#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 3.02 -0.01 3.17 -0.21 -1.26 -0.82 119.66 123.55 2k39 s GLN 2 Ca 0.00 -0.86 0.06 0.00 0.02 0.00 0.00 55.36 54.58 2k39 s GLN 2 Cb 0.00 -2.69 -0.02 0.00 1.00 0.00 0.00 33.01 31.30 2k39 s GLN 2 CO 0.00 0.47 -0.19 0.96 -2.12 0.00 0.00 175.29 174.41 2k39 s ILE 3 N -1.84 1.46 0.19 1.08 -4.36 -1.02 0.64 121.20 117.35 2k39 s ILE 3 Ca 0.32 -0.82 -0.29 0.00 -0.26 0.00 0.00 60.65 59.60 2k39 s ILE 3 Cb -0.10 -1.22 -0.08 0.00 1.25 0.00 0.00 42.46 42.31 2k39 s ILE 3 CO 0.25 0.39 0.90 -0.36 0.24 0.00 0.00 174.94 176.35 2k39 s PHE 4 N -0.47 3.93 -0.13 1.37 0.08 -0.66 -1.04 117.98 121.05 2k39 s PHE 4 Ca 0.07 1.81 0.01 0.00 0.12 0.00 0.00 56.93 58.95 2k39 s PHE 4 Cb -0.07 -2.94 0.02 0.00 -0.57 0.00 0.00 43.02 39.46 2k39 s PHE 4 CO -0.00 0.42 -0.17 0.08 -0.10 0.00 0.00 175.22 175.44 2k39 s VAL 5 N -0.90 1.72 -0.03 -0.44 1.01 -0.61 -2.30 120.40 118.85 2k39 s VAL 5 Ca 0.41 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 2k39 s VAL 5 Cb -0.25 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2k39 s VAL 5 CO 0.30 0.48 0.71 -0.75 0.00 0.00 0.00 175.10 175.84 2k39 s LYS 6 N 1.11 4.44 0.49 2.72 2.47 -0.21 -2.60 119.74 128.16 2k39 s LYS 6 Ca -0.02 0.92 0.01 0.00 -1.56 0.00 0.00 55.97 55.32 2k39 s LYS 6 Cb -0.14 -3.42 0.01 0.00 -1.46 0.00 0.00 37.83 32.83 2k39 s LYS 6 CO -0.05 0.15 0.71 0.95 0.16 0.00 0.00 175.35 177.27 2k39 s THR 7 N 0.49 3.35 0.14 3.43 -4.23 -0.64 -2.41 115.64 115.76 2k39 s THR 7 Ca 0.37 -0.60 0.23 0.00 -1.18 0.00 0.00 61.69 60.51 2k39 s THR 7 Cb -0.19 -3.24 0.21 0.00 1.34 0.00 0.00 72.50 70.63 2k39 s THR 7 CO 0.19 -0.16 1.81 -0.07 -0.54 0.00 0.00 174.62 175.85 2k39 h LEU 8 N 0.27 0.00 -1.59 4.79 3.38 -1.88 -3.16 115.31 117.11 2k39 h LEU 8 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2k39 h LEU 8 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2k39 h LEU 8 CO 0.54 0.25 0.00 0.35 0.09 0.00 0.00 178.44 179.67 2k39 n THR 9 N -3.42 0.25 0.00 0.22 -2.24 -1.26 -4.95 114.28 102.87 2k39 n THR 9 Ca 0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2k39 n THR 9 Cb 0.44 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.29 2.86 3.88 3.38 0.00 -1.19 -5.07 105.19 110.34 2k39 n GLY 10 Ca 0.17 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 3.63 -0.46 1.61 -2.85 -1.26 -4.63 119.74 115.78 2k39 s LYS 11 Ca 0.00 0.53 -0.09 0.00 -1.00 0.00 0.00 55.97 55.41 2k39 s LYS 11 Cb 0.00 -2.24 0.11 0.00 -2.06 0.00 0.00 37.83 33.64 2k39 s LYS 11 CO 0.00 -0.33 0.32 0.99 0.10 0.00 0.00 175.35 176.43 2k39 s THR 12 N -2.86 4.21 0.34 3.79 2.01 -1.26 -1.62 115.64 120.24 2k39 s THR 12 Ca 0.52 -1.69 -0.28 0.00 0.31 0.00 0.00 61.69 60.55 2k39 s THR 12 Cb -0.11 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 68.58 2k39 s THR 12 CO 0.45 -0.71 1.27 0.27 -0.69 0.00 0.00 174.62 175.21 2k39 