#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 3.88 -0.00 2.12 -0.21 -1.26 -1.55 119.66 122.64 2k39 s GLN 2 Ca 0.00 -0.39 0.03 0.00 0.02 0.00 0.00 55.36 55.02 2k39 s GLN 2 Cb 0.00 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 30.87 2k39 s GLN 2 CO 0.00 0.28 -0.09 0.96 -2.12 0.00 0.00 175.29 174.32 2k39 s ILE 3 N 0.33 0.73 0.17 1.08 -4.36 -0.84 -0.90 121.20 117.41 2k39 s ILE 3 Ca 0.01 -0.46 -0.08 0.00 -0.26 0.00 0.00 60.65 59.87 2k39 s ILE 3 Cb -0.13 -0.62 -0.06 0.00 1.25 0.00 0.00 42.46 42.90 2k39 s ILE 3 CO 0.01 0.16 0.46 -0.36 0.24 0.00 0.00 174.94 175.44 2k39 s PHE 4 N -0.31 3.48 -0.04 1.37 0.08 -0.03 0.62 117.98 123.15 2k39 s PHE 4 Ca 0.03 0.74 -0.00 0.00 0.12 0.00 0.00 56.93 57.82 2k39 s PHE 4 Cb -0.04 -2.15 0.03 0.00 -0.57 0.00 0.00 43.02 40.29 2k39 s PHE 4 CO -0.00 0.39 0.01 0.08 -0.10 0.00 0.00 175.22 175.59 2k39 s VAL 5 N -1.66 0.18 -0.41 -0.44 1.01 -0.63 -1.23 120.40 117.22 2k39 s VAL 5 Ca 0.42 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.30 2k39 s VAL 5 Cb -0.12 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 35.96 2k39 s VAL 5 CO 0.22 0.17 0.81 -0.54 0.00 0.00 0.00 175.10 175.77 2k39 s LYS 6 N 1.36 3.61 0.77 2.72 -0.14 -0.16 -1.45 119.74 126.45 2k39 s LYS 6 Ca -0.05 0.17 -0.14 0.00 -1.36 0.00 0.00 55.97 54.59 2k39 s LYS 6 Cb -0.13 -3.87 0.06 0.00 -1.68 0.00 0.00 37.83 32.21 2k39 s LYS 6 CO -0.02 -1.00 1.19 0.95 -0.76 0.00 0.00 175.35 175.70 2k39 s THR 7 N 3.29 2.34 0.33 2.17 -4.23 0.30 -1.18 115.64 118.66 2k39 s THR 7 Ca 0.32 0.15 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 2k39 s THR 7 Cb -0.12 -2.61 0.22 0.00 1.34 0.00 0.00 72.50 71.32 2k39 s THR 7 CO 0.20 -0.11 1.94 0.25 -0.54 0.00 0.00 174.62 176.37 2k39 h LEU 8 N -0.64 0.71 -1.26 4.79 5.85 -1.81 -1.97 115.31 120.98 2k39 h LEU 8 Ca -0.46 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2k39 h LEU 8 Cb 1.29 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2k39 h LEU 8 CO 0.48 0.60 0.00 0.35 -0.34 0.00 0.00 178.44 179.53 2k39 n THR 9 N -4.37 0.00 0.00 1.05 -2.24 -1.26 -4.98 114.28 102.48 2k39 n THR 9 Ca 0.05 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2k39 n THR 9 Cb 0.12 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 1.23 1.71 3.86 3.38 0.00 -0.74 -5.12 105.19 109.51 2k39 n GLY 10 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.02 3.91 -0.08 1.61 2.20 -1.26 -4.84 119.74 121.26 2k39 s LYS 11 Ca 0.00 0.65 0.01 0.00 -0.36 0.00 0.00 55.97 56.27 2k39 s LYS 11 Cb 0.00 -2.