.19 42.88 2k39 s LEU 50 CO 0.13 -0.46 0.35 -0.70 0.23 0.00 0.00 176.35 175.90 2k39 s GLU 51 N -4.39 0.75 0.13 1.70 2.12 -1.26 -4.79 118.70 112.96 2k39 s GLU 51 Ca 0.43 -0.22 -0.34 0.00 0.36 0.00 0.00 54.97 55.20 2k39 s GLU 51 Cb -0.10 0.34 -0.17 0.00 0.26 0.00 0.00 34.13 34.46 2k39 s GLU 51 CO 0.36 -0.22 1.04 -3.47 -0.54 0.00 0.00 175.26 172.43 2k39 n ASP 52 N 1.04 0.56 0.00 -1.70 2.03 -1.26 -4.16 116.55 113.07 2k39 n ASP 52 Ca -0.21 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.25 2k39 n ASP 52 Cb 0.57 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k39 n GLY 53 N 1.91 2.89 3.92 0.27 0.00 -1.26 -4.97 105.19 107.95 2k39 n GLY 53 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.53 3.56 0.76 1.61 1.81 -1.26 -4.96 118.95 119.95 2k39 s ARG 54 Ca 0.00 -0.17 -0.11 0.00 -1.72 0.00 0.00 55.73 53.72 2k39 s ARG 54 Cb 0.00 -2.71 0.05 0.00 -0.45 0.00 0.00 34.95 31.84 2k39 s ARG 54 CO 0.00 0.25 1.09 0.95 -0.68 0.00 0.00 175.30 176.91 2k39 s THR 55 N -2.08 3.32 0.31 0.02 -4.23 -1.26 -2.77 115.64 108.95 2k39 s THR 55 Ca 0.41 0.43 0.07 0.00 -1.18 0.00 0.00 61.69 61.42 2k39 s THR 55 Cb -0.11 -3.23 0.34 0.00 1.34 0.00 0.00 72.50 70.84 2k39 s THR 55 CO 0.31 -0.56 1.63 -0.07 -0.54 0.00 0.00 174.62 175.39 2k39 h LEU 56 N -0.93 0.05 -0.42 4.79 3.38 -1.53 -2.32 115.31 118.33 2k39 h LEU 56 Ca -0.46 0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.55 2k39 h LEU 56 Cb 1.26 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 2k39 h LEU 56 CO 0.60 -0.22 -0.56 -1.28 0.09 0.00 0.00 178.44 177.07 2k39 h SER 57 N 0.17 0.76 -0.64 -0.43 0.87 -1.75 -1.98 113.55 110.55 2k39 h SER 57 Ca 0.63 -0.41 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2k39 h SER 57 Cb 1.37 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 63.08 2k39 h SER 57 CO -0.70 1.16 0.42 0.44 -0.53 0.00 0.00 176.83 177.62 2k39 h ASP 58 N 0.52 0.71 -0.64 6.23 3.32 -1.73 -2.13 116.42 122.70 2k39 h ASP 58 Ca 0.01 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2k39 h ASP 58 Cb 1.13 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.50 2k39 h ASP 58 CO 0.11 0.51 0.00 -1.22 -1.72 0.00 0.00 179.24 176.92 2k39 n TYR 59 N -4.45 1.08 -1.90 4.55 4.01 -1.13 -4.98 117.16 114.35 2k39 n TYR 59 Ca 0.07 -0.49 -0.13 0.00 -0.16 0.00 0.00 57.90 57.19 2k39 n TYR 59 Cb 0.06 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 2k39 n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2k39 n ASN 60 N 1.28 -4.28 -4.56 7.72 2.04 -0.78 -4.92 115.26 111.76 2k39 n ASN 60 Ca 0.23 0.12 -0.38 0.00 -0.44 0.00 0.00 54.58 54.12 2k39 n ASN 60 Cb 0.67 -3.25 -0.03 0.00 -2.53 0.00 0.00 39.78 34.63 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2k39 s ILE 61 N -2.59 3.71 0.00 1.53 1.01 -0.99 -4.96 121.20 118.91 2k39 s ILE 61 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.34 2k39 s ILE 61 Cb 0.00 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.80 2k39 s ILE 61 CO 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 174.94 173.35 2k39 n GLN 62 N 9.02 1.04 -1.69 2.79 1.13 -1.26 -4.54 117.38 123.86 2k39 n GLN 62 Ca 0.27 0.00 -0.62 0.00 -1.94 0.00 0.00 57.00 54.71 2k39 n GLN 62 Cb 0.50 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.76 2k39 n GLN 62 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2k39 n LYS 63 N -0.97 0.52 -1.86 -1.09 2.85 -1.26 -3.42 118.16 112.94 2k39 n LYS 63 Ca 0.00 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 2k39 n LYS 63 Cb 0.00 