s ILE 13 N 1.38 2.85 -0.26 1.82 -4.36 -1.07 -4.91 121.20 116.64 2k39 s ILE 13 Ca 0.05 0.84 -0.13 0.00 -0.26 0.00 0.00 60.65 61.15 2k39 s ILE 13 Cb -0.25 -3.53 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 2k39 s ILE 13 CO -0.00 0.19 0.28 -0.89 0.24 0.00 0.00 174.94 174.76 2k39 s THR 14 N -1.17 5.25 0.21 8.37 2.01 -1.26 -1.58 115.64 127.46 2k39 s THR 14 Ca 0.50 0.39 -0.17 0.00 0.31 0.00 0.00 61.69 62.71 2k39 s THR 14 Cb -0.38 -3.62 -0.08 0.00 0.01 0.00 0.00 72.50 68.44 2k39 s THR 14 CO 0.50 0.22 0.67 -0.76 -0.69 0.00 0.00 174.62 174.56 2k39 s LEU 15 N 1.78 4.31 -0.36 4.42 2.01 -0.21 -4.99 118.68 125.64 2k39 s LEU 15 Ca 0.12 1.29 -0.13 0.00 0.01 0.00 0.00 54.13 55.41 2k39 s LEU 15 Cb -0.16 -3.54 -0.00 0.00 0.01 0.00 0.00 46.19 42.50 2k39 s LEU 15 CO 0.10 0.03 0.25 -1.61 1.01 0.00 0.00 176.35 176.12 2k39 s GLU 16 N -2.09 3.26 0.06 1.70 0.41 -1.26 -2.43 118.70 118.33 2k39 s GLU 16 Ca 0.43 -0.81 0.02 0.00 -0.41 0.00 0.00 54.97 54.19 2k39 s GLU 16 Cb -0.15 -3.84 -0.03 0.00 -1.78 0.00 0.00 34.13 28.32 2k39 s GLU 16 CO 0.20 -0.57 -0.06 0.14 -0.49 0.00 0.00 175.26 174.48 2k39 s VAL 17 N 1.69 0.51 0.11 2.63 -7.23 0.00 -4.99 120.40 113.12 2k39 s VAL 17 Ca 0.05 -1.40 0.10 0.00 -1.81 0.00 0.00 61.98 58.92 2k39 s VAL 17 Cb -0.18 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2k39 s VAL 17 CO 0.10 -0.61 -0.23 -1.61 -0.31 0.00 0.00 175.10 172.44 2k39 s GLU 18 N -2.49 1.62 0.26 4.82 0.41 -1.26 -0.14 118.70 121.92 2k39 s GLU 18 Ca -0.02 -1.24 -0.03 0.00 -0.41 0.00 0.00 54.97 53.27 2k39 s GLU 18 Cb -0.04 -2.01 0.40 0.00 -1.78 0.00 0.00 34.13 30.70 2k39 s GLU 18 CO -0.02 0.47 1.87 -1.00 -0.49 0.00 0.00 175.26 176.09 2k39 h PRO 19 N 3.92 1.10 -0.00 0.39 0.13 -1.95 -3.16 132.00 132.43 2k39 h PRO 19 Ca -0.50 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2k39 h PRO 19 Cb 1.17 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2k39 h PRO 19 CO 0.43 0.73 -0.00 -1.13 -0.23 0.00 0.00 178.00 177.79 2k39 n SER 20 N -4.53 0.02 -4.75 1.44 3.41 -1.26 -1.70 113.62 106.25 2k39 n SER 20 Ca 0.15 -0.70 -0.40 0.00 -0.26 0.00 0.00 58.87 57.66 2k39 n SER 20 Cb 0.19 -0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 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 7.60 -0.11 4.04 2.15 -1.20 -4.88 116.67 122.07 2k39 s ASP 21 Ca 0.41 1.94 -0.25 0.00 0.43 0.00 0.00 52.55 55.07 2k39 s ASP 21 Cb 0.21 -2.61 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 2k39 s ASP 21 CO 0.40 0.10 0.80 0.28 -0.17 0.00 0.00 175.17 176.58 2k39 s THR 22 N -0.95 4.95 0.19 1.71 -1.32 -1.26 -3.19 115.64 115.77 2k39 s THR 22 Ca 0.42 1.61 0.09 0.00 -1.21 0.00 0.00 61.69 62.60 2k39 s THR 22 Cb -0.26 -4.12 0.19 0.00 -1.51 0.00 0.00 72.50 66.81 2k39 s THR 22 CO 0.32 0.13 0.84 -0.38 -2.21 0.00 0.00 174.62 173.32 2k39 n ILE 23 N 4.25 -0.22 -0.01 5.08 2.08 0.12 -0.13 119.36 130.53 2k39 n ILE 23 Ca 0.02 1.09 0.02 0.00 0.56 0.00 0.00 62.75 64.45 2k39 n ILE 23 Cb 0.50 -1.74 0.36 0.00 -0.75 0.00 0.00 39.64 38.01 2k39 n ILE 23 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 2k39 h GLU 24 N 0.00 0.56 0.00 0.38 4.11 -1.85 -1.12 114.58 116.65 2k39 h GLU 24 Ca 0.42 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.79 2k39 h GLU 24 Cb 1.