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.93 2k39 s LYS 11 CO 0.00 0.01 -0.11 0.99 -0.36 0.00 0.00 175.35 175.88 2k39 s THR 12 N -2.24 3.36 -0.11 3.43 2.01 -1.26 -0.54 115.64 120.28 2k39 s THR 12 Ca 0.54 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.96 2k39 s THR 12 Cb -0.10 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.02 2k39 s THR 12 CO 0.25 0.57 -0.15 0.27 -0.69 0.00 0.00 174.62 174.87 2k39 s ILE 13 N -0.44 2.90 -0.10 1.82 -4.36 -0.53 -4.98 121.20 115.51 2k39 s ILE 13 Ca 0.06 -0.73 -0.19 0.00 -0.26 0.00 0.00 60.65 59.53 2k39 s ILE 13 Cb -0.12 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 2k39 s ILE 13 CO 0.02 0.54 0.51 -0.89 0.24 0.00 0.00 174.94 175.36 2k39 s THR 14 N 0.17 5.15 -0.06 8.37 2.01 -1.26 -1.61 115.64 128.41 2k39 s THR 14 Ca -0.08 1.04 0.05 0.00 0.31 0.00 0.00 61.69 63.00 2k39 s THR 14 Cb -0.15 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 2k39 s THR 14 CO 0.05 0.33 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.89 2k39 s LEU 15 N 0.56 2.37 0.07 4.42 2.96 0.20 -4.96 118.68 124.31 2k39 s LEU 15 Ca 0.28 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 2k39 s LEU 15 Cb -0.16 -1.46 -0.06 0.00 0.50 0.00 0.00 46.19 45.02 2k39 s LEU 15 CO 0.12 0.29 0.40 -0.70 -1.32 0.00 0.00 176.35 175.13 2k39 s GLU 16 N -0.39 3.77 0.28 1.98 2.56 -1.26 -1.98 118.70 123.66 2k39 s GLU 16 Ca 0.04 0.20 -0.10 0.00 0.00 0.00 0.00 54.97 55.10 2k39 s GLU 16 Cb -0.12 -3.02 0.04 0.00 2.00 0.00 0.00 34.13 33.02 2k39 s GLU 16 CO 0.02 0.58 0.55 1.33 -0.56 0.00 0.00 175.26 177.18 2k39 n VAL 17 N 1.02 0.00 -4.15 3.70 0.24 -0.60 -5.01 118.33 113.53 2k39 n VAL 17 Ca -0.09 -0.77 -0.15 0.00 -2.04 0.00 0.00 64.34 61.29 2k39 n VAL 17 Cb 0.52 0.72 -0.11 0.00 -1.47 0.00 0.00 33.84 33.50 2k39 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2k39 s GLU 18 N -2.11 0.78 0.61 7.34 0.41 -1.26 -0.38 118.70 124.08 2k39 s GLU 18 Ca 0.12 -1.04 0.27 0.00 -0.41 0.00 0.00 54.97 53.91 2k39 s GLU 18 Cb -0.03 -0.55 1.31 0.00 -1.78 0.00 0.00 34.13 33.08 2k39 s GLU 18 CO 0.09 0.10 1.73 -1.35 -0.49 0.00 0.00 175.26 175.34 2k39 h PRO 19 N 3.90 0.00 0.00 0.39 0.11 -1.95 -2.21 132.00 132.24 2k39 h PRO 19 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2k39 h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k39 h PRO 19 CO 0.48 0.00 -0.25 -1.13 -0.21 0.00 0.00 178.00 176.88 2k39 n SER 20 N -3.40 0.34 -4.72 -2.05 3.41 -1.26 -0.94 113.62 105.00 2k39 n SER 20 Ca 0.09 0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.48 2k39 n SER 20 Cb 0.81 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 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 -3.30 6.80 0.66 4.04 1.11 -0.83 -4.82 116.67 120.33 2k39 s ASP 21 Ca 0.12 2.41 -0.09 0.00 0.18 0.00 0.00 52.55 55.17 2k39 s ASP 21 Cb 0.17 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.58 2k39 s ASP 21 CO 0.62 -0.64 1.02 0.42 1.18 0.00 0.00 175.17 177.77 2k39 s THR 22 N 0.72 3.55 0.49 -1.27 -4.23 -1.26 -1.37 115.64 112.27 2k39 s THR 22 Ca 0.62 0.29 0.14 0.00 -1.18 0.00 0.00 61.69 61.57 2k39 s THR 22 Cb -0.38 -3.47 0.28 0.00 1.34 0.00 0.00 72.50 70.27 2k39 s THR 22 CO 0.34 -0.56 2.11 0.40 -0.54 