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 32.61 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2k39 n GLU 64 N 4.05 0.00 -3.68 -1.58 4.07 -1.26 -5.08 120.64 117.15 2k39 n GLU 64 Ca 0.27 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 57.00 2k39 n GLU 64 Cb 0.05 -2.62 -0.06 0.00 -0.06 0.00 0.00 31.44 28.75 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2k39 s SER 65 N -2.84 6.55 -0.01 4.31 0.01 -1.22 -5.07 113.70 115.43 2k39 s SER 65 Ca 0.00 0.66 0.07 0.00 1.31 0.00 0.00 55.95 57.99 2k39 s SER 65 Cb 0.00 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.05 2k39 s SER 65 CO 0.00 0.33 -0.23 -0.89 0.41 0.00 0.00 173.24 172.86 2k39 s THR 66 N -0.81 2.37 0.23 1.44 2.01 -1.26 -3.18 115.64 116.45 2k39 s THR 66 Ca 0.18 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.18 2k39 s THR 66 Cb -0.14 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 2k39 s THR 66 CO 0.07 0.53 0.15 -0.76 -0.69 0.00 0.00 174.62 173.92 2k39 s LEU 67 N -0.82 3.71 -0.02 4.42 1.43 0.12 -4.87 118.68 122.65 2k39 s LEU 67 Ca 0.11 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2k39 s LEU 67 Cb -0.10 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2k39 s LEU 67 CO 0.00 -0.01 -0.05 -1.38 0.23 0.00 0.00 176.35 175.14 2k39 s HIS 68 N -2.07 0.61 0.39 0.29 -3.43 -1.25 -0.68 115.29 109.15 2k39 s HIS 68 Ca 0.32 -0.13 -0.10 0.00 -0.80 0.00 0.00 55.06 54.35 2k39 s HIS 68 Cb -0.08 -0.46 -0.06 0.00 -1.43 0.00 0.00 32.58 30.55 2k39 s HIS 68 CO 0.24 -0.07 0.75 -0.51 -2.00 0.00 0.00 174.74 173.15 2k39 s LEU 69 N 0.26 3.85 -0.03 5.38 1.43 -0.81 -3.07 118.68 125.69 2k39 s LEU 69 Ca -0.03 1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 54.16 2k39 s LEU 69 Cb -0.07 -3.98 0.02 0.00 0.03 0.00 0.00 46.19 42.20 2k39 s LEU 69 CO -0.00 -0.38 0.07 -0.69 0.23 0.00 0.00 176.35 175.57 2k39 s VAL 70 N -2.34 -0.04 -0.03 -1.59 1.01 0.08 -4.82 120.40 112.67 2k39 s VAL 70 Ca 0.51 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 2k39 s VAL 70 Cb -0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 2k39 s VAL 70 CO 0.31 0.05 0.46 -0.76 0.00 0.00 0.00 175.10 175.16 2k39 s LEU 71 N 0.73 4.41 -0.37 3.92 1.43 -1.26 -0.52 118.68 127.01 2k39 s LEU 71 Ca -0.06 0.96 -0.19 0.00 -1.03 0.00 0.00 54.13 53.81 2k39 s LEU 71 Cb -0.08 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.47 2k39 s LEU 71 CO -0.03 0.20 0.54 -0.13 0.23 0.00 0.00 176.35 177.16 2k39 s ARG 72 N -0.44 3.52 -1.01 1.70 0.52 0.36 -4.92 118.95 118.67 2k39 s ARG 72 Ca 0.25 -0.22 -0.01 0.00 -0.52 0.00 0.00 55.73 55.23 2k39 s ARG 72 Cb -0.17 -3.85 0.31 0.00 0.52 0.00 0.00 34.95 31.77 2k39 s ARG 72 CO 0.13 -0.74 1.89 1.28 0.02 0.00 0.00 175.30 177.89 2k39 n LEU 73 N 5.86 7.42 -4.90 2.53 4.77 -1.26 -4.70 117.00 126.72 2k39 n LEU 73 Ca -0.04 -5.27 -0.20 0.00 -0.03 0.00 0.00 56.01 50.46 2k39 n LEU 73 Cb 0.49 -1.16 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 2k39 n LEU 73 CO 0.47 2.00 -0.04 -0.13 -1.33 0.00 0.00 177.39 178.37 2k39 s ARG 74 N -4.13 2.87 0.00 3.23 1.81 -1.26 -5.14 118.95 116.33 2k39 s ARG 74 Ca 0.42 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.24 2k39 s ARG 74 Cb 0.23 -2.60 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 2k39 s ARG 74 CO -0.17 0.10 0.00 0.41 -0.68 0.00 0.00 175.30 174.96 2k39 n GLY 75 N -1.45 3.25 0.34 -3.53 0.00 -1.26 -5.07 105.19 97.46 2k39 n GLY 75 Ca -0.02 -1.00 0.04 0.00 0.00 0.00 0.00 46.02 45.05 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93