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2k39 h GLU 24 CO -0.43 0.46 0.00 -0.97 0.07 0.00 0.00 179.01 178.14 2k39 h ASN 25 N 0.56 0.00 0.42 3.06 -1.24 -0.92 -1.82 115.58 115.63 2k39 h ASN 25 Ca 0.14 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.84 2k39 h ASN 25 Cb 0.10 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 2k39 h ASN 25 CO -0.02 0.00 -1.63 0.58 -1.29 0.00 0.00 177.43 175.07 2k39 h VAL 26 N 0.00 1.02 -0.40 2.57 2.07 -1.32 -2.69 116.25 117.50 2k39 h VAL 26 Ca 0.00 -2.72 -0.02 0.00 0.82 0.00 0.00 66.70 64.79 2k39 h VAL 26 Cb 0.51 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 2k39 h VAL 26 CO 0.00 0.78 0.18 0.11 0.02 0.00 0.00 177.57 178.65 2k39 h LYS 27 N 0.05 0.58 -0.54 1.57 1.57 -1.26 -0.61 116.57 117.93 2k39 h LYS 27 Ca -0.28 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.48 2k39 h LYS 27 Cb 2.01 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 34.19 2k39 h LYS 27 CO 0.13 0.53 0.36 0.00 -0.57 0.00 0.00 179.45 179.90 2k39 h ALA 28 N 1.02 1.90 -0.12 3.86 0.00 -1.43 -2.27 119.26 122.22 2k39 h ALA 28 Ca 0.13 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 2k39 h ALA 28 Cb 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k39 h ALA 28 CO -0.01 -0.00 -0.75 -0.22 0.00 0.00 0.00 179.25 178.27 2k39 h LYS 29 N 0.47 0.73 -0.35 0.00 3.64 -0.95 -1.16 116.57 118.95 2k39 h LYS 29 Ca 0.24 -0.62 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 2k39 h LYS 29 Cb 0.34 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2k39 h LYS 29 CO -0.06 1.22 0.15 0.82 -2.27 0.00 0.00 179.45 179.31 2k39 h ILE 30 N 0.43 1.13 -0.21 2.00 2.04 -0.89 -2.81 117.51 119.21 2k39 h ILE 30 Ca -0.06 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 2k39 h ILE 30 Cb 1.39 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2k39 h ILE 30 CO 0.15 0.16 -0.18 -0.61 0.00 0.00 0.00 178.15 177.67 2k39 h GLN 31 N 0.49 0.49 0.00 2.37 4.15 -1.27 -0.75 115.11 120.59 2k39 h GLN 31 Ca 0.12 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.30 2k39 h GLN 31 Cb 0.