0.00 0.00 174.62 176.37 2k39 h ILE 23 N -0.47 1.01 0.00 2.99 1.08 -1.34 -0.93 117.51 119.86 2k39 h ILE 23 Ca -0.45 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 2k39 h ILE 23 Cb 1.25 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.83 2k39 h ILE 23 CO 0.63 0.03 0.00 -0.33 -0.69 0.00 0.00 178.15 177.79 2k39 h GLU 24 N 0.17 0.00 0.00 2.37 5.08 -1.88 -2.72 114.58 117.60 2k39 h GLU 24 Ca 0.06 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.12 2k39 h GLU 24 Cb 0.05 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 2k39 h GLU 24 CO -0.01 0.00 -2.22 -1.71 -1.00 0.00 0.00 179.01 174.07 2k39 n ASN 25 N -2.56 0.14 0.17 1.42 2.85 -0.46 -3.85 115.26 112.97 2k39 n ASN 25 Ca 0.03 0.06 -0.17 0.00 -0.11 0.00 0.00 54.58 54.40 2k39 n ASN 25 Cb 0.34 0.96 -0.09 0.00 1.24 0.00 0.00 39.78 42.23 2k39 n ASN 25 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2k39 h VAL 26 N 0.00 0.03 -0.88 3.44 2.07 -0.97 -2.60 116.25 117.34 2k39 h VAL 26 Ca -0.44 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.21 2k39 h VAL 26 Cb 2.04 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 31.76 2k39 h VAL 26 CO 0.03 0.00 0.50 0.07 0.02 0.00 0.00 177.57 178.20 2k39 h LYS 27 N -0.81 0.76 -0.96 1.57 2.10 -1.71 -1.94 116.57 115.57 2k39 h LYS 27 Ca -0.02 -0.05 0.11 0.00 -2.00 0.00 0.00 60.65 58.70 2k39 h LYS 27 Cb 0.78 -0.17 -0.08 0.00 -0.90 0.00 0.00 32.23 31.86 2k39 h LYS 27 CO -0.22 0.50 0.60 0.00 -2.00 0.00 0.00 179.45 178.33 2k39 h ALA 28 N 1.52 1.43 0.00 0.07 0.00 -1.58 -1.44 119.26 119.25 2k39 h ALA 28 Ca 0.45 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.23 2k39 h ALA 28 Cb 0.52 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2k39 h ALA 28 CO -0.30 0.22 -0.70 0.87 0.00 0.00 0.00 179.25 179.35 2k39 h LYS 29 N 0.97 0.00 -0.40 0.00 1.57 -1.03 -2.83 116.57 114.85 2k39 h LYS 29 Ca 0.47 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.22 2k39 h LYS 29 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2k39 h LYS 29 CO -0.25 0.70 0.12 0.82 -0.57 0.00 0.00 179.45 180.27 2k39 h ILE 30 N 0.00 1.17 -0.73 1.86 2.04 -1.19 -0.41 117.51 120.25 2k39 h ILE 30 Ca -0.01 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.29 2k39 h ILE 30 Cb 1.41 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 2k39 h ILE 30 CO 0.09 0.22 0.47 -0.61 0.00 0.00 0.00 178.15 178.32 2k39 h GLN 31 N 0.57 0.89 -0.04 2.37 4.15 -1.02 0.29 115.11 122.33 2k39 h GLN 31 Ca 0.14 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 2k39 h GLN 31 Cb 0.18 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2k39 h GLN 31 CO -0.01 0.59 -0.24 0.22 -1.93 0.00 0.00 178.83 177.47 2k39 h ASP 32 N 0.92 0.28 -0.35 -0.69 3.58 -1.38 0.03 116.42 118.80 2k39 h ASP 32 Ca 0.29 -0.67 -0.13 0.00 0.42 0.00 0.00 57.03 56.94 2k39 h ASP 32 Cb -0.01 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2k39 h ASP 32 CO -0.10 0.91 -0.27 0.11 -2.88 0.00 0.00 179.24 177.01 2k39 h LYS 33 N -0.33 0.87 0.00 0.28 6.56 -1.10 -3.41 116.57 119.44 2k39 h LYS 33 Ca -0.02 -0.38 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 2k39 h LYS 33 Cb 0.91 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.55 2k39 h LYS 33 CO 0.05 1.03 -0.46 0.39 -2.06 0.00 0.00 179.45 178.39 2k39 n GLU 34 N -4.09 2.91 0.00 3.15 -0.58 0.06 -5.07 120.64 117.01 2k39 n GLU 34 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2k39 n GLU 34 Cb 0.47 -0.70 0.00 0.00 -0.57 0.00 0.00 31.44 30.64 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 1.23 3.33 3.63 0.62 0.00 -0.00 -4.94 105.19 109.05 2k39 n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.75 4.85 0.52 -0.61 1.01 -1.26 -4.84 121.20 118.13 2k39 s ILE 36 Ca 0.00 1.35 -0.19 0.00 0.00 0.00 0.00 60.65 61.81 2k39 s ILE 36 Cb 0.00 -4.09 -0.11 0.00 0.01 0.00 0.00 42.46 38.27 2k39 s ILE 36 CO 0.00 -0.11 0.34 -2.65 0.00 0.00 0.00 174.94 172.52 2k39 n PRO 37 N 6.02 0.37 0.09 2.79 -0.02 -1.26 -3.90 135.00 139.08 2k39 n PRO 37 Ca 0.04 0.14 -0.01 0.00 -2.02 0.00 0.00 63.50 61.65 2k39 n PRO 37 Cb 0.48 -1.46 0.25 0.00 -0.02 0.00 0.00 33.50 32.75 2k39 n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2k39 h PRO 38 N 0.26 0.26 -1.00 0.52 0.13 -1.95 -2.68 132.00 127.53 2k39 h PRO 38 Ca -0.43 -0.11 0.25 0.00 -0.87 0.00 0.00 66.00 64.84 2k39 h PRO 38 Cb 1.41 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.45 2k39 h PRO 38 CO 0.46 0.58 0.65 0.22 -0.23 0.00 0.00 178.00 179.68 2k39 h ASP 39 N 0.22 0.44 -0.01 1.44 1.82 -1.99 -3.18 116.42 115.15 2k39 h ASP 39 Ca 0.03 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2k39 h ASP 39 Cb 0.73 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.73 2k39 h ASP 39 CO 0.06 0.12 -0.53 0.00 -1.61 0.00 0.00 179.24 177.27 2k39 n GLN 40 N -4.58 1.20 -3.08 0.28 6.02 -1.01 -4.90 117.38 111.30 2k39 n GLN 40 Ca 0.23 -0.78 -0.38 0.00 -0.01 0.00 0.00 57.00 56.07 2k39 n GLN 40 Cb 0.82 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 30.60 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 -2.42 4.40 -0.37 -1.09 -0.21 -1.21 0.93 119.66 119.69 2k39 s GLN 41 Ca 0.15 0.98 0.01 0.00 0.02 0.00 0.00 55.36 56.53 2k39 s GLN 41 Cb 0.16 -3.14 0.11 0.00 1.00 0.00 0.00 33.01 31.14 2k39 s GLN 41 CO 0.58 0.53 0.15 0.50 -2.12 0.00 0.00 175.29 174.93 2k39 s ARG 42 N -1.39 1.14 -0.45 2.91 3.52 0.14 -4.51 118.95 120.32 2k39 s ARG 42 Ca 0.36 -1.65 -0.27 0.00 -0.13 0.00 0.00 55.73 54.05 2k39 s ARG 42 Cb -0.20 -2.42 0.03 0.00 -1.56 0.00 0.00 34.95 30.79 2k39 s ARG 42 CO 0.23 -1.05 1.02 -0.51 -0.81 0.00 0.00 175.30 174.19 2k39 s LEU 43 N 0.92 3.84 0.04 -0.88 1.43 -1.26 -2.58 118.68 120.20 2k39 s LEU 43 Ca 0.13 0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.71 2k39 s LEU 