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.78 2k39 h GLN 31 CO -0.01 0.82 0.00 -3.47 -1.93 0.00 0.00 178.83 174.23 2k39 n ASP 32 N -4.46 0.00 0.00 -0.69 2.03 -0.45 -1.82 116.55 111.16 2k39 n ASP 32 Ca -0.05 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2k39 n ASP 32 Cb 0.39 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 2k39 n ASP 32 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k39 n LYS 33 N -1.27 0.00 0.00 -0.67 5.02 -1.07 -4.93 118.16 115.24 2k39 n LYS 33 Ca 0.03 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.44 2k39 n LYS 33 Cb 0.04 -0.04 0.23 0.00 -0.02 0.00 0.00 35.03 35.24 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 -1.73 1.66 -0.40 1.97 -0.58 -0.31 -5.00 120.64 116.25 2k39 n GLU 34 Ca 0.00 -1.24 0.00 0.00 -0.42 0.00 0.00 57.16 55.50 2k39 n GLU 34 Cb 0.00 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 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 1.32 0.74 3.61 0.62 0.00 -0.76 -4.99 105.19 105.73 2k39 n GLY 35 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.53 4.05 0.15 -0.61 1.01 -1.26 -4.95 121.20 117.07 2k39 s ILE 36 Ca 0.00 1.12 -0.34 0.00 0.00 0.00 0.00 60.65 61.42 2k39 s ILE 36 Cb 0.00 -4.28 -0.15 0.00 0.01 0.00 0.00 42.46 38.04 2k39 s ILE 36 CO 0.00 -0.72 1.41 -0.81 0.00 0.00 0.00 174.94 174.82 2k39 n PRO 37 N 7.77 1.65 -0.45 2.79 -0.04 -1.26 -4.11 135.00 141.35 2k39 n PRO 37 Ca 0.15 0.59 0.38 0.00 -0.04 0.00 0.00 63.50 64.58 2k39 n PRO 37 Cb 0.48 -2.27 0.64 0.00 -0.04 0.00 0.00 33.50 32.31 2k39 n PRO 37 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2k39 n PRO 38 N 2.67 -0.03 0.08 0.54 -0.02 -1.26 -2.04 135.00 134.94 2k39 n PRO 38 Ca 0.16 1.17 0.10 0.00 -2.02 0.00 0.00 63.50 62.92 2k39 n PRO 38 Cb 0.25 -2.32 0.42 0.00 -0.02 0.00 0.00 33.50 31.84 2k39 n PRO 38 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2k39 n ASP 39 N -4.57 0.43 -0.25 2.55 5.75 -1.26 -0.88 116.55 118.32 2k39 n ASP 39 Ca 0.38 0.61 0.12 0.00 -0.01 0.00 0.00 54.79 55.89 2k39 n ASP 39 Cb 1.48 -0.70 0.28 0.00 -1.03 0.00 0.00 41.12 41.16 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 -1.97 0.78 -3.68 0.11 6.02 -0.87 -4.69 117.38 113.07 2k39 n GLN 40 Ca 0.02 -0.50 -0.39 0.00 -0.01 0.00 0.00 57.00 56.12 2k39 n GLN 40 Cb 0.20 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.86 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 -2.57 2.59 -0.07 -1.09 -0.21 -0.06 -3.77 119.66 114.48 2k39 s GLN 41 Ca 0.21 -1.32 -0.17 0.00 0.02 0.00 0.00 55.36 54.10 2k39 s GLN 41 Cb 0.19 -3.61 -0.05 0.00 1.00 0.00 0.00 33.01 30.54 2k39 s GLN 41 CO 0.56 -0.80 0.46 0.50 -2.12 0.00 0.00 175.29 173.89 2k39 s ARG 42 N 1.41 4.22 0.02 2.91 3.52 0.60 -4.91 118.95 126.72 2k39 s ARG 42 Ca 0.01 0.46 0.05 0.00 -0.13 0.00 0.00 55.73 56.12 2k39 s ARG 42 Cb -0.21 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 2k39 s ARG 42 CO 0.02 0.34 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.22 2k39 s LEU 43 N 0.03 2.90 -0.02 -0.88 1.43 -1.26 -0.94 118.68 119.95 2k39 s LEU 43 Ca 0.25 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2k39 s LEU 43 Cb -0.16 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2k39 s LEU 43 CO 0.12 0.27 -0.09 -0.63 0.23 0.00 0.00 176.35 176.24 