43 Cb -0.21 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2k39 s LEU 43 CO -0.11 -1.10 -0.24 -0.63 0.23 0.00 0.00 176.35 174.50 2k39 s ILE 44 N 4.00 2.34 -0.04 -0.59 1.01 -0.82 -1.63 121.20 125.48 2k39 s ILE 44 Ca 0.42 -1.30 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 2k39 s ILE 44 Cb -0.09 -1.93 0.03 0.00 0.01 0.00 0.00 42.46 40.48 2k39 s ILE 44 CO 0.27 0.37 0.06 0.12 0.00 0.00 0.00 174.94 175.76 2k39 s PHE 45 N -0.83 0.03 -0.85 3.97 5.36 -1.05 -0.58 117.98 124.03 2k39 s PHE 45 Ca 0.12 0.26 -0.06 0.00 -0.96 0.00 0.00 56.93 56.29 2k39 s PHE 45 Cb -0.10 -0.38 0.06 0.00 -0.34 0.00 0.00 43.02 42.25 2k39 s PHE 45 CO 0.03 -0.17 0.23 0.00 -1.46 0.00 0.00 175.22 173.85 2k39 n ALA 46 N 4.95 -1.01 0.00 11.12 0.00 -1.26 -1.33 120.51 132.98 2k39 n ALA 46 Ca -0.11 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k39 n ALA 46 Cb 0.50 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.83 1.76 3.67 0.00 0.00 -1.26 -5.06 105.19 103.47 2k39 n GLY 47 Ca -0.01 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 4.30 -0.44 1.61 1.02 -0.44 -5.02 119.74 120.77 2k39 s LYS 48 Ca 0.00 1.43 -0.29 0.00 0.02 0.00 0.00 55.97 57.13 2k39 s LYS 48 Cb 0.00 -3.63 0.03 0.00 -0.52 0.00 0.00 37.83 33.71 2k39 s LYS 48 CO 0.00 -0.55 1.15 -0.65 -0.92 0.00 0.00 175.35 174.38 2k39 s GLN 49 N 2.89 3.78 -0.11 1.68 -0.21 -1.26 -2.53 119.66 123.90 2k39 s GLN 49 Ca 0.47 0.71 -0.30 0.00 0.02 0.00 0.00 55.36 56.26 2k39 s GLN 49 Cb -0.17 -3.88 -0.02 0.00 1.00 0.00 0.00 33.01 29.93 2k39 s GLN 49 CO 0.11 -1.30 1.21 -0.51 -2.12 0.00 0.00 175.29 172.68 2k39 s LEU 50 N 4.38 4.23 0.18 2.90 1.43 -0.65 -4.98 118.68 126.17 2k39 s LEU 50 Ca 0.49 1.74 -0.05 0.00 -1.03 0.00 0.00 54.13 55.28 2k39 s LEU 50 Cb -0.09 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 2k39 s LEU 50 CO 0.29 -0.65 0.42 -1.61 0.23 0.00 0.00 176.35 175.02 2k39 s GLU 51 N 2.75 3.63 0.17 1.70 2.02 -1.26 -4.76 118.70 122.95 2k39 s GLU 51 Ca 0.55 -0.08 -0.27 0.00 0.02 0.00 0.00 54.97 55.20 2k39 s GLU 51 Cb -0.23 -2.80 -0.08 0.00 0.10 0.00 0.00 34.13 31.12 2k39 s GLU 51 CO 0.18 0.41 0.82 -0.51 0.02 0.00 0.00 175.26 176.19 2k39 s ASP 52 N -2.60 7.45 0.00 -0.19 1.01 -1.26 -3.99 116.67 117.09 2k39 s ASP 52 Ca 0.42 1.71 0.00 0.00 0.71 0.00 0.00 52.55 55.39 2k39 s ASP 52 Cb -0.12 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2k39 s ASP 52 CO 0.25 0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.41 2k39 n GLY 53 N 1.66 3.14 3.78 0.21 0.00 -1.26 -5.01 105.19 107.70 2k39 n GLY 53 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.72 4.13 0.36 1.61 1.81 -1.26 -4.83 118.95 120.05 2k39 s ARG 54 Ca 0.00 1.65 -0.26 0.00 -1.72 0.00 0.00 55.73 55.40 2k39 s ARG 54 Cb 0.00 -2.62 -0.09 0.00 -0.45 0.00 0.00 34.95 31.79 2k39 s ARG 54 CO 0.00 -0.20 1.05 0.95 -0.68 0.00 0.00 175.30 176.42 2k39 s THR 