2k39 s ILE 44 N -0.97 0.80 -0.13 -0.59 -1.09 0.35 -2.82 121.20 116.74 2k39 s ILE 44 Ca 0.16 -0.38 -0.04 0.00 -2.23 0.00 0.00 60.65 58.16 2k39 s ILE 44 Cb -0.11 -0.70 0.07 0.00 -1.58 0.00 0.00 42.46 40.14 2k39 s ILE 44 CO 0.07 0.25 0.22 0.12 -1.23 0.00 0.00 174.94 174.36 2k39 s PHE 45 N 0.13 -0.31 0.00 3.97 5.36 -1.22 -0.43 117.98 125.48 2k39 s PHE 45 Ca -0.02 0.66 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 2k39 s PHE 45 Cb -0.08 -0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.41 2k39 s PHE 45 CO 0.00 -0.39 0.00 0.00 -1.46 0.00 0.00 175.22 173.37 2k39 n ALA 46 N 5.33 0.00 -0.74 11.12 0.00 -1.26 -1.05 120.51 133.92 2k39 n ALA 46 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k39 n ALA 46 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.30 3.69 0.00 0.00 -1.26 -5.07 105.19 102.25 2k39 n GLY 47 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.48 4.35 -0.60 1.61 1.02 -0.22 -5.02 119.74 120.40 2k39 s LYS 48 Ca 0.02 0.82 -0.27 0.00 0.02 0.00 0.00 55.97 56.55 2k39 s LYS 48 Cb 0.01 -3.51 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2k39 s LYS 48 CO 0.00 -0.09 1.51 -0.65 -0.92 0.00 0.00 175.35 175.21 2k39 s GLN 49 N 1.35 3.11 -0.05 1.68 1.11 -1.26 -3.40 119.66 122.20 2k39 s GLN 49 Ca 0.35 0.39 -0.30 0.00 0.01 0.00 0.00 55.36 55.81 2k39 s GLN 49 Cb -0.17 -4.20 -0.07 0.00 -1.01 0.00 0.00 33.01 27.56 2k39 s GLN 49 CO 0.15 -2.18 1.91 -0.51 0.01 0.00 0.00 175.29 174.67 2k39 s LEU 50 N 6.78 4.21 0.17 2.90 1.43 -1.13 -5.00 118.68 128.04 2k39 s LEU 50 Ca 0.53 2.36 -0.14 0.00 -1.03 0.00 0.00 54.13 55.86 2k39 s LEU 50 Cb -0.11 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 2k39 s LEU 50 CO 0.22 -1.19 0.57 -0.70 0.23 0.00 0.00 176.35 175.48 2k39 s GLU 51 N 4.69 3.99 -0.20 1.70 2.12 -1.26 -4.73 118.70 125.02 2k39 s GLU 51 Ca 0.86 0.51 -0.29 0.00 0.36 0.00 0.00 54.97 56.41 2k39 s GLU 51 Cb -0.38 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 2k39 s GLU 51 CO 0.37 0.45 1.35 -0.51 -0.54 0.00 0.00 175.26 176.38 2k39 s ASP 52 N -1.78 6.78 0.00 -1.70 1.11 -1.26 -2.65 116.67 117.17 2k39 s ASP 52 Ca 0.40 1.61 0.00 0.00 0.18 0.00 0.00 52.55 54.73 2k39 s ASP 52 Cb -0.15 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.31 2k39 s ASP 52 CO 0.19 -0.92 0.00 0.61 1.18 0.00 0.00 175.17 176.24 2k39 n GLY 53 N 3.96 2.20 3.85 0.21 0.00 -1.26 -4.98 105.19 109.17 2k39 n GLY 53 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.30 3.98 0.49 1.61 0.52 -1.09 -4.76 118.95 119.41 2k39 s ARG 54 Ca 0.00 0.59 0.04 0.00 -0.52 0.00 0.00 55.73 55.84 2k39 s ARG 54 Cb 0.00 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 32.97 2k39 s ARG 54 CO 0.00 0.22 0.68 0.95 0.02 0.00 0.00 175.30 177.17 2k39 s THR 55 N -1.90 2.96 0.33 0.02 -4.23 -1.26 -0.70 115.64 110.85 2k39 s THR 55 Ca 0.51 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 2k39 s THR 55 Cb -0.11 -3.06 0.21 0.00 1.34 0.00 0.00 72.50 70.88 2k39 s THR 55 CO 0.18 -0.04 1.94 -0.07 -0.54 0.00 0.00 174.62 176.09 2k39 h LEU 56 N 0.32 0.69 -0.67 4.79 3.38 -1.54 -2.29 115.31 119.99 2k39 h LEU 56 Ca -0.42 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.37 2k39 h LEU 56 Cb 1.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2k39 h LEU 56 CO 0.50 0.60 -0.23 -1.28 0.09 0.00 0.00 178.44 178.12 2k39 h SER 57 N 0.77 0.81 -0.10 -0.43 0.87 -1.56 0.21 113.55 114.12 2k39 h SER 57 Ca 0.19 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2k39 h SER 57 Cb 0.09 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2k39 h SER 57 CO -0.02 1.01 0.05 0.44 -0.53 0.00 0.00 176.83 177.77 2k39 h ASP 58 N 0.69 0.13 -0.05 6.23 3.32 -1.71 -2.38 116.42 122.65 2k39 h ASP 58 Ca 0.09 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2k39 h ASP 58 Cb 0.74 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2k39 h ASP 58 CO 0.06 0.22 0.00 -1.22 -1.72 0.00 0.00 179.24 176.58 2k39 n TYR 59 N -4.95 0.06 -1.63 4.55 4.01 -1.05 -4.96 117.16 113.21 2k39 n TYR 59 Ca -0.06 -0.03 -0.18 0.00 -0.16 0.00 0.00 57.90 57.47 2k39 n TYR 59 Cb 0.09 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.05 2k39 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2k39 n ASN 60 N -0.42 -5.16 -4.78 7.72 3.02 0.55 -4.97 115.26 111.22 2k39 n ASN 60 Ca 0.07 0.38 -0.37 0.00 -0.03 0.00 0.00 54.58 54.63 2k39 n ASN 60 Cb 0.07 -4.23 -0.05 0.00 -0.61 0.00 0.00 39.78 34.97 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k39 s ILE 61 N -2.69 3.88 0.29 2.41 1.01 -0.15 -4.98 121.20 120.96 2k39 s ILE 61 Ca 0.00 1.50 0.04 0.00 0.00 0.00 0.00 60.65 62.19 2k39 s ILE 61 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2k39 s ILE 61 CO 0.00 0.07 0.15 0.00 0.00 0.00 0.00 174.94 175.16 2k39 n GLN 62 N 0.21 0.52 -1.70 2.79 10.64 -1.26 -4.51 117.38 124.07 2k39 n GLN 62 Ca 0.04 -2.61 -0.44 0.00 -1.83 0.00 0.00 57.00 52.15 2k39 n GLN 62 Cb 0.49 1.71 -0.03 0.00 -0.86 0.00 0.00 30.24 31.55 2k39 n GLN 62 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2k39 n LYS 63 N -0.62 2.38 -2.75 2.61 2.85 -1.26 -4.07 118.16 117.31 2k39 n LYS 63 Ca -0.00 0.85 -0.09 0.00 -1.05 0.00 0.00 58.31 58.02 2k39 n LYS 63 Cb 0.47 -2.61 0.04 0.00 -0.65 0.00 0.00 35.03 32.28 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 2.83 -3.30 -4.36 -1.58 2.13 0.21 -4.94 120.64 111.63 2k39 n GLU 64 Ca 0.13 0.40 -0.28 0.00 0.66 0.00 0.00 57.16 58.08 2k39 n GLU 64 Cb 0.33 -4.11 -0.11 0.00 0.27 0.00 0.00 31.44 27.81 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 -3.56 3.71 -0.27 4.31 0.01 -1.26 -4.94 113.70 111.70 2k39 s SER 65 Ca 0.05 -0.72 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 2k39 s SER 65 Cb -0.02 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.78 