55 N -1.54 3.72 0.38 0.02 -4.23 -1.26 -0.97 115.64 111.76 2k39 s THR 55 Ca 0.57 1.44 0.18 0.00 -1.18 0.00 0.00 61.69 62.69 2k39 s THR 55 Cb -0.26 -3.80 0.38 0.00 1.34 0.00 0.00 72.50 70.16 2k39 s THR 55 CO 0.32 0.12 1.72 -0.07 -0.54 0.00 0.00 174.62 176.18 2k39 h LEU 56 N 2.94 0.48 -1.16 4.79 3.38 -1.27 -0.33 115.31 124.14 2k39 h LEU 56 Ca -0.48 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 2k39 h LEU 56 Cb 1.21 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2k39 h LEU 56 CO 0.64 0.01 -0.38 -1.28 0.09 0.00 0.00 178.44 177.52 2k39 h SER 57 N 0.38 0.08 0.35 -0.43 0.87 -1.31 -2.51 113.55 110.98 2k39 h SER 57 Ca 0.66 -0.03 -0.26 0.00 -1.23 0.00 0.00 61.79 60.93 2k39 h SER 57 Cb 1.63 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 63.58 2k39 h SER 57 CO -0.40 0.45 -1.12 -0.78 -0.53 0.00 0.00 176.83 174.45 2k39 h ASP 58 N 0.07 0.62 0.80 6.23 3.58 -1.43 -2.96 116.42 123.32 2k39 h ASP 58 Ca 0.01 -0.56 -0.01 0.00 0.42 0.00 0.00 57.03 56.88 2k39 h ASP 58 Cb 0.70 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 2k39 h ASP 58 CO 0.05 1.39 -0.04 1.88 -2.88 0.00 0.00 179.24 179.64 2k39 h TYR 59 N 0.20 0.00 -0.65 0.28 0.05 -1.07 -3.48 116.97 112.30 2k39 h TYR 59 Ca -0.13 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.53 2k39 h TYR 59 Cb 1.80 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.52 2k39 h TYR 59 CO 0.08 0.04 -0.13 0.09 -1.05 0.00 0.00 178.16 177.19 2k39 n ASN 60 N -3.18 -2.75 -4.61 3.88 4.13 -0.97 -5.03 115.26 106.73 2k39 n ASN 60 Ca -0.00 0.04 -0.43 0.00 1.68 0.00 0.00 54.58 55.87 2k39 n ASN 60 Cb 0.28 -1.70 -0.02 0.00 -1.54 0.00 0.00 39.78 36.79 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2k39 s ILE 61 N -2.26 4.38 0.48 2.41 -1.09 -1.03 -5.04 121.20 119.04 2k39 s ILE 61 Ca 0.00 1.31 -0.12 0.00 -2.23 0.00 0.00 60.65 59.61 2k39 s ILE 61 Cb 0.00 -4.49 -0.06 0.00 -1.58 0.00 0.00 42.46 36.32 2k39 s ILE 61 CO 0.00 -0.77 0.88 -1.10 -1.23 0.00 0.00 174.94 172.72 2k39 s GLN 62 N 4.01 3.80 0.01 2.79 -1.52 -1.26 -4.76 119.66 122.73 2k39 s GLN 62 Ca 0.45 0.66 -0.37 0.00 -1.95 0.00 0.00 55.36 54.15 2k39 s GLN 62 Cb -0.10 -2.26 -0.16 0.00 -0.22 0.00 0.00 33.01 30.28 2k39 s GLN 62 CO 0.25 -0.20 1.49 0.36 -0.25 0.00 0.00 175.29 176.93 2k39 n LYS 63 N -1.65 1.35 -2.61 2.91 -0.00 -1.26 -3.16 118.16 113.73 2k39 n LYS 63 Ca 0.04 0.49 -0.16 0.00 -0.00 0.00 0.00 58.31 58.68 2k39 n LYS 63 Cb 0.54 -2.17 0.01 0.00 -0.00 0.00 0.00 35.03 33.41 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 3.48 -2.71 -1.99 -1.58 0.28 -0.08 -5.01 120.64 113.03 2k39 n GLU 64 Ca 0.20 0.71 -0.32 0.00 -0.16 0.00 0.00 57.16 57.59 2k39 n GLU 64 Cb 0.20 -5.09 0.01 0.00 1.43 0.00 0.00 31.44 28.00 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2k39 s SER 65 N -2.59 5.76 -0.34 -1.84 0.01 -1.19 -4.84 113.70 108.68 2k39 s SER 65 