2k39 s SER 65 CO 0.35 0.14 0.06 -0.89 0.41 0.00 0.00 173.24 173.30 2k39 s THR 66 N -1.48 3.96 0.22 1.44 2.01 -1.26 -1.65 115.64 118.88 2k39 s THR 66 Ca 0.20 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.74 2k39 s THR 66 Cb -0.09 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2k39 s THR 66 CO 0.11 0.20 0.18 -0.76 -0.69 0.00 0.00 174.62 173.66 2k39 s LEU 67 N 1.53 3.83 -0.23 4.42 1.02 -0.97 -4.76 118.68 123.51 2k39 s LEU 67 Ca 0.04 -0.20 -0.09 0.00 0.02 0.00 0.00 54.13 53.90 2k39 s LEU 67 Cb -0.16 -2.38 -0.04 0.00 0.02 0.00 0.00 46.19 43.63 2k39 s LEU 67 CO 0.02 -0.00 0.10 -1.00 0.02 0.00 0.00 176.35 175.49 2k39 s HIS 68 N -2.00 3.20 -0.39 0.29 3.76 0.43 -1.04 115.29 119.54 2k39 s HIS 68 Ca 0.32 -0.06 -0.28 0.00 -0.15 0.00 0.00 55.06 54.89 2k39 s HIS 68 Cb -0.09 -2.22 0.02 0.00 1.11 0.00 0.00 32.58 31.40 2k39 s HIS 68 CO 0.25 -0.10 1.03 -1.17 -0.85 0.00 0.00 174.74 173.90 2k39 s LEU 69 N 1.17 3.88 0.05 0.89 2.96 -1.01 -0.50 118.68 126.11 2k39 s LEU 69 Ca 0.05 0.68 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 2k39 s LEU 69 Cb -0.14 -3.43 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 2k39 s LEU 69 CO 0.04 -0.98 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.32 2k39 s VAL 70 N 3.81 0.57 0.15 1.68 1.01 -0.11 -4.17 120.40 123.33 2k39 s VAL 70 Ca 0.43 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 2k39 s VAL 70 Cb -0.11 -0.70 -0.07 0.00 0.00 0.00 0.00 36.38 35.51 2k39 s VAL 70 CO 0.22 -0.41 1.02 -0.76 0.00 0.00 0.00 175.10 175.16 2k39 s LEU 71 N -1.69 4.50 -0.03 3.92 1.43 -1.26 -0.29 118.68 125.27 2k39 s LEU 71 Ca -0.08 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 54.77 2k39 s LEU 71 Cb -0.09 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 2k39 s LEU 71 CO 0.00 -0.12 0.48 -0.60 0.23 0.00 0.00 176.35 176.34 2k39 s ARG 72 N -0.21 4.17 0.00 1.70 3.52 -1.25 -4.81 118.95 122.08 2k39 s ARG 72 Ca 0.48 0.51 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 2k39 s ARG 72 Cb -0.26 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 2k39 s ARG 72 CO 0.32 0.45 0.00 1.28 -0.81 0.00 0.00 175.30 176.54 2k39 n LEU 73 N 2.60 0.00 -4.01 -0.88 4.77 -1.26 -4.78 117.00 113.44 2k39 n LEU 73 Ca -0.10 -0.22 -0.30 0.00 -0.03 0.00 0.00 56.01 55.36 2k39 n LEU 73 Cb 0.52 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.44 2k39 n LEU 73 CO 0.41 0.00 -0.48 0.00 -1.33 0.00 0.00 177.39 175.99 2k39 s ARG 74 N -0.97 2.21 0.00 3.23 1.70 -1.26 -5.06 118.95 118.80 2k39 s ARG 74 Ca 0.00 -0.60 0.00 0.00 -0.47 0.00 0.00 55.73 54.66 2k39 s ARG 74 Cb 0.00 -2.15 0.00 0.00 -0.57 0.00 0.00 34.95 32.23 2k39 s ARG 74 CO 0.00 -0.28 0.00 0.41 -1.08 0.00 0.00 175.30 174.35 2k39 n GLY 75 N 4.76 2.74 0.00 3.88 0.00 -1.26 -5.22 105.19 110.08 2k39 n GLY 75 Ca -0.16 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93