Ca 0.14 1.78 -0.00 0.00 1.31 0.00 0.00 55.95 59.17 2k39 s SER 65 Cb -0.06 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.73 2k39 s SER 65 CO 0.17 -1.18 0.06 -0.89 0.41 0.00 0.00 173.24 171.81 2k39 s THR 66 N -2.55 2.80 0.33 1.44 2.01 -1.26 -0.85 115.64 117.57 2k39 s THR 66 Ca 0.63 -1.87 0.01 0.00 0.31 0.00 0.00 61.69 60.77 2k39 s THR 66 Cb -0.15 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 2k39 s THR 66 CO 0.39 -0.40 0.53 -0.76 -0.69 0.00 0.00 174.62 173.69 2k39 s LEU 67 N 1.11 4.04 -0.10 4.42 1.02 -0.37 -4.86 118.68 123.95 2k39 s LEU 67 Ca 0.03 0.42 -0.01 0.00 0.02 0.00 0.00 54.13 54.59 2k39 s LEU 67 Cb -0.21 -3.28 -0.03 0.00 0.02 0.00 0.00 46.19 42.70 2k39 s LEU 67 CO -0.04 -0.27 -0.05 -1.00 0.02 0.00 0.00 176.35 175.01 2k39 s HIS 68 N -2.27 3.01 -0.26 0.29 3.76 0.25 -0.99 115.29 119.08 2k39 s HIS 68 Ca 0.39 -0.06 -0.06 0.00 -0.15 0.00 0.00 55.06 55.19 2k39 s HIS 68 Cb -0.10 -1.81 -0.00 0.00 1.11 0.00 0.00 32.58 31.78 2k39 s HIS 68 CO 0.35 0.23 0.04 -1.17 -0.85 0.00 0.00 174.74 173.35 2k39 s LEU 69 N -0.43 3.47 0.03 0.89 2.96 -0.32 -1.94 118.68 123.33 2k39 s LEU 69 Ca 0.07 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 2k39 s LEU 69 Cb -0.12 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 2k39 s LEU 69 CO 0.02 -0.10 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.17 2k39 s VAL 70 N 1.52 3.48 -0.19 1.68 1.01 -1.06 -2.51 120.40 124.32 2k39 s VAL 70 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 2k39 s VAL 70 Cb -0.16 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 2k39 s VAL 70 CO 0.01 0.33 1.09 -0.76 0.00 0.00 0.00 175.10 175.77 2k39 s LEU 71 N -1.57 4.15 0.53 3.92 1.02 -1.26 -0.68 118.68 124.78 2k39 s LEU 71 Ca 0.18 1.49 0.34 0.00 0.02 0.00 0.00 54.13 56.16 2k39 s LEU 71 Cb -0.11 -3.54 1.50 0.00 0.02 0.00 0.00 46.19 44.06 2k39 s LEU 71 CO 0.09 -0.65 2.01 -0.09 0.02 0.00 0.00 176.35 177.72 2k39 h ARG 72 N 7.56 0.00 -3.92 1.70 1.12 0.32 -3.44 114.38 117.71 2k39 h ARG 72 Ca -0.23 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.54 2k39 h ARG 72 Cb 1.09 0.00 -0.15 0.00 -0.01 0.00 0.00 29.97 30.90 2k39 h ARG 72 CO 0.96 0.00 -0.47 -0.48 -3.11 0.00 0.00 179.97 176.86 2k39 s LEU 73 N -5.90 1.76 0.00 3.80 -0.00 -1.25 -5.02 118.68 112.06 2k39 s LEU 73 Ca 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 54.13 53.40 2k39 s LEU 73 Cb 0.10 0.76 0.00 0.00 -0.00 0.00 0.00 46.19 47.04 2k39 s LEU 73 CO 0.49 -0.67 0.00 0.54 -0.00 0.00 0.00 176.35 176.71 2k39 n ARG 74 N 0.08 2.50 0.00 1.48 1.74 -1.26 -5.04 116.66 116.15 2k39 n ARG 74 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2k39 n ARG 74 Cb 0.62 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k39 n GLY 75 N 2.40 3.43 0.00 -0.13 0.00 -1.26 -5.26 105.19 104.36 2k